smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccon1 ZINC001496744003 1101384784 /nfs/dbraw/zinc/38/47/84/1101384784.db2.gz IPUMQCOBDRCIKW-UHFFFAOYSA-N 1 0 346.387 2.106 10 5 EEBERO C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC001452719915 1105661823 /nfs/dbraw/zinc/66/18/23/1105661823.db2.gz APRLWZBVHDKYMS-UPJWGTAASA-N 1 0 335.379 2.248 10 5 EEBERO Nc1cc(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)cc[nH+]1 ZINC001457430678 1109595690 /nfs/dbraw/zinc/59/56/90/1109595690.db2.gz UDFCKGDVSQVUIP-UHFFFAOYSA-N 1 0 332.335 2.464 10 5 EEBERO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001458666458 1109928060 /nfs/dbraw/zinc/92/80/60/1109928060.db2.gz KCERHTWSNGUWCF-SNVBAGLBSA-N 1 0 348.790 2.364 10 5 EEBERO COCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001501683910 1113433605 /nfs/dbraw/zinc/43/36/05/1113433605.db2.gz FPWZLTGDJWLEHV-CTYIDZIISA-N 1 0 335.404 2.006 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001529267891 1121384084 /nfs/dbraw/zinc/38/40/84/1121384084.db2.gz JSCZJZFGSWYJCX-AEGPPILISA-N 1 0 344.415 2.239 10 5 EEBERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001540940484 1124097089 /nfs/dbraw/zinc/09/70/89/1124097089.db2.gz RENRZCXDULVNSK-NXEZZACHSA-N 1 0 343.815 2.069 10 5 EEBERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001543664251 1124132979 /nfs/dbraw/zinc/13/29/79/1124132979.db2.gz LTHOSCYMBOUFBL-OPRDCNLKSA-N 1 0 343.815 2.068 10 5 EEBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]12 ZINC000186919283 201694307 /nfs/dbraw/zinc/69/43/07/201694307.db2.gz SACAMXGZXWNIFY-ZEGGKSINSA-N 1 0 343.305 2.423 10 5 EEBERO C[C@@]1(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000079515451 202434946 /nfs/dbraw/zinc/43/49/46/202434946.db2.gz KDZGSPWKDJMULZ-LBPRGKRZSA-N 1 0 328.166 2.438 10 5 EEBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451258909 243052133 /nfs/dbraw/zinc/05/21/33/243052133.db2.gz XAWUCTIPOXGXGX-GXTWGEPZSA-N 1 0 332.360 2.238 10 5 EEBERO CC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000174532541 207027894 /nfs/dbraw/zinc/02/78/94/207027894.db2.gz UBVUUHMEGFRYSE-GFCCVEGCSA-N 1 0 330.388 2.490 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@]1(CCO)CCOC1)C1CC1 ZINC000125475625 143742681 /nfs/dbraw/zinc/74/26/81/143742681.db2.gz GYPRCPRMOWHOPI-WMZOPIPTSA-N 1 0 334.416 2.295 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000249264197 160377333 /nfs/dbraw/zinc/37/73/33/160377333.db2.gz IJUUOQGZRSUNMZ-YPMHNXCESA-N 1 0 334.376 2.304 10 5 EEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188823323 160129604 /nfs/dbraw/zinc/12/96/04/160129604.db2.gz LHVYMINNTYDFCW-GFCCVEGCSA-N 1 0 335.429 2.382 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000245443679 160235431 /nfs/dbraw/zinc/23/54/31/160235431.db2.gz XKBPXFAHIQCNRF-ZBFHGGJFSA-N 1 0 346.431 2.400 10 5 EEBERO CCOCC[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000247385384 160323333 /nfs/dbraw/zinc/32/33/33/160323333.db2.gz WKPNBCYVBSTIFI-OAHLLOKOSA-N 1 0 337.420 2.016 10 5 EEBERO COc1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352541529 162178578 /nfs/dbraw/zinc/17/85/78/162178578.db2.gz YXGMLUHOZLNEDV-INIZCTEOSA-N 1 0 349.431 2.290 10 5 EEBERO C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000157337730 292567180 /nfs/dbraw/zinc/56/71/80/292567180.db2.gz HPYVHUPFHYUGES-UPJWGTAASA-N 1 0 332.404 2.136 10 5 EEBERO Cc1cc(N2CCO[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274367033 269028122 /nfs/dbraw/zinc/02/81/22/269028122.db2.gz FNATZOWJBLBCMP-QGZVFWFLSA-N 1 0 329.356 2.447 10 5 EEBERO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCO1 ZINC000130449304 278342412 /nfs/dbraw/zinc/34/24/12/278342412.db2.gz ZLMDSPPEVXYGBX-YGRLFVJLSA-N 1 0 325.340 2.220 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414333059 312999770 /nfs/dbraw/zinc/99/97/70/312999770.db2.gz HFDOUKKNUTVCDO-VNHYZAJKSA-N 1 0 335.404 2.453 10 5 EEBERO CCC[NH2+]CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689823 313167320 /nfs/dbraw/zinc/16/73/20/313167320.db2.gz DGCVKOXHYFPXTF-UHFFFAOYSA-N 1 0 345.197 2.478 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000566259201 319266005 /nfs/dbraw/zinc/26/60/05/319266005.db2.gz QLHOJJJWWCCDPP-KRWDZBQOSA-N 1 0 325.368 2.222 10 5 EEBERO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)c1 ZINC000576238015 320153959 /nfs/dbraw/zinc/15/39/59/320153959.db2.gz QKHLTJHCOUPANV-CQSZACIVSA-N 1 0 340.383 2.387 10 5 EEBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCn3ccnn3)cs2)c1 ZINC000184246299 323421486 /nfs/dbraw/zinc/42/14/86/323421486.db2.gz IUPFZTKJVOGNCT-UHFFFAOYSA-N 1 0 344.400 2.490 10 5 EEBERO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000380356723 323522305 /nfs/dbraw/zinc/52/23/05/323522305.db2.gz AAAWEQXRPDWNIG-AOOOYVTPSA-N 1 0 341.209 2.188 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000296028146 465056252 /nfs/dbraw/zinc/05/62/52/465056252.db2.gz ZNZRUGNRWBYLJY-UKRRQHHQSA-N 1 0 347.415 2.499 10 5 EEBERO CC[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000117307619 462799202 /nfs/dbraw/zinc/79/92/02/462799202.db2.gz RQUVLCMVXNTBCG-FSNWXROXSA-N 1 0 347.415 2.177 10 5 EEBERO C[NH+](C)C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000028881585 463235642 /nfs/dbraw/zinc/23/56/42/463235642.db2.gz LZSFQBBAUGUHGR-QGZVFWFLSA-N 1 0 343.383 2.393 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171218014 463816598 /nfs/dbraw/zinc/81/65/98/463816598.db2.gz WOIXZWAHEPINQP-ZDUSSCGKSA-N 1 0 348.403 2.002 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261789966 463861547 /nfs/dbraw/zinc/86/15/47/463861547.db2.gz UIRDMKZRLUHOIF-UHFFFAOYSA-N 1 0 330.319 2.335 10 5 EEBERO CC[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181546489 464504943 /nfs/dbraw/zinc/50/49/43/464504943.db2.gz CPJUSTQJPJBHEW-IKGGRYGDSA-N 1 0 338.404 2.192 10 5 EEBERO O=[N+]([O-])c1ccn(CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000176245872 464731242 /nfs/dbraw/zinc/73/12/42/464731242.db2.gz CIIYBLYFNFYTTA-INIZCTEOSA-N 1 0 335.452 2.379 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599935410 468417175 /nfs/dbraw/zinc/41/71/75/468417175.db2.gz QMYKQGBLPKDRRZ-JKSUJKDBSA-N 1 0 332.404 2.409 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000252443699 464956482 /nfs/dbraw/zinc/95/64/82/464956482.db2.gz NVNXHVOZHUHUJR-GDBMZVCRSA-N 1 0 346.431 2.400 10 5 EEBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1(C[NH3+])CC1 ZINC000593914108 468431349 /nfs/dbraw/zinc/43/13/49/468431349.db2.gz HJAATABBKQAAIJ-SNVBAGLBSA-N 1 0 341.795 2.261 10 5 EEBERO C[NH2+]Cc1ccccc1CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000593914712 468431609 /nfs/dbraw/zinc/43/16/09/468431609.db2.gz PEDJPUWJSJMQTQ-UHFFFAOYSA-N 1 0 342.399 2.067 10 5 EEBERO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000371282786 465685684 /nfs/dbraw/zinc/68/56/84/465685684.db2.gz IAARPROXACHABT-UHFFFAOYSA-N 1 0 340.383 2.445 10 5 EEBERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299508958 465780561 /nfs/dbraw/zinc/78/05/61/465780561.db2.gz BBFADOYJXCDVIM-JKSUJKDBSA-N 1 0 328.372 2.433 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1CS(=O)(=O)C1)CCCC2 ZINC000591348143 468455294 /nfs/dbraw/zinc/45/52/94/468455294.db2.gz YIDPYRYETZLXAH-INIZCTEOSA-N 1 0 338.429 2.387 10 5 EEBERO C[NH+](C)C1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000301160568 465912418 /nfs/dbraw/zinc/91/24/18/465912418.db2.gz BLZQLBOPUGFKFB-UHFFFAOYSA-N 1 0 332.404 2.017 10 5 EEBERO CN(CC1CC[NH+](C)CC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331104492 465934513 /nfs/dbraw/zinc/93/45/13/465934513.db2.gz FORXCRFIKINENX-UHFFFAOYSA-N 1 0 341.358 2.216 10 5 EEBERO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cccc1[N+](=O)[O-] ZINC000367413290 466321131 /nfs/dbraw/zinc/32/11/31/466321131.db2.gz QYEHKOJAZVSQOH-XJKSGUPXSA-N 1 0 347.415 2.334 10 5 EEBERO Cn1nccc1C1=CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000367531198 466396567 /nfs/dbraw/zinc/39/65/67/466396567.db2.gz MSGAFWVUYLJROO-UHFFFAOYSA-N 1 0 328.372 2.496 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000340889934 466411303 /nfs/dbraw/zinc/41/13/03/466411303.db2.gz YWVZOPZNZNAUMU-LBPRGKRZSA-N 1 0 333.392 2.043 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000341055016 466545709 /nfs/dbraw/zinc/54/57/09/466545709.db2.gz HKEJSFRMVADNDI-GHMZBOCLSA-N 1 0 338.383 2.309 10 5 EEBERO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000372804192 466595679 /nfs/dbraw/zinc/59/56/79/466595679.db2.gz FEWIRSGPFVZHSI-GJZGRUSLSA-N 1 0 347.415 2.484 10 5 EEBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000408516308 466673290 /nfs/dbraw/zinc/67/32/90/466673290.db2.gz ATVFNSLGDUIDMM-HOTGVXAUSA-N 1 0 347.415 2.487 10 5 EEBERO O=C(CCN1CCOC[C@@H]1CC(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411721306 466885999 /nfs/dbraw/zinc/88/59/99/466885999.db2.gz HZWDZXQWYLXENU-ZDUSSCGKSA-N 1 0 343.330 2.279 10 5 EEBERO Cc1cnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])c1 ZINC000407996652 467492091 /nfs/dbraw/zinc/49/20/91/467492091.db2.gz SITKYEAQVOPGEV-XYPWUTKMSA-N 1 0 345.447 2.045 10 5 EEBERO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000449357150 467633317 /nfs/dbraw/zinc/63/33/17/467633317.db2.gz BUGJKUVIHQEHNK-CYBMUJFWSA-N 1 0 332.381 2.256 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590445674 468259318 /nfs/dbraw/zinc/25/93/18/468259318.db2.gz RIVIKFFHZRGSIR-ZOWXZIJZSA-N 1 0 335.429 2.238 10 5 EEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590446583 468259836 /nfs/dbraw/zinc/25/98/36/468259836.db2.gz UWFAHOGXNSICRD-SMDDNHRTSA-N 1 0 335.429 2.483 10 5 EEBERO Nc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600472056 468567797 /nfs/dbraw/zinc/56/77/97/468567797.db2.gz MKFOARGEAHEUPM-GFCCVEGCSA-N 1 0 336.367 2.063 10 5 EEBERO C[NH2+]C1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000582905804 468615156 /nfs/dbraw/zinc/61/51/56/468615156.db2.gz SFCKFOGHOJHWTA-UHFFFAOYSA-N 1 0 346.431 2.022 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000595046312 468747980 /nfs/dbraw/zinc/74/79/80/468747980.db2.gz PCBGUUVYSWFSNR-SJKOYZFVSA-N 1 0 338.404 2.432 10 5 EEBERO C[C@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1=CC[N@H+](C)CC1 ZINC000601139639 468757931 /nfs/dbraw/zinc/75/79/31/468757931.db2.gz LCTIESDYMYIGQN-QMMMGPOBSA-N 1 0 333.314 2.409 10 5 EEBERO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCNc1ccccc1[N+](=O)[O-] ZINC000595248373 468792942 /nfs/dbraw/zinc/79/29/42/468792942.db2.gz FADKSSYITSWYDW-MRXNPFEDSA-N 1 0 340.383 2.358 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595258226 468795640 /nfs/dbraw/zinc/79/56/40/468795640.db2.gz SWMZXGOFJHPNLJ-KRWDZBQOSA-N 1 0 341.367 2.437 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000593460367 468989579 /nfs/dbraw/zinc/98/95/79/468989579.db2.gz AKLPGTNVMCBPOV-MSOLQXFVSA-N 1 0 342.399 2.178 10 5 EEBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000601743583 469000845 /nfs/dbraw/zinc/00/08/45/469000845.db2.gz BTSWIZZBBWTHNE-UHFFFAOYSA-N 1 0 335.408 2.107 10 5 EEBERO O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779454 469005075 /nfs/dbraw/zinc/00/50/75/469005075.db2.gz FFONUSSCLNECTK-OLZOCXBDSA-N 1 0 339.779 2.080 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595781518 469006085 /nfs/dbraw/zinc/00/60/85/469006085.db2.gz LMWWLJDLSUBDQC-LSDHHAIUSA-N 1 0 333.388 2.125 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N(C)[C@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595907302 469076730 /nfs/dbraw/zinc/07/67/30/469076730.db2.gz IEFJRWXTTMQNSB-JOYOIKCWSA-N 1 0 348.325 2.052 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@H]3CCCO3)o2)cc1 ZINC000598989779 469079316 /nfs/dbraw/zinc/07/93/16/469079316.db2.gz AAQNHMHNDNDHFT-NVXWUHKLSA-N 1 0 332.356 2.484 10 5 EEBERO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Cc1ccccc1 ZINC000586980935 469083565 /nfs/dbraw/zinc/08/35/65/469083565.db2.gz ZKEAEQQNCIAPDL-MRXNPFEDSA-N 1 0 344.415 2.254 10 5 EEBERO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000599004513 469084598 /nfs/dbraw/zinc/08/45/98/469084598.db2.gz RYGZVXPFRIPREH-XYPYZODXSA-N 1 0 345.355 2.217 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595933568 469090622 /nfs/dbraw/zinc/09/06/22/469090622.db2.gz HMGBMVBWMYUSFP-HNNXBMFYSA-N 1 0 347.415 2.212 10 5 EEBERO CSc1ccc(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000601974047 469122231 /nfs/dbraw/zinc/12/22/31/469122231.db2.gz HWHCFKULLMBEAJ-IYBDPMFKSA-N 1 0 335.429 2.388 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000599141108 469133940 /nfs/dbraw/zinc/13/39/40/469133940.db2.gz WXRQNZCLCQXSQM-OAHLLOKOSA-N 1 0 342.399 2.993 10 5 EEBERO CC1(C)[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000596065159 469135381 /nfs/dbraw/zinc/13/53/81/469135381.db2.gz FDTRQWGEWSALBN-YPMHNXCESA-N 1 0 330.331 2.215 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c3NCC4)CC2)cn1 ZINC000563137699 469180189 /nfs/dbraw/zinc/18/01/89/469180189.db2.gz HESDHCILHLHPKW-UHFFFAOYSA-N 1 0 339.399 2.280 10 5 EEBERO CCOC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596308780 469239697 /nfs/dbraw/zinc/23/96/97/469239697.db2.gz UTGMYCOKBPMEIT-LLVKDONJSA-N 1 0 336.392 2.451 10 5 EEBERO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596315604 469241157 /nfs/dbraw/zinc/24/11/57/469241157.db2.gz ZOXKHHNYHQAEQP-UHFFFAOYSA-N 1 0 334.420 2.601 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000596360092 469249698 /nfs/dbraw/zinc/24/96/98/469249698.db2.gz HGAZYKVNCDOJBV-NSHDSACASA-N 1 0 327.404 2.000 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CNC1CC([NH+]3CCCCC3)C1)OCCO2 ZINC000619433592 469604978 /nfs/dbraw/zinc/60/49/78/469604978.db2.gz ZFNVIVLHUKTMMZ-UHFFFAOYSA-N 1 0 347.415 2.473 10 5 EEBERO CC(C)C[C@H](CO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189590694 528541149 /nfs/dbraw/zinc/54/11/49/528541149.db2.gz OOJXXHDGIRGOKV-CYBMUJFWSA-N 1 0 341.383 2.401 10 5 EEBERO CC[NH+](CC)CCO[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447692145 535549911 /nfs/dbraw/zinc/54/99/11/535549911.db2.gz ZATYLLSJDLVLCA-CQSZACIVSA-N 1 0 347.419 2.408 10 5 EEBERO COCC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000755264226 577822648 /nfs/dbraw/zinc/82/26/48/577822648.db2.gz VXQVGUYTFIOTSU-HECSCLNYSA-N 1 0 347.415 2.225 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928437153 683136784 /nfs/dbraw/zinc/13/67/84/683136784.db2.gz HAAYUPPVTTYTEM-KWQFWETISA-N 1 0 331.294 2.436 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721494 684699407 /nfs/dbraw/zinc/69/94/07/684699407.db2.gz BZFSAEKDVAPISI-WMHVBEDNSA-N 1 0 332.400 2.471 10 5 EEBERO COC1(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001266680193 1177182376 /nfs/dbraw/zinc/18/23/76/1177182376.db2.gz KFTNLSNIFBYJQJ-GASCZTMLSA-N 1 0 347.415 2.291 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]nc1C1CC1 ZINC001481297635 1180945652 /nfs/dbraw/zinc/94/56/52/1180945652.db2.gz FOMGGWCEIOXZHR-UHFFFAOYSA-N 1 0 343.387 2.057 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccn1 ZINC001268775466 1183693465 /nfs/dbraw/zinc/69/34/65/1183693465.db2.gz XHZDGCWEDKLJOR-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161125 1186667962 /nfs/dbraw/zinc/66/79/62/1186667962.db2.gz KAHVTQBPVIBLIX-RQJHMYQMSA-N 1 0 331.170 2.215 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccnn1CC ZINC001482919653 1187835561 /nfs/dbraw/zinc/83/55/61/1187835561.db2.gz PTPPYTQLVILZRB-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO O=C(Cc1cscn1)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001483066727 1188396916 /nfs/dbraw/zinc/39/69/16/1188396916.db2.gz CDAFJERJAUCHHF-OWOJBTEDSA-N 1 0 346.412 2.056 10 5 EEBERO Cc1cnoc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001483502232 1190517430 /nfs/dbraw/zinc/51/74/30/1190517430.db2.gz RHCJRWAQEGHCNG-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC1(C)[C@H]2[C@H](CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000872260737 1198117014 /nfs/dbraw/zinc/11/70/14/1198117014.db2.gz YIJURCPVWSBJCA-UAGQMJEPSA-N 1 0 347.415 2.405 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866206815 1201464760 /nfs/dbraw/zinc/46/47/60/1201464760.db2.gz FYEOHWQJLPNSHA-TZMCWYRMSA-N 1 0 333.388 2.220 10 5 EEBERO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000902906299 1239015445 /nfs/dbraw/zinc/01/54/45/1239015445.db2.gz SSBYSWQUIAQIJC-KBPBESRZSA-N 1 0 336.417 2.296 10 5 EEBERO O=[N+]([O-])c1cccc(F)c1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001197738828 1284783738 /nfs/dbraw/zinc/78/37/38/1284783738.db2.gz ILUMKWKPPYJUPD-UHFFFAOYSA-N 1 0 337.395 2.467 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001198685329 1285296980 /nfs/dbraw/zinc/29/69/80/1285296980.db2.gz IYTKUGGGMADADO-GDBMZVCRSA-N 1 0 333.388 2.227 10 5 EEBERO Cn1c(C(=O)N2C[C@H]([NH+](C)C)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000857929839 1293956871 /nfs/dbraw/zinc/95/68/71/1293956871.db2.gz CANKGCXEBYBHHJ-CQSZACIVSA-N 1 0 342.399 2.457 10 5 EEBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C(F)(F)F ZINC001276755031 1297424236 /nfs/dbraw/zinc/42/42/36/1297424236.db2.gz VWHMSAOGZKLMRW-QMMMGPOBSA-N 1 0 328.250 2.461 10 5 EEBERO Cc1sc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC000843456730 1315918632 /nfs/dbraw/zinc/91/86/32/1315918632.db2.gz QMESYSKHVAOLGP-UHFFFAOYSA-N 1 0 335.389 2.338 10 5 EEBERO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001153340645 1316814109 /nfs/dbraw/zinc/81/41/09/1316814109.db2.gz RNYFVHRXRJSXND-UHFFFAOYSA-N 1 0 340.339 2.426 10 5 EEBERO Cc1nc[nH]c1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001280546955 1324289437 /nfs/dbraw/zinc/28/94/37/1324289437.db2.gz DGDKLRLQKKPUSD-UHFFFAOYSA-N 1 0 343.387 2.069 10 5 EEBERO CN(C)c1cc[nH+]c(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC001288872071 1327969025 /nfs/dbraw/zinc/96/90/25/1327969025.db2.gz OAOYUBUGYHRZSL-VMPITWQZSA-N 1 0 326.356 2.385 10 5 EEBERO Nc1c(Cl)cc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC001290462543 1328205702 /nfs/dbraw/zinc/20/57/02/1328205702.db2.gz YEUFVNMWTKEVND-UHFFFAOYSA-N 1 0 338.795 2.187 10 5 EEBERO COc1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cc([N+](=O)[O-])c1C ZINC001299820297 1330168196 /nfs/dbraw/zinc/16/81/96/1330168196.db2.gz DXSGCJHCERJHBS-GJZGRUSLSA-N 1 0 335.404 2.370 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCc1ccncc1 ZINC001317603847 1332321386 /nfs/dbraw/zinc/32/13/86/1332321386.db2.gz SOCFAJYQLPGAHZ-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO CC(C)(NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001331799149 1335644827 /nfs/dbraw/zinc/64/48/27/1335644827.db2.gz ZMDUTKTURFSZRR-UHFFFAOYSA-N 1 0 347.415 2.057 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001335771183 1336424939 /nfs/dbraw/zinc/42/49/39/1336424939.db2.gz LCNIJRXXKHGSKG-UHFFFAOYSA-N 1 0 331.416 2.472 10 5 EEBERO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(Cc2c[nH]cn2)CC1 ZINC001350815393 1337757818 /nfs/dbraw/zinc/75/78/18/1337757818.db2.gz RBFDAOKSERBJDV-UHFFFAOYSA-N 1 0 328.372 2.342 10 5 EEBERO CC(C)(C)[NH2+]CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584059 1338725238 /nfs/dbraw/zinc/72/52/38/1338725238.db2.gz MTXDRQPVUCJZGB-UHFFFAOYSA-N 1 0 331.319 2.071 10 5 EEBERO C[C@@H]1CN(C(=[NH2+])NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000849093514 1338837437 /nfs/dbraw/zinc/83/74/37/1338837437.db2.gz XEFNCGJEOIFIPN-SNVBAGLBSA-N 1 0 326.784 2.036 10 5 EEBERO CC[N@H+](CCNC(=O)c1cncc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663372499 1354954819 /nfs/dbraw/zinc/95/48/19/1354954819.db2.gz JVZQFCCVNZEOMD-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CCCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001502648896 1342220609 /nfs/dbraw/zinc/22/06/09/1342220609.db2.gz WCNVYFVFUMXICY-IAGOWNOFSA-N 1 0 331.416 2.474 10 5 EEBERO Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001560139661 1342508737 /nfs/dbraw/zinc/50/87/37/1342508737.db2.gz FPMFQXAZGISTBW-LBPRGKRZSA-N 1 0 345.359 2.104 10 5 EEBERO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001643265082 1352744605 /nfs/dbraw/zinc/74/46/05/1352744605.db2.gz QCAFATYBWIJLBO-BRWVUGGUSA-N 1 0 331.416 2.165 10 5 EEBERO Cc1nn(C)c(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001652343086 1354088745 /nfs/dbraw/zinc/08/87/45/1354088745.db2.gz YBACKZVLIWEMHT-CYBMUJFWSA-N 1 0 335.795 2.441 10 5 EEBERO Nc1cc(CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001654069137 1354139975 /nfs/dbraw/zinc/13/99/75/1354139975.db2.gz ORCYYJXQKFUZTE-UHFFFAOYSA-N 1 0 328.372 2.254 10 5 EEBERO Cc1ccc(F)c(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c1 ZINC001660680736 1354515476 /nfs/dbraw/zinc/51/54/76/1354515476.db2.gz RTIOFNYRUHWVLD-NVXWUHKLSA-N 1 0 349.406 2.270 10 5 EEBERO CC1([NH2+]CCCc2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001673953995 1356765083 /nfs/dbraw/zinc/76/50/83/1356765083.db2.gz YCCQTOZSRDVVMT-IAGOWNOFSA-N 1 0 345.443 2.255 10 5 EEBERO COCC[N@H+](C)CCCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000785239228 761408318 /nfs/dbraw/zinc/40/83/18/761408318.db2.gz MMFLJLJIQAHPIQ-BUHFOSPRSA-N 1 0 335.404 2.083 10 5 EEBERO CC(C)CNC(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001167829723 776263948 /nfs/dbraw/zinc/26/39/48/776263948.db2.gz QQFFICUMSJUYBS-MRXNPFEDSA-N 1 0 349.431 2.303 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000908350443 785341822 /nfs/dbraw/zinc/34/18/22/785341822.db2.gz YUTUZLMQVKNVQM-DOMZBBRYSA-N 1 0 337.807 2.343 10 5 EEBERO Cc1noc(C)c1CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819143587 785421048 /nfs/dbraw/zinc/42/10/48/785421048.db2.gz IJVICRSKNYCDFU-OAHLLOKOSA-N 1 0 349.387 2.162 10 5 EEBERO C[C@@]1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[NH+]2CCC1CC2 ZINC000912384280 788135788 /nfs/dbraw/zinc/13/57/88/788135788.db2.gz VBPUXRCLBDSZNO-QGZVFWFLSA-N 1 0 328.372 2.290 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913282366 788759600 /nfs/dbraw/zinc/75/96/00/788759600.db2.gz GGEHCCZUMZQUKT-QZTJIDSGSA-N 1 0 331.416 2.328 10 5 EEBERO COCC[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844950439 789503631 /nfs/dbraw/zinc/50/36/31/789503631.db2.gz KSOHDELMOYIUPS-RMKNXTFCSA-N 1 0 347.415 2.177 10 5 EEBERO O=C(CCN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000923541382 789754286 /nfs/dbraw/zinc/75/42/86/789754286.db2.gz YFANKAFSNSHNDE-QGZVFWFLSA-N 1 0 332.404 2.141 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)o1 ZINC001171888027 796783315 /nfs/dbraw/zinc/78/33/15/796783315.db2.gz NPRSXKJFRGTXFG-KRWDZBQOSA-N 1 0 344.371 2.382 10 5 EEBERO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC001175631506 798172442 /nfs/dbraw/zinc/17/24/42/798172442.db2.gz MRSHYNLVWOMNKW-UHFFFAOYSA-N 1 0 339.348 2.130 10 5 EEBERO CC1([NH+]2CCC2)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000922174090 799653927 /nfs/dbraw/zinc/65/39/27/799653927.db2.gz HGIRZOUDWVDZNG-UHFFFAOYSA-N 1 0 347.415 2.451 10 5 EEBERO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([NH2+]C2CCC2)CC1 ZINC001180095262 800242295 /nfs/dbraw/zinc/24/22/95/800242295.db2.gz VRWAUNXLFJTXII-UHFFFAOYSA-N 1 0 343.387 2.218 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001497573292 1102685122 /nfs/dbraw/zinc/68/51/22/1102685122.db2.gz ODBHRUBVBQFEAZ-JRNHODHYSA-N 1 0 340.383 2.398 10 5 EEBERO Cc1noc(C[C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC001460859394 1110326892 /nfs/dbraw/zinc/32/68/92/1110326892.db2.gz ROHRVCMAGLZBAC-CJNGLKHVSA-N 1 0 346.387 2.274 10 5 EEBERO COC1CC[NH+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001465577848 1110419977 /nfs/dbraw/zinc/41/99/77/1110419977.db2.gz UFSKPEXACCVEIP-UHFFFAOYSA-N 1 0 341.795 2.089 10 5 EEBERO O=C(NC[C@@]12CC[N@H+](C1)CCC2)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC001521728451 1119273778 /nfs/dbraw/zinc/27/37/78/1119273778.db2.gz YOTNOBFNGDDCTL-QGZVFWFLSA-N 1 0 328.372 2.292 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)c[nH]1 ZINC001568489813 1124547109 /nfs/dbraw/zinc/54/71/09/1124547109.db2.gz SCHUBTXYRIOMBS-UHFFFAOYSA-N 1 0 334.351 2.266 10 5 EEBERO CCc1ncoc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001568915759 1124943818 /nfs/dbraw/zinc/94/38/18/1124943818.db2.gz HQYFSDCGOYXSNL-ONEGZZNKSA-N 1 0 344.371 2.221 10 5 EEBERO Cc1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000095974185 237052679 /nfs/dbraw/zinc/05/26/79/237052679.db2.gz WALFQYYKQRFDFJ-HNNXBMFYSA-N 1 0 334.420 2.379 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191272375 239007451 /nfs/dbraw/zinc/00/74/51/239007451.db2.gz SLQQFBZWUOYORY-STQMWFEESA-N 1 0 335.404 2.466 10 5 EEBERO C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2cccs2)c2ccccc2)C1 ZINC000001999537 201358760 /nfs/dbraw/zinc/35/87/60/201358760.db2.gz IGWCFPFGZULDHY-MAUKXSAKSA-N 1 0 332.445 2.376 10 5 in-man EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2CCC([NH3+])CC2)c1 ZINC000193249341 240078854 /nfs/dbraw/zinc/07/88/54/240078854.db2.gz IANGLFDCCYZOQE-UHFFFAOYSA-N 1 0 347.824 2.105 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000451913167 243311820 /nfs/dbraw/zinc/31/18/20/243311820.db2.gz SGGJWLCTHAOYSM-GWCFXTLKSA-N 1 0 334.294 2.219 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000247193395 243389023 /nfs/dbraw/zinc/38/90/23/243389023.db2.gz LJEDVBKSDQQXNW-KBPBESRZSA-N 1 0 333.388 2.059 10 5 EEBERO CCOC(=O)c1ccnc(N(C)C[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000175166830 207099343 /nfs/dbraw/zinc/09/93/43/207099343.db2.gz KUIYTKICHLJQBG-GFCCVEGCSA-N 1 0 336.392 2.087 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176881600 207271065 /nfs/dbraw/zinc/27/10/65/207271065.db2.gz WPQHLPXBRGVCSQ-CQSZACIVSA-N 1 0 349.431 2.068 10 5 EEBERO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000177146416 207298646 /nfs/dbraw/zinc/29/86/46/207298646.db2.gz HYVDMAKQAZQCRZ-GHMZBOCLSA-N 1 0 328.372 2.431 10 5 EEBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000109818952 159354084 /nfs/dbraw/zinc/35/40/84/159354084.db2.gz IREFPPNPYCJXBG-SFHVURJKSA-N 1 0 333.432 2.324 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186183452 160061704 /nfs/dbraw/zinc/06/17/04/160061704.db2.gz JTJGYOVSVRLSJU-UHFFFAOYSA-N 1 0 325.368 2.304 10 5 EEBERO O=C(C[N@H+]1CCCCC[C@@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000342066125 161036655 /nfs/dbraw/zinc/03/66/55/161036655.db2.gz NWWULHQDUYEIFO-OAHLLOKOSA-N 1 0 347.415 2.111 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352554560 162185192 /nfs/dbraw/zinc/18/51/92/162185192.db2.gz GWAYUGMFRZBBHG-CYBMUJFWSA-N 1 0 331.376 2.410 10 5 EEBERO Cc1cc(N2CCC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000369297703 166231526 /nfs/dbraw/zinc/23/15/26/166231526.db2.gz HAYXKIANJDECNG-ZDUSSCGKSA-N 1 0 335.433 2.457 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000274840923 269061742 /nfs/dbraw/zinc/06/17/42/269061742.db2.gz OKYHBNWZZKKJQK-CQSZACIVSA-N 1 0 345.403 2.162 10 5 EEBERO CCOCC[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1CC ZINC000188555095 276323535 /nfs/dbraw/zinc/32/35/35/276323535.db2.gz KWJYQHSWEQYCBZ-CQSZACIVSA-N 1 0 348.447 2.500 10 5 EEBERO C[NH+](C)C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000108951783 276807554 /nfs/dbraw/zinc/80/75/54/276807554.db2.gz PDXXSVJMHDYRNS-NSHDSACASA-N 1 0 333.310 2.380 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000360250853 278076939 /nfs/dbraw/zinc/07/69/39/278076939.db2.gz QFBRKUZFKDJPND-UHFFFAOYSA-N 1 0 329.360 2.028 10 5 EEBERO COC(=O)c1cnc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000302763938 311548642 /nfs/dbraw/zinc/54/86/42/311548642.db2.gz KYOFFXLHVIEYQM-UHFFFAOYSA-N 1 0 348.403 2.089 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000113270631 462584468 /nfs/dbraw/zinc/58/44/68/462584468.db2.gz LBASZBSIVVCKTC-IUODEOHRSA-N 1 0 343.387 2.313 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000123361605 463335512 /nfs/dbraw/zinc/33/55/12/463335512.db2.gz BUCSMBBKBNYHIZ-CHWSQXEVSA-N 1 0 334.420 2.216 10 5 EEBERO Cn1cc(C[NH2+]Cc2ccnn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171049776 463768476 /nfs/dbraw/zinc/76/84/76/463768476.db2.gz FQBVDEXNKQNZSC-UHFFFAOYSA-N 1 0 326.360 2.019 10 5 EEBERO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000178678455 463941571 /nfs/dbraw/zinc/94/15/71/463941571.db2.gz ADMJWRGCZIWHCJ-BXUZGUMPSA-N 1 0 329.360 2.453 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1C1(O)CC1 ZINC000590969256 468387019 /nfs/dbraw/zinc/38/70/19/468387019.db2.gz BMGNMJIXTHRRLI-CQSZACIVSA-N 1 0 333.388 2.221 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000284346632 464158122 /nfs/dbraw/zinc/15/81/22/464158122.db2.gz CNKKGBWOIPCOQI-AWEZNQCLSA-N 1 0 335.404 2.484 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000189139107 464441986 /nfs/dbraw/zinc/44/19/86/464441986.db2.gz TZGUFBJRWGJTNS-ZDUSSCGKSA-N 1 0 343.449 2.158 10 5 EEBERO O=C(CCN1CC[N@@H+]2CCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000246121931 464545927 /nfs/dbraw/zinc/54/59/27/464545927.db2.gz AYIXMZCCWTYELX-AWEZNQCLSA-N 1 0 332.404 2.094 10 5 EEBERO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000265509717 464585515 /nfs/dbraw/zinc/58/55/15/464585515.db2.gz KCBRITFIMXTVDX-UHFFFAOYSA-N 1 0 340.811 2.192 10 5 EEBERO COC(=O)c1cc(C)nc(NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000285678395 464656089 /nfs/dbraw/zinc/65/60/89/464656089.db2.gz PVZHBIFHTKQTHH-GFCCVEGCSA-N 1 0 348.359 2.393 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599934401 468417180 /nfs/dbraw/zinc/41/71/80/468417180.db2.gz LWFPROLWYGIKCY-LSDHHAIUSA-N 1 0 332.404 2.409 10 5 EEBERO O=C1[C@H]([NH2+][C@H](CO)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000183657681 464894692 /nfs/dbraw/zinc/89/46/92/464894692.db2.gz RCBPCHNCXXWIGQ-IAGOWNOFSA-N 1 0 341.367 2.023 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183874305 464921680 /nfs/dbraw/zinc/92/16/80/464921680.db2.gz ACECJLLUTVLVRC-KRWDZBQOSA-N 1 0 342.399 2.236 10 5 EEBERO CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@H]1CC[N@H+](C)C1 ZINC000597092092 468440564 /nfs/dbraw/zinc/44/05/64/468440564.db2.gz JSOJRPLSBPPAQI-JTQLQIEISA-N 1 0 341.799 2.388 10 5 EEBERO C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000338010817 465747888 /nfs/dbraw/zinc/74/78/88/465747888.db2.gz DPCWBGRXHDUOTP-ZDUSSCGKSA-N 1 0 338.371 2.464 10 5 EEBERO C[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000362566706 465837121 /nfs/dbraw/zinc/83/71/21/465837121.db2.gz ZCWJYAGTCZJVCU-LLVKDONJSA-N 1 0 341.358 2.264 10 5 EEBERO C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C(C)(C)C[NH+](C)C ZINC000301699372 466013565 /nfs/dbraw/zinc/01/35/65/466013565.db2.gz RPFVUBLRPOEQTC-SNVBAGLBSA-N 1 0 336.392 2.314 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3nc[nH]c3C2)n1 ZINC000353626491 466021305 /nfs/dbraw/zinc/02/13/05/466021305.db2.gz ILFVYZUKIPZEPI-NJZAAPMLSA-N 1 0 330.392 2.145 10 5 EEBERO COC(=O)COc1ccc(C[NH2+][C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000338473387 466155626 /nfs/dbraw/zinc/15/56/26/466155626.db2.gz DAESRLAKRGKUBI-CYBMUJFWSA-N 1 0 340.401 2.130 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccccc3)CCCC2)c1 ZINC000305769087 466457380 /nfs/dbraw/zinc/45/73/80/466457380.db2.gz JBQQRFDJHPNLSQ-MRXNPFEDSA-N 1 0 330.388 2.211 10 5 EEBERO CC(C)(CN1CCCC1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411873742 466922784 /nfs/dbraw/zinc/92/27/84/466922784.db2.gz NDHDAPXTRUKVDA-UHFFFAOYSA-N 1 0 334.420 2.387 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413101 467399815 /nfs/dbraw/zinc/39/98/15/467399815.db2.gz ZRDMDWWKIMHMDK-CABCVRRESA-N 1 0 346.431 2.306 10 5 EEBERO COc1cc(C[N@H+](C)CCN2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000434697565 467420648 /nfs/dbraw/zinc/42/06/48/467420648.db2.gz QDHHQLMQNRUADD-UHFFFAOYSA-N 1 0 337.420 2.146 10 5 EEBERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000392969892 467430040 /nfs/dbraw/zinc/43/00/40/467430040.db2.gz UMBQCCBXJFEILU-LDYMZIIASA-N 1 0 342.193 2.114 10 5 EEBERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000404601351 467476468 /nfs/dbraw/zinc/47/64/68/467476468.db2.gz ISWBCAWLIOMYAR-UHFFFAOYSA-N 1 0 349.412 2.101 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415313942 467541503 /nfs/dbraw/zinc/54/15/03/467541503.db2.gz IUERWLFYZSUTNQ-UHFFFAOYSA-N 1 0 348.403 2.010 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000589498432 468156394 /nfs/dbraw/zinc/15/63/94/468156394.db2.gz PQKDJNQKEGJLSQ-OAHLLOKOSA-N 1 0 333.388 2.050 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000589499421 468156989 /nfs/dbraw/zinc/15/69/89/468156989.db2.gz QMBHEYVFUDZMTD-OAHLLOKOSA-N 1 0 333.388 2.052 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597534637 468590736 /nfs/dbraw/zinc/59/07/36/468590736.db2.gz XCFCGMVBTWFROH-GHMZBOCLSA-N 1 0 343.330 2.409 10 5 EEBERO C[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594590810 468628936 /nfs/dbraw/zinc/62/89/36/468628936.db2.gz CIHLBSCIMASGAJ-MCIONIFRSA-N 1 0 344.415 3.053 10 5 EEBERO [NH3+][C@H]1CCCCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000600959190 468697283 /nfs/dbraw/zinc/69/72/83/468697283.db2.gz SMAXMDZMIHZWFQ-VIFPVBQESA-N 1 0 329.198 2.460 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592522697 468719759 /nfs/dbraw/zinc/71/97/59/468719759.db2.gz FIFANBAWNCHENX-IPJDOKCGSA-N 1 0 346.431 2.050 10 5 EEBERO CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[N@H+](C)C1 ZINC000597946963 468721317 /nfs/dbraw/zinc/72/13/17/468721317.db2.gz UAEYRDMMDWYMGZ-OAHLLOKOSA-N 1 0 330.388 2.102 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963218 468732130 /nfs/dbraw/zinc/73/21/30/468732130.db2.gz HVMSHSWRTAYWLK-XFJVYGCCSA-N 1 0 326.368 2.390 10 5 EEBERO C[C@@](CO)([NH2+]Cc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000601150065 468762617 /nfs/dbraw/zinc/76/26/17/468762617.db2.gz TYZWNVBFKRRZID-SFHVURJKSA-N 1 0 344.367 2.363 10 5 EEBERO C[NH2+]C[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000595232017 468789228 /nfs/dbraw/zinc/78/92/28/468789228.db2.gz OMSJLYWJBROMPH-ZETCQYMHSA-N 1 0 345.197 2.395 10 5 EEBERO Cc1cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])s1 ZINC000601291843 468813011 /nfs/dbraw/zinc/81/30/11/468813011.db2.gz OMNKHLSJZOINPQ-UHFFFAOYSA-N 1 0 349.478 2.362 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1 ZINC000593025777 468843759 /nfs/dbraw/zinc/84/37/59/468843759.db2.gz XXDFJIMXXRXFRH-SJKOYZFVSA-N 1 0 336.388 2.364 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000593383321 468958916 /nfs/dbraw/zinc/95/89/16/468958916.db2.gz FEWMTPVKSZUONV-UHFFFAOYSA-N 1 0 336.436 2.414 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000595932859 469089694 /nfs/dbraw/zinc/08/96/94/469089694.db2.gz CLTQXXDJMFWTQF-AWEZNQCLSA-N 1 0 347.415 2.455 10 5 EEBERO Nc1c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595935192 469090603 /nfs/dbraw/zinc/09/06/03/469090603.db2.gz BGTKQUVRFFLKDO-ZDUSSCGKSA-N 1 0 332.404 2.029 10 5 EEBERO COc1ccc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1F ZINC000599681134 469336241 /nfs/dbraw/zinc/33/62/41/469336241.db2.gz WHQQRYKITHSDHB-ZDUSSCGKSA-N 1 0 334.351 2.429 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000604230537 469464902 /nfs/dbraw/zinc/46/49/02/469464902.db2.gz KQCWELIPPWJNHW-SECBINFHSA-N 1 0 344.318 2.412 10 5 EEBERO C[C@@H]1C[NH+](C(C)(C)CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C[C@@H](C)O1 ZINC000617426727 469676394 /nfs/dbraw/zinc/67/63/94/469676394.db2.gz JVFQMMAAXNTZJY-VXGBXAGGSA-N 1 0 347.419 2.193 10 5 EEBERO C[NH+](C)Cc1cc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000734444182 577297555 /nfs/dbraw/zinc/29/75/55/577297555.db2.gz MWQJSOQLNIXATI-UHFFFAOYSA-N 1 0 346.362 2.308 10 5 EEBERO C[N@H+](CCOC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000769116649 577570223 /nfs/dbraw/zinc/57/02/23/577570223.db2.gz UJNSKCJADXONDR-UHFFFAOYSA-N 1 0 333.319 2.418 10 5 EEBERO COC1CC[NH+](CCNC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755470368 577825504 /nfs/dbraw/zinc/82/55/04/577825504.db2.gz IDZBWVDBUVECLL-YPKPFQOOSA-N 1 0 347.415 2.225 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000747822992 577950632 /nfs/dbraw/zinc/95/06/32/577950632.db2.gz GJNILTQZPDVDRA-ZIAGYGMSSA-N 1 0 345.403 2.354 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000747822986 577950645 /nfs/dbraw/zinc/95/06/45/577950645.db2.gz GJNILTQZPDVDRA-KBPBESRZSA-N 1 0 345.403 2.354 10 5 EEBERO C[N@H+](CCCC1CCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001692011218 1177654061 /nfs/dbraw/zinc/65/40/61/1177654061.db2.gz KBRXCFSLWAMTIS-IAGOWNOFSA-N 1 0 337.464 2.402 10 5 EEBERO CCc1ocnc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268523006 1183172936 /nfs/dbraw/zinc/17/29/36/1183172936.db2.gz LKRZSRORIFXZOT-ARJAWSKDSA-N 1 0 344.371 2.221 10 5 EEBERO CC(C)=CC(=O)N1CCC(CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001269817610 1184642869 /nfs/dbraw/zinc/64/28/69/1184642869.db2.gz HYLVFIVCFYJZEJ-UHFFFAOYSA-N 1 0 349.435 2.013 10 5 EEBERO COCC(C)(C)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000872243804 1198108255 /nfs/dbraw/zinc/10/82/55/1198108255.db2.gz WPAHCOMMAMWRQN-UHFFFAOYSA-N 1 0 344.433 2.021 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000872244921 1198109016 /nfs/dbraw/zinc/10/90/16/1198109016.db2.gz VKPFLTRRDRNJQD-SNVBAGLBSA-N 1 0 344.236 2.390 10 5 EEBERO CC(C)OC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000872247393 1198110051 /nfs/dbraw/zinc/11/00/51/1198110051.db2.gz SIDADPZOGGSCJV-OAHLLOKOSA-N 1 0 338.404 2.272 10 5 EEBERO COc1ccc(CC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000870993492 1200996157 /nfs/dbraw/zinc/99/61/57/1200996157.db2.gz ZYNOARYHZZQPFS-GOSISDBHSA-N 1 0 349.431 2.369 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866113139 1201435939 /nfs/dbraw/zinc/43/59/39/1201435939.db2.gz UVJSXEVZUUHFRA-UHFFFAOYSA-N 1 0 336.392 2.005 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000866207885 1201465361 /nfs/dbraw/zinc/46/53/61/1201465361.db2.gz YKLPCBFQUMGLPU-BXKDBHETSA-N 1 0 341.209 2.283 10 5 EEBERO CC(C)CN(CC1CC[NH+](C)CC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000866260134 1201478402 /nfs/dbraw/zinc/47/84/02/1201478402.db2.gz CLZWPYBMLQOIDB-UHFFFAOYSA-N 1 0 346.435 2.442 10 5 EEBERO O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866720964 1201589435 /nfs/dbraw/zinc/58/94/35/1201589435.db2.gz QGVVYGBLRYJBFE-CHWSQXEVSA-N 1 0 338.795 2.013 10 5 EEBERO C[C@@]([NH3+])(C(=O)NCCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000867987595 1201721145 /nfs/dbraw/zinc/72/11/45/1201721145.db2.gz PDMWKJYRSQWQMU-AWEZNQCLSA-N 1 0 341.458 2.081 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928456067 1206387388 /nfs/dbraw/zinc/38/73/88/1206387388.db2.gz LIUOKNYHJJUMSG-JSGCOSHPSA-N 1 0 332.404 2.017 10 5 EEBERO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1 ZINC000928840216 1206426470 /nfs/dbraw/zinc/42/64/70/1206426470.db2.gz OQEWTSGKNWOEAM-GFCCVEGCSA-N 1 0 334.401 2.474 10 5 EEBERO COc1c(C)[nH]cc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1=O ZINC000931322617 1206624907 /nfs/dbraw/zinc/62/49/07/1206624907.db2.gz BXFJEWVBJQPFKJ-UHFFFAOYSA-N 1 0 347.371 2.111 10 5 EEBERO [NH3+][C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000903535231 1240833888 /nfs/dbraw/zinc/83/38/88/1240833888.db2.gz NVZQJYTXYZCCIT-QWHCGFSZSA-N 1 0 333.310 2.185 10 5 EEBERO [NH3+][C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C(F)(F)F ZINC000903538274 1240845803 /nfs/dbraw/zinc/84/58/03/1240845803.db2.gz AWSNGWWPDIYZOS-NXEZZACHSA-N 1 0 344.293 2.448 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1C[NH2+]CCC1(F)F ZINC000903955424 1242703135 /nfs/dbraw/zinc/70/31/35/1242703135.db2.gz RKZGPFQOYHBKIB-GFCCVEGCSA-N 1 0 329.347 2.328 10 5 EEBERO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850486752 1277244676 /nfs/dbraw/zinc/24/46/76/1277244676.db2.gz VCZHPCRNEDYAPL-NSHDSACASA-N 1 0 341.433 2.043 10 5 EEBERO CCOC(=O)c1ccnc(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC001187034536 1279374721 /nfs/dbraw/zinc/37/47/21/1279374721.db2.gz LCDUNKXBGKTPBQ-STQMWFEESA-N 1 0 348.403 2.451 10 5 EEBERO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000852321447 1292092476 /nfs/dbraw/zinc/09/24/76/1292092476.db2.gz NTKDVYPGOHKIFF-AWEZNQCLSA-N 1 0 339.348 2.034 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852351115 1292096869 /nfs/dbraw/zinc/09/68/69/1292096869.db2.gz IOYUJACGCVMEOH-UMVBOHGHSA-N 1 0 326.368 2.390 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CC1C[NH+](C)C1 ZINC000853824513 1292474887 /nfs/dbraw/zinc/47/48/87/1292474887.db2.gz IIFYMBYJQZDABG-UHFFFAOYSA-N 1 0 327.768 2.033 10 5 EEBERO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000860631465 1295042311 /nfs/dbraw/zinc/04/23/11/1295042311.db2.gz VDHPOLZXIJNMOG-UHFFFAOYSA-N 1 0 331.372 2.056 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)c1ccnn1C ZINC000927127033 1297027810 /nfs/dbraw/zinc/02/78/10/1297027810.db2.gz PWPAYGLNNHCTMZ-HZMBPMFUSA-N 1 0 336.417 2.434 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000798215608 1304950934 /nfs/dbraw/zinc/95/09/34/1304950934.db2.gz BZRWKKVPEWXAJS-LLVKDONJSA-N 1 0 326.353 2.008 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000842777161 1315772017 /nfs/dbraw/zinc/77/20/17/1315772017.db2.gz ASSLUTZTRHHSQI-ZJUUUORDSA-N 1 0 347.824 2.105 10 5 EEBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001142927978 1315801944 /nfs/dbraw/zinc/80/19/44/1315801944.db2.gz RWFDXIVDSLBZBV-GJZGRUSLSA-N 1 0 334.420 2.242 10 5 EEBERO CCOCCC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001283297431 1325994498 /nfs/dbraw/zinc/99/44/98/1325994498.db2.gz ZNLSWQXWEHQNJO-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H](C)[NH+](C)C ZINC001304795016 1331398097 /nfs/dbraw/zinc/39/80/97/1331398097.db2.gz VCONGDQWWXKQJZ-GFCCVEGCSA-N 1 0 332.408 2.081 10 5 EEBERO CCc1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001305227221 1331414732 /nfs/dbraw/zinc/41/47/32/1331414732.db2.gz URTGMAGNSMFBEN-GXTWGEPZSA-N 1 0 349.435 2.215 10 5 EEBERO C[N@H+](CCCNC(=O)C1(C)CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316856926 1331525215 /nfs/dbraw/zinc/52/52/15/1331525215.db2.gz MYRRSNKHPMYVNE-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO C[N@H+](CCCNC(=O)c1ccc(F)cn1)Cc1ccccc1[N+](=O)[O-] ZINC001316818472 1331911104 /nfs/dbraw/zinc/91/11/04/1331911104.db2.gz WHZIRJULAROHHI-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO COCC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001323493489 1333475964 /nfs/dbraw/zinc/47/59/64/1333475964.db2.gz IBTOSJSRRCXARG-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001332576443 1335853581 /nfs/dbraw/zinc/85/35/81/1335853581.db2.gz ZIEBXPSRPHPWCK-UHFFFAOYSA-N 1 0 334.420 2.430 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NCC23CCC[NH+](CCC2)C3)c1 ZINC001347861985 1337523746 /nfs/dbraw/zinc/52/37/46/1337523746.db2.gz USTCSMPISWEQOH-UHFFFAOYSA-N 1 0 333.388 2.209 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)[C@H]2C1 ZINC001348310000 1337548402 /nfs/dbraw/zinc/54/84/02/1337548402.db2.gz GLCOERWQIBLUEE-RRQGHBQHSA-N 1 0 344.415 2.003 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000848025351 1338455720 /nfs/dbraw/zinc/45/57/20/1338455720.db2.gz RICFNGJKTFZAEO-LBPRGKRZSA-N 1 0 343.811 2.071 10 5 EEBERO Cc1nc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)ncc1[N+](=O)[O-] ZINC001613088573 1352313563 /nfs/dbraw/zinc/31/35/63/1352313563.db2.gz ZMJILWNCMOVQAT-CYBMUJFWSA-N 1 0 333.779 2.498 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001620645171 1352361388 /nfs/dbraw/zinc/36/13/88/1352361388.db2.gz MXYIPDSBFWJLEZ-MRXNPFEDSA-N 1 0 347.346 2.468 10 5 EEBERO CC[N@H+](CCNC(=O)c1coc(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC001663372375 1354954663 /nfs/dbraw/zinc/95/46/63/1354954663.db2.gz DRWGJZQBMNARRA-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CCc1cc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001567313945 1342738886 /nfs/dbraw/zinc/73/88/86/1342738886.db2.gz DKDLVPDUNDDKAZ-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001655611165 1354179958 /nfs/dbraw/zinc/17/99/58/1354179958.db2.gz YLAUBMIGNALOKR-GXTWGEPZSA-N 1 0 339.348 2.034 10 5 EEBERO CN(C(=O)C[NH2+][C@H]1CCOCC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001655902235 1354189666 /nfs/dbraw/zinc/18/96/66/1354189666.db2.gz DNYCIDULUMDJME-INIZCTEOSA-N 1 0 347.415 2.497 10 5 EEBERO CCc1nc(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)co1 ZINC001660108283 1354398297 /nfs/dbraw/zinc/39/82/97/1354398297.db2.gz GMLPSJXSOVCBJF-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO C/C(=C\C(=O)NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785291587 770030223 /nfs/dbraw/zinc/03/02/23/770030223.db2.gz HWTPQRLGEPLDKV-CCEZHUSRSA-N 1 0 347.415 2.227 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000908577036 785544099 /nfs/dbraw/zinc/54/40/99/785544099.db2.gz JYMFSTILGZMLPF-UHFFFAOYSA-N 1 0 332.404 2.389 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913293133 788769920 /nfs/dbraw/zinc/76/99/20/788769920.db2.gz JIBGSGLNBRZXBM-IAGOWNOFSA-N 1 0 333.388 2.017 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@H](CCCO)C2)o1 ZINC001171118345 789014028 /nfs/dbraw/zinc/01/40/28/789014028.db2.gz JYAGLBNTYURVPG-LBPRGKRZSA-N 1 0 332.360 2.239 10 5 EEBERO C[N@@H+]1CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CCC1(C)C ZINC000913721828 794178867 /nfs/dbraw/zinc/17/88/67/794178867.db2.gz CYLWLXGCDHTNGC-UHFFFAOYSA-N 1 0 340.811 2.387 10 5 EEBERO CC(C)(O)[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001175883088 798261474 /nfs/dbraw/zinc/26/14/74/798261474.db2.gz PGRIUVVRWLCQNB-NSHDSACASA-N 1 0 332.360 2.238 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc2ccccc2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496701632 1101299500 /nfs/dbraw/zinc/29/95/00/1101299500.db2.gz GESXXJQFSBAMTR-QZTJIDSGSA-N 1 0 341.411 2.395 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001497519894 1102614560 /nfs/dbraw/zinc/61/45/60/1102614560.db2.gz VWTYQXXLWCXLBO-ARJAWSKDSA-N 1 0 326.356 2.066 10 5 EEBERO CC[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC001454063629 1106699427 /nfs/dbraw/zinc/69/94/27/1106699427.db2.gz JRHAWIVDCKYKTP-CMPLNLGQSA-N 1 0 325.796 2.390 10 5 EEBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460184713 1110258439 /nfs/dbraw/zinc/25/84/39/1110258439.db2.gz YDIBRBNWUDHAOU-AAEUAGOBSA-N 1 0 332.360 2.238 10 5 EEBERO CC(C)[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC001464136523 1110388284 /nfs/dbraw/zinc/38/82/84/1110388284.db2.gz LAYCMHYVCKHCRE-OAHLLOKOSA-N 1 0 349.435 2.058 10 5 EEBERO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001473712361 1110578964 /nfs/dbraw/zinc/57/89/64/1110578964.db2.gz AJUKKHXUWUVPAQ-BONVTDFDSA-N 1 0 337.332 2.134 10 5 EEBERO CCc1ncoc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001499345115 1112243420 /nfs/dbraw/zinc/24/34/20/1112243420.db2.gz OCGLSNOMAXDFDL-UHFFFAOYSA-N 1 0 344.371 2.197 10 5 EEBERO O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001517121179 1119024281 /nfs/dbraw/zinc/02/42/81/1119024281.db2.gz DSKQHBCPWBIZCL-KRWDZBQOSA-N 1 0 348.399 2.324 10 5 EEBERO CCc1oncc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001569245186 1125191270 /nfs/dbraw/zinc/19/12/70/1125191270.db2.gz NYFORWYATNFYOL-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO COC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181675052 234280283 /nfs/dbraw/zinc/28/02/83/234280283.db2.gz NOSOYAADEVMPHP-SJLPKXTDSA-N 1 0 346.383 2.312 10 5 EEBERO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000070447075 202333920 /nfs/dbraw/zinc/33/39/20/202333920.db2.gz QOGCPTRKTNEGOS-LLVKDONJSA-N 1 0 330.182 2.070 10 5 EEBERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000079427342 201205481 /nfs/dbraw/zinc/20/54/81/201205481.db2.gz BSMCQNZCWAQIJO-CYBMUJFWSA-N 1 0 348.403 2.312 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000191783674 239295658 /nfs/dbraw/zinc/29/56/58/239295658.db2.gz WHHRTNJCAWKLOX-LBPRGKRZSA-N 1 0 337.424 2.052 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000193282723 240090530 /nfs/dbraw/zinc/09/05/30/240090530.db2.gz CEXUGZKSWJHTIK-JTQLQIEISA-N 1 0 349.840 2.208 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000424050038 240813373 /nfs/dbraw/zinc/81/33/73/240813373.db2.gz AUFVQNOCDDCULT-UHFFFAOYSA-N 1 0 330.388 2.137 10 5 EEBERO Cc1ccc(N2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000105801596 204160967 /nfs/dbraw/zinc/16/09/67/204160967.db2.gz BWZHCTCWCXOEFF-UHFFFAOYSA-N 1 0 341.415 2.448 10 5 EEBERO Cn1cc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000105869153 204173693 /nfs/dbraw/zinc/17/36/93/204173693.db2.gz OXRKSRUYSJRKPP-UHFFFAOYSA-N 1 0 329.404 2.036 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125651392 205019924 /nfs/dbraw/zinc/01/99/24/205019924.db2.gz RAUVTAZXHAXYFH-GFCCVEGCSA-N 1 0 328.372 2.215 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129579053 205201413 /nfs/dbraw/zinc/20/14/13/205201413.db2.gz DKLUJLJMGHYATP-NSHDSACASA-N 1 0 331.294 2.390 10 5 EEBERO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([NH+]2CCCC2)CC1 ZINC000181453361 284619293 /nfs/dbraw/zinc/61/92/93/284619293.db2.gz KHOIVACQLUJXHI-UHFFFAOYSA-N 1 0 347.371 2.024 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000174255195 207004552 /nfs/dbraw/zinc/00/45/52/207004552.db2.gz CLLKJPWGALGWHH-DOTOQJQBSA-N 1 0 346.431 2.406 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3nc[nH]c3C2)n1 ZINC000353626493 285169249 /nfs/dbraw/zinc/16/92/49/285169249.db2.gz ILFVYZUKIPZEPI-UXIGCNINSA-N 1 0 330.392 2.145 10 5 EEBERO Cc1csc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090523655 159197749 /nfs/dbraw/zinc/19/77/49/159197749.db2.gz JUGMTCXCRCXCOC-ZDUSSCGKSA-N 1 0 348.428 2.401 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000245846481 160254084 /nfs/dbraw/zinc/25/40/84/160254084.db2.gz DVRVBNHHBGFJLH-MAZHCROVSA-N 1 0 335.404 2.319 10 5 EEBERO Cc1c(NC(=O)CCN2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246246544 160269846 /nfs/dbraw/zinc/26/98/46/160269846.db2.gz DTIVLPRPIOGDID-AWEZNQCLSA-N 1 0 332.404 2.012 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000246873885 160298715 /nfs/dbraw/zinc/29/87/15/160298715.db2.gz FGOKRXFGNQTOAW-OLZOCXBDSA-N 1 0 348.359 2.202 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000247964263 160335006 /nfs/dbraw/zinc/33/50/06/160335006.db2.gz DKVSKOOARFVRGG-SJORKVTESA-N 1 0 340.383 2.473 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000342015654 161032255 /nfs/dbraw/zinc/03/22/55/161032255.db2.gz JAYYXLUMPYOZSO-AWEZNQCLSA-N 1 0 335.404 2.469 10 5 EEBERO CCCN(CC[NH+]1CCCCC1)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000342775265 161089648 /nfs/dbraw/zinc/08/96/48/161089648.db2.gz FPVFCYRCBIXBML-UHFFFAOYSA-N 1 0 337.424 2.149 10 5 EEBERO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000344061303 161194782 /nfs/dbraw/zinc/19/47/82/161194782.db2.gz MRMJNCVCAWEINX-HRCADAONSA-N 1 0 347.415 2.340 10 5 EEBERO COc1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351970597 162008542 /nfs/dbraw/zinc/00/85/42/162008542.db2.gz FTZMSVDPHWQNQM-UHFFFAOYSA-N 1 0 347.415 2.438 10 5 EEBERO Cc1c(CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000368019831 166037240 /nfs/dbraw/zinc/03/72/40/166037240.db2.gz KRRBWKQFWDCEQU-HOTGVXAUSA-N 1 0 331.416 2.436 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000360242382 164265024 /nfs/dbraw/zinc/26/50/24/164265024.db2.gz OGHBBSYCJVPDPZ-UHFFFAOYSA-N 1 0 329.360 2.028 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423047684 280357383 /nfs/dbraw/zinc/35/73/83/280357383.db2.gz VIYJTMJTYDJURW-JKSUJKDBSA-N 1 0 339.823 2.147 10 5 EEBERO O=[N+]([O-])c1ccc(CO)cc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000302018089 294920948 /nfs/dbraw/zinc/92/09/48/294920948.db2.gz CZDDCPALGLMWSD-MSOLQXFVSA-N 1 0 349.431 2.267 10 5 EEBERO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000457359286 295415510 /nfs/dbraw/zinc/41/55/10/295415510.db2.gz FNCDTCVVHJPCSY-BBRMVZONSA-N 1 0 344.371 2.236 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173267937 302041864 /nfs/dbraw/zinc/04/18/64/302041864.db2.gz BHVUMHVEISASPB-CHWSQXEVSA-N 1 0 341.433 2.006 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000439024987 315064346 /nfs/dbraw/zinc/06/43/46/315064346.db2.gz GSKWPEVGVAMUDZ-CQSZACIVSA-N 1 0 338.408 2.118 10 5 EEBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC[NH+](C)C ZINC000539418197 318055555 /nfs/dbraw/zinc/05/55/55/318055555.db2.gz XBTHKBIHPKJSHE-NSHDSACASA-N 1 0 343.811 2.426 10 5 EEBERO COc1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000545984207 318238180 /nfs/dbraw/zinc/23/81/80/318238180.db2.gz FBOOBEJRPUZSNV-UHFFFAOYSA-N 1 0 336.388 2.375 10 5 EEBERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576148293 320145231 /nfs/dbraw/zinc/14/52/31/320145231.db2.gz XLMLBVWKVZZYSQ-JKSUJKDBSA-N 1 0 335.404 2.388 10 5 EEBERO [NH3+]CC[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C(F)F ZINC000383380466 323527737 /nfs/dbraw/zinc/52/77/37/323527737.db2.gz LYTZBTPRPCQPGH-ZETCQYMHSA-N 1 0 325.113 2.147 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000339204848 465140995 /nfs/dbraw/zinc/14/09/95/465140995.db2.gz QHSKBTVIOBXBNC-UHFFFAOYSA-N 1 0 328.372 2.458 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153757571 462688375 /nfs/dbraw/zinc/68/83/75/462688375.db2.gz QIQNTLWEWNZFPB-CQSZACIVSA-N 1 0 336.392 2.136 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136934783 463266533 /nfs/dbraw/zinc/26/65/33/463266533.db2.gz DRPSBXYFQGUJAI-NSHDSACASA-N 1 0 341.795 2.089 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159107266 463268716 /nfs/dbraw/zinc/26/87/16/463268716.db2.gz KYEJYFZKOWQLKJ-SECBINFHSA-N 1 0 342.193 2.133 10 5 EEBERO CCOC(=O)c1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000123150392 463320719 /nfs/dbraw/zinc/32/07/19/463320719.db2.gz ILLDWNSEEWWIKA-CQSZACIVSA-N 1 0 333.388 2.446 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000097162589 463339485 /nfs/dbraw/zinc/33/94/85/463339485.db2.gz MCKKHZISIGPUOQ-PWSUYJOCSA-N 1 0 347.462 2.007 10 5 EEBERO [NH3+]C1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCCC1 ZINC000162884793 463547275 /nfs/dbraw/zinc/54/72/75/463547275.db2.gz YUUGHEBKONBXDD-UHFFFAOYSA-N 1 0 345.396 2.064 10 5 EEBERO O=C(NC1CC1)c1ccc(N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000171831520 463932949 /nfs/dbraw/zinc/93/29/49/463932949.db2.gz ADAXKQYDAUFNAZ-UHFFFAOYSA-N 1 0 344.415 2.162 10 5 EEBERO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000180776870 464393391 /nfs/dbraw/zinc/39/33/91/464393391.db2.gz MCIXDPKFNDUNDQ-UHFFFAOYSA-N 1 0 332.404 2.125 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000175014508 464480151 /nfs/dbraw/zinc/48/01/51/464480151.db2.gz BKUNHTRYDMQDOQ-WCQYABFASA-N 1 0 343.387 2.170 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267472821 464933842 /nfs/dbraw/zinc/93/38/42/464933842.db2.gz PBDFYZODOUQZGR-JTQLQIEISA-N 1 0 342.193 2.181 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348223857 465497982 /nfs/dbraw/zinc/49/79/82/465497982.db2.gz YETNHCDXTOIEGM-OAHLLOKOSA-N 1 0 332.404 2.010 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCCCC3)C2)n1 ZINC000343033906 465467427 /nfs/dbraw/zinc/46/74/27/465467427.db2.gz KYEILBNVSAHQSC-UHFFFAOYSA-N 1 0 334.376 2.205 10 5 EEBERO C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000339738384 465479001 /nfs/dbraw/zinc/47/90/01/465479001.db2.gz IGLWZFDFDWYEOG-GJZGRUSLSA-N 1 0 347.415 2.168 10 5 EEBERO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000366200347 465590053 /nfs/dbraw/zinc/59/00/53/465590053.db2.gz YPFTXZGMIUHNLT-UHFFFAOYSA-N 1 0 332.404 2.374 10 5 EEBERO C[NH+](C)C1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095307 468441966 /nfs/dbraw/zinc/44/19/66/468441966.db2.gz RUWRHWWEWJUNAZ-UHFFFAOYSA-N 1 0 341.799 2.388 10 5 EEBERO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000299305683 465689594 /nfs/dbraw/zinc/68/95/94/465689594.db2.gz BITGCIAPRSWWGJ-INIZCTEOSA-N 1 0 342.399 2.246 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1cccs1 ZINC000353320397 465794599 /nfs/dbraw/zinc/79/45/99/465794599.db2.gz WWANVNTVHUIVSN-IINYFYTJSA-N 1 0 349.416 2.192 10 5 EEBERO COc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000340153964 465823221 /nfs/dbraw/zinc/82/32/21/465823221.db2.gz WZDFIBATVUESCF-AWEZNQCLSA-N 1 0 346.387 2.144 10 5 EEBERO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ncsc2c1 ZINC000362563933 465834166 /nfs/dbraw/zinc/83/41/66/465834166.db2.gz FLRJUNHKBWOIDD-ZWNOBZJWSA-N 1 0 347.400 2.113 10 5 EEBERO Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301998138 466075724 /nfs/dbraw/zinc/07/57/24/466075724.db2.gz IDPAAUMNYNQFJW-ZDUSSCGKSA-N 1 0 330.388 2.218 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000340867647 466397615 /nfs/dbraw/zinc/39/76/15/466397615.db2.gz LMBLTCQLHLJWCW-JTQLQIEISA-N 1 0 339.421 2.104 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000367570563 466420415 /nfs/dbraw/zinc/42/04/15/466420415.db2.gz QNSJAUIQUYIMRZ-ZIAGYGMSSA-N 1 0 349.435 2.055 10 5 EEBERO CO[C@H](C)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000354460450 466584155 /nfs/dbraw/zinc/58/41/55/466584155.db2.gz RVTZAWVSUVKFTH-UKRRQHHQSA-N 1 0 326.393 2.080 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2C[NH2+]CCO2)c2ccccc2)c1 ZINC000423561997 466773977 /nfs/dbraw/zinc/77/39/77/466773977.db2.gz KFKDQNYIRRFTPY-ZWKOTPCHSA-N 1 0 327.384 2.262 10 5 EEBERO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)NCC1CCCCC1 ZINC000411477950 466833471 /nfs/dbraw/zinc/83/34/71/466833471.db2.gz JIPJHIARQVSUAE-UHFFFAOYSA-N 1 0 346.431 2.435 10 5 EEBERO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000370537668 466915034 /nfs/dbraw/zinc/91/50/34/466915034.db2.gz BUNGFLWIAFZBAM-OAHLLOKOSA-N 1 0 340.383 2.384 10 5 EEBERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000404609556 467475961 /nfs/dbraw/zinc/47/59/61/467475961.db2.gz OLIHKMBZCBFRCQ-UHFFFAOYSA-N 1 0 349.412 2.101 10 5 EEBERO CC(C)(C[NH+]1CCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000457056502 467741250 /nfs/dbraw/zinc/74/12/50/467741250.db2.gz CMKVLNIMJBPKBN-UHFFFAOYSA-N 1 0 341.358 2.406 10 5 EEBERO CCOc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458196590 467787151 /nfs/dbraw/zinc/78/71/51/467787151.db2.gz RPFSIMOQUGUDPT-CYBMUJFWSA-N 1 0 335.404 2.455 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000450397927 467842624 /nfs/dbraw/zinc/84/26/24/467842624.db2.gz WQDLJPLIRQYHRG-RDJZCZTQSA-N 1 0 342.399 2.285 10 5 EEBERO C[NH+](C)CCCOc1cnccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000450526397 467865025 /nfs/dbraw/zinc/86/50/25/467865025.db2.gz FVJTZUIBMYLGPD-UHFFFAOYSA-N 1 0 331.376 2.327 10 5 EEBERO C[C@@H]1C[N@H+](CCCNc2c3ccccc3ncc2[N+](=O)[O-])CCCO1 ZINC000487739892 468052105 /nfs/dbraw/zinc/05/21/05/468052105.db2.gz KLWWLFKWFINQEY-CQSZACIVSA-N 1 0 344.415 2.478 10 5 EEBERO CNc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000532754447 468137469 /nfs/dbraw/zinc/13/74/69/468137469.db2.gz MATPRVLZUXDICM-UHFFFAOYSA-N 1 0 334.420 2.487 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000589499418 468156252 /nfs/dbraw/zinc/15/62/52/468156252.db2.gz QMBHEYVFUDZMTD-HNNXBMFYSA-N 1 0 333.388 2.052 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CC[NH+](C2CC2)CC1 ZINC000589830187 468186567 /nfs/dbraw/zinc/18/65/67/468186567.db2.gz AFWRFCZOMVRHCZ-UHFFFAOYSA-N 1 0 339.342 2.159 10 5 EEBERO CNc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591892010 468552051 /nfs/dbraw/zinc/55/20/51/468552051.db2.gz OTZHPXGCCKFNPG-ZIAGYGMSSA-N 1 0 332.404 2.241 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600471294 468567270 /nfs/dbraw/zinc/56/72/70/468567270.db2.gz KGOWSCNQLMOJQZ-CQSZACIVSA-N 1 0 332.404 2.140 10 5 EEBERO COc1ccc(CC(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000597667548 468632579 /nfs/dbraw/zinc/63/25/79/468632579.db2.gz QYUZJOYIZNIINT-UHFFFAOYSA-N 1 0 347.415 2.090 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000593021164 468842470 /nfs/dbraw/zinc/84/24/70/468842470.db2.gz SJJFWJIXFXNSIZ-QWHCGFSZSA-N 1 0 335.404 2.296 10 5 EEBERO O=C(CC[NH+]1CCC(C2(O)CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593052158 468852104 /nfs/dbraw/zinc/85/21/04/468852104.db2.gz WUAUSKVCQLJHLX-UHFFFAOYSA-N 1 0 333.388 2.160 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598539125 468905776 /nfs/dbraw/zinc/90/57/76/468905776.db2.gz FPKYPKHNHZDANZ-HNNXBMFYSA-N 1 0 349.431 2.394 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595785534 469009764 /nfs/dbraw/zinc/00/97/64/469009764.db2.gz XJGHVHMECSIELH-CABCVRRESA-N 1 0 333.388 2.125 10 5 EEBERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000598892473 469040883 /nfs/dbraw/zinc/04/08/83/469040883.db2.gz GHPJWVSCPXDVOP-CQSZACIVSA-N 1 0 347.415 2.310 10 5 EEBERO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599075843 469109733 /nfs/dbraw/zinc/10/97/33/469109733.db2.gz AJGPRURAZISSHW-HYVNUMGLSA-N 1 0 333.432 2.226 10 5 EEBERO [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C1 ZINC000593726630 469111062 /nfs/dbraw/zinc/11/10/62/469111062.db2.gz QLVNPISQURFHRC-WMLDXEAASA-N 1 0 335.404 2.019 10 5 EEBERO O=C(CC[N@@H+]1CCO[C@H](C(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000601978274 469124867 /nfs/dbraw/zinc/12/48/67/469124867.db2.gz XAJXJCXDHQGOTA-ZDUSSCGKSA-N 1 0 343.330 2.279 10 5 EEBERO C[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596068558 469138155 /nfs/dbraw/zinc/13/81/55/469138155.db2.gz YYSKEVNRORURJF-QANKJYHBSA-N 1 0 346.383 2.046 10 5 EEBERO CC1(N2CCOCC2)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599622480 469313066 /nfs/dbraw/zinc/31/30/66/469313066.db2.gz KITPMQRFOCZTIP-UHFFFAOYSA-N 1 0 333.432 2.324 10 5 EEBERO Cc1cccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)c1 ZINC000599627328 469315557 /nfs/dbraw/zinc/31/55/57/469315557.db2.gz KKHISESDKDMFNH-IAGOWNOFSA-N 1 0 332.404 2.448 10 5 EEBERO COC(=O)c1cc(C)nc(NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000420624206 533770351 /nfs/dbraw/zinc/77/03/51/533770351.db2.gz IZYLGKWIIYEPFP-UHFFFAOYSA-N 1 0 336.392 2.370 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451587483 536464746 /nfs/dbraw/zinc/46/47/46/536464746.db2.gz LRNUBZSHUIJDCE-OLZOCXBDSA-N 1 0 349.387 2.245 10 5 EEBERO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1 ZINC000731676763 577116148 /nfs/dbraw/zinc/11/61/48/577116148.db2.gz URGHHGOLKVETKT-IRXDYDNUSA-N 1 0 341.367 2.023 10 5 EEBERO C[C@H]1CCOCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000775567410 577439622 /nfs/dbraw/zinc/43/96/22/577439622.db2.gz XSCDELLJEUQCOP-LBPRGKRZSA-N 1 0 335.360 2.004 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000769896908 577586726 /nfs/dbraw/zinc/58/67/26/577586726.db2.gz HKWZCPTYUZVXCF-MRVWCRGKSA-N 1 0 348.321 2.263 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000757863068 577865870 /nfs/dbraw/zinc/86/58/70/577865870.db2.gz NESLAZKETHRQEL-SJLPKXTDSA-N 1 0 330.384 2.477 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000742424428 577872895 /nfs/dbraw/zinc/87/28/95/577872895.db2.gz CLHVDKQAOHWDDF-NSHDSACASA-N 1 0 336.417 2.097 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000177157095 680073448 /nfs/dbraw/zinc/07/34/48/680073448.db2.gz PZYWBWUCIJIADJ-OAHLLOKOSA-N 1 0 344.419 2.227 10 5 EEBERO CC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001485667865 1191888412 /nfs/dbraw/zinc/88/84/12/1191888412.db2.gz XNWXWKJXYSATAZ-MTBGLIFDSA-N 1 0 335.448 2.178 10 5 EEBERO C[NH2+]C1(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCC1 ZINC001648789814 1176308159 /nfs/dbraw/zinc/30/81/59/1176308159.db2.gz SQUUVOCXYPFGQM-UHFFFAOYSA-N 1 0 328.372 2.202 10 5 EEBERO Cc1ncccc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001691453979 1178856748 /nfs/dbraw/zinc/85/67/48/1178856748.db2.gz OVTDDWHDVVFTAZ-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C(F)(F)F)CC1 ZINC001691486177 1179592382 /nfs/dbraw/zinc/59/23/82/1179592382.db2.gz JETIEQCJSJIEBF-UHFFFAOYSA-N 1 0 345.321 2.485 10 5 EEBERO C[N@H+](CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC001271772033 1186473503 /nfs/dbraw/zinc/47/35/03/1186473503.db2.gz HZRNRSGOUAHZEQ-QZTJIDSGSA-N 1 0 345.443 2.412 10 5 EEBERO CCN(CC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482924156 1187844437 /nfs/dbraw/zinc/84/44/37/1187844437.db2.gz CEQGISVOZSOGDF-BXUZGUMPSA-N 1 0 343.786 2.082 10 5 EEBERO COC(=O)C[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000905713227 1189881814 /nfs/dbraw/zinc/88/18/14/1189881814.db2.gz VZIHLXSDIRANLD-DGCLKSJQSA-N 1 0 346.387 2.341 10 5 EEBERO CCC(=O)c1ccc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC000865998624 1198449247 /nfs/dbraw/zinc/44/92/47/1198449247.db2.gz PFMHJKSONSIMDL-ZDUSSCGKSA-N 1 0 335.404 2.445 10 5 EEBERO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)CC1 ZINC000866055243 1201416211 /nfs/dbraw/zinc/41/62/11/1201416211.db2.gz RJHVZLGMTMXDSO-UHFFFAOYSA-N 1 0 332.404 2.006 10 5 EEBERO C[C@@H]1[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@@H+]1C ZINC000928455128 1206387062 /nfs/dbraw/zinc/38/70/62/1206387062.db2.gz SOIFIRDUPWLTIM-RHSMWYFYSA-N 1 0 349.434 2.364 10 5 EEBERO COc1ccc(OCCN[C@H]2CC[NH2+]C23CCCC3)c([N+](=O)[O-])c1 ZINC000903484500 1240621210 /nfs/dbraw/zinc/62/12/10/1240621210.db2.gz SNXVQGQKUYKKQU-INIZCTEOSA-N 1 0 335.404 2.247 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000903529534 1240814656 /nfs/dbraw/zinc/81/46/56/1240814656.db2.gz IUXIFUHVVHDUQG-AWEZNQCLSA-N 1 0 331.376 2.219 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000903529561 1240816639 /nfs/dbraw/zinc/81/66/39/1240816639.db2.gz KEFUPXLXXNWWFH-AWEZNQCLSA-N 1 0 331.376 2.219 10 5 EEBERO COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000903535972 1240837400 /nfs/dbraw/zinc/83/74/00/1240837400.db2.gz URMFHDZJZRFZKT-GHMZBOCLSA-N 1 0 333.310 2.315 10 5 EEBERO C[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CS1(=O)=O ZINC000850367763 1277202678 /nfs/dbraw/zinc/20/26/78/1277202678.db2.gz CWSCIUNAWPAXSL-KOLCDFICSA-N 1 0 332.809 2.304 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H](O)C34CCC4)CC2)cc1 ZINC000850546670 1277262598 /nfs/dbraw/zinc/26/25/98/1277262598.db2.gz NXMZHBCCTNRCEA-SJORKVTESA-N 1 0 331.416 2.457 10 5 EEBERO CCC1([NH2+]CC2CC(F)(F)C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001273756534 1284919514 /nfs/dbraw/zinc/91/95/14/1284919514.db2.gz AWKZAONKUDHEPR-CHWSQXEVSA-N 1 0 345.390 2.058 10 5 EEBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1F ZINC000855049280 1293053952 /nfs/dbraw/zinc/05/39/52/1293053952.db2.gz QATXBZPNTNVIHU-AOOOYVTPSA-N 1 0 327.331 2.251 10 5 EEBERO C[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000857768370 1293911314 /nfs/dbraw/zinc/91/13/14/1293911314.db2.gz OYTOQCRPUYHUBJ-WDEREUQCSA-N 1 0 343.330 2.010 10 5 EEBERO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000858471451 1294126359 /nfs/dbraw/zinc/12/63/59/1294126359.db2.gz CQNJIFXBQGPRHQ-BFHYXJOUSA-N 1 0 334.376 2.126 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000926946512 1296966203 /nfs/dbraw/zinc/96/62/03/1296966203.db2.gz PGRNWJGSOBQNQX-HPFXQQBRSA-N 1 0 332.400 2.309 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931314873 1297130583 /nfs/dbraw/zinc/13/05/83/1297130583.db2.gz RFXSOESSVNQWIV-HOTGVXAUSA-N 1 0 334.376 2.277 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000798143901 1304928152 /nfs/dbraw/zinc/92/81/52/1304928152.db2.gz NZEYQZYSAPIZEA-NSHDSACASA-N 1 0 343.811 2.071 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854507 1315624257 /nfs/dbraw/zinc/62/42/57/1315624257.db2.gz BNPCNMXMNVYKPB-RNCFNFMXSA-N 1 0 326.784 2.045 10 5 EEBERO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001293328221 1328674140 /nfs/dbraw/zinc/67/41/40/1328674140.db2.gz ORHPDYKDAVQSCC-NSHDSACASA-N 1 0 340.811 2.435 10 5 EEBERO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc[nH]n1 ZINC001284530529 1326599453 /nfs/dbraw/zinc/59/94/53/1326599453.db2.gz UHIJQNXYVGZMKB-UHFFFAOYSA-N 1 0 345.403 2.301 10 5 EEBERO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001330699081 1334888601 /nfs/dbraw/zinc/88/86/01/1334888601.db2.gz YZLKVHJRIHOSDQ-RYUDHWBXSA-N 1 0 333.367 2.397 10 5 EEBERO CC(C)(C)[NH2+]CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001333449240 1336049925 /nfs/dbraw/zinc/04/99/25/1336049925.db2.gz UOYDBOXPMIEHGV-UHFFFAOYSA-N 1 0 344.209 2.362 10 5 EEBERO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001611112251 1352294541 /nfs/dbraw/zinc/29/45/41/1352294541.db2.gz PEGHNTPBODSABN-HNNXBMFYSA-N 1 0 340.383 2.175 10 5 EEBERO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001560035560 1342505944 /nfs/dbraw/zinc/50/59/44/1342505944.db2.gz ZDTBVSLXADMYET-ZDUSSCGKSA-N 1 0 344.371 2.484 10 5 EEBERO CCC[N@H+](CCNC(=O)C1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567421148 1342757583 /nfs/dbraw/zinc/75/75/83/1342757583.db2.gz MSOAJOVQKBCWQT-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO Cc1cncc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001569395296 1342863899 /nfs/dbraw/zinc/86/38/99/1342863899.db2.gz KMDFGWWJZVIVGX-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001570234916 1343038694 /nfs/dbraw/zinc/03/86/94/1343038694.db2.gz DNZJOVYQAPPAKY-UHFFFAOYSA-N 1 0 329.360 2.194 10 5 EEBERO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001596461091 1349907134 /nfs/dbraw/zinc/90/71/34/1349907134.db2.gz KOKAQWOXQBIIFA-QWRGUYRKSA-N 1 0 325.796 2.342 10 5 EEBERO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001628127009 1352521917 /nfs/dbraw/zinc/52/19/17/1352521917.db2.gz SDPNTRIMVYNXMG-NEPJUHHUSA-N 1 0 340.811 2.433 10 5 EEBERO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001651769194 1354064260 /nfs/dbraw/zinc/06/42/60/1354064260.db2.gz FKHFFVBLGCPROM-AWEZNQCLSA-N 1 0 347.415 2.449 10 5 EEBERO C[C@H]1CCN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001655192369 1354167228 /nfs/dbraw/zinc/16/72/28/1354167228.db2.gz PFHBTYGTUNWPED-AWEZNQCLSA-N 1 0 329.404 2.429 10 5 EEBERO Cc1ccc(C)c(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c1 ZINC001663723313 1355022614 /nfs/dbraw/zinc/02/26/14/1355022614.db2.gz UUCRJDAIPQCASL-IAGOWNOFSA-N 1 0 331.416 2.049 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccccc1 ZINC001664018078 1355075231 /nfs/dbraw/zinc/07/52/31/1355075231.db2.gz ARJVJSVKCXUCLR-UHFFFAOYSA-N 1 0 327.384 2.386 10 5 EEBERO CC(F)(F)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001669027818 1356071430 /nfs/dbraw/zinc/07/14/30/1356071430.db2.gz WUWSDARANXGHKQ-PLNGDYQASA-N 1 0 327.331 2.402 10 5 EEBERO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC([NH+]2CCC2)CC1 ZINC000912875400 788439226 /nfs/dbraw/zinc/43/92/26/788439226.db2.gz DGFYCIFWPWQXKU-UHFFFAOYSA-N 1 0 328.372 2.386 10 5 EEBERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566214946 1125591551 /nfs/dbraw/zinc/59/15/51/1125591551.db2.gz YLEUHIMNLMMTFS-UHFFFAOYSA-N 1 0 329.360 2.194 10 5 EEBERO CCn1cc(C(=O)NCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001566440568 1125602742 /nfs/dbraw/zinc/60/27/42/1125602742.db2.gz UXALSCXUVQGXRY-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001439741327 1092700392 /nfs/dbraw/zinc/70/03/92/1092700392.db2.gz GUMJCSRQSLLVMD-BZNIZROVSA-N 1 0 335.429 2.340 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=COCCC1 ZINC001497357598 1102375727 /nfs/dbraw/zinc/37/57/27/1102375727.db2.gz BJXOLCTYCQXATB-UHFFFAOYSA-N 1 0 333.388 2.227 10 5 EEBERO CNc1c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC001454183328 1106837535 /nfs/dbraw/zinc/83/75/35/1106837535.db2.gz YUEHQXXLRPXNII-KGLIPLIRSA-N 1 0 332.404 2.239 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCn1cccc1 ZINC001493741517 1108607505 /nfs/dbraw/zinc/60/75/05/1108607505.db2.gz DBHLJUQDWRKASQ-UHFFFAOYSA-N 1 0 330.388 2.035 10 5 EEBERO Cc1noc(C[C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC001460859404 1110326602 /nfs/dbraw/zinc/32/66/02/1110326602.db2.gz ROHRVCMAGLZBAC-XJKSGUPXSA-N 1 0 346.387 2.274 10 5 EEBERO O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC001471525265 1110524413 /nfs/dbraw/zinc/52/44/13/1110524413.db2.gz HCOZHZRXHIHSLF-CQSZACIVSA-N 1 0 325.328 2.291 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CC([NH2+]C2CCOCC2)C1 ZINC001472877515 1110564963 /nfs/dbraw/zinc/56/49/63/1110564963.db2.gz UAQFLQZSBFYDOP-UHFFFAOYSA-N 1 0 346.362 2.239 10 5 EEBERO C[C@@H](C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001526620137 1120554233 /nfs/dbraw/zinc/55/42/33/1120554233.db2.gz GWJSTCGVKYVLMS-DYVFJYSZSA-N 1 0 348.399 2.495 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC001527028984 1120640796 /nfs/dbraw/zinc/64/07/96/1120640796.db2.gz HXJLGMKOMVYRMJ-UHFFFAOYSA-N 1 0 345.355 2.458 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001529267892 1121383831 /nfs/dbraw/zinc/38/38/31/1121383831.db2.gz JSCZJZFGSWYJCX-CFVMTHIKSA-N 1 0 344.415 2.239 10 5 EEBERO C[NH+](C)C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000183576673 282117662 /nfs/dbraw/zinc/11/76/62/282117662.db2.gz QZESNTDKWILTRV-CQSZACIVSA-N 1 0 329.360 2.414 10 5 EEBERO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000420580192 283386359 /nfs/dbraw/zinc/38/63/59/283386359.db2.gz CAGVPNCSWHXFLW-UHFFFAOYSA-N 1 0 332.404 2.006 10 5 EEBERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000070183243 202318329 /nfs/dbraw/zinc/31/83/29/202318329.db2.gz WYSKMNXHDOHQMX-RKDXNWHRSA-N 1 0 329.198 2.316 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605502 201146766 /nfs/dbraw/zinc/14/67/66/201146766.db2.gz RCDZZEFFZSSOJL-UHFFFAOYSA-N 1 0 344.415 2.479 10 5 EEBERO CN(CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000079960382 201235530 /nfs/dbraw/zinc/23/55/30/201235530.db2.gz RZXSWGCHQKZIQL-UHFFFAOYSA-N 1 0 346.431 2.118 10 5 EEBERO Cc1c(CC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423974383 240766595 /nfs/dbraw/zinc/76/65/95/240766595.db2.gz NIRFVVRHEILFAP-NVXWUHKLSA-N 1 0 331.416 2.436 10 5 EEBERO C[C@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)CS(C)(=O)=O ZINC000451554167 243157277 /nfs/dbraw/zinc/15/72/77/243157277.db2.gz ZLHPWPJOHCFEFQ-HIFRSBDPSA-N 1 0 340.445 2.455 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@](O)(CO)C3)o2)cc1 ZINC000459717916 245222354 /nfs/dbraw/zinc/22/23/54/245222354.db2.gz MOZMYDITIKKXDN-QGZVFWFLSA-N 1 0 332.356 2.174 10 5 EEBERO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000112076667 220239743 /nfs/dbraw/zinc/23/97/43/220239743.db2.gz NLKFEQRBIPNOTC-ZDUSSCGKSA-N 1 0 343.387 2.065 10 5 EEBERO Cc1cnc(CC[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])s1 ZINC000157786663 206156551 /nfs/dbraw/zinc/15/65/51/206156551.db2.gz WYMLVPVSEPSYEM-UHFFFAOYSA-N 1 0 334.401 2.133 10 5 EEBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000494671364 247000958 /nfs/dbraw/zinc/00/09/58/247000958.db2.gz VIZAWBFUULASKP-ZJUUUORDSA-N 1 0 333.348 2.004 10 5 EEBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000494671363 247001245 /nfs/dbraw/zinc/00/12/45/247001245.db2.gz VIZAWBFUULASKP-VHSXEESVSA-N 1 0 333.348 2.004 10 5 EEBERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721265 207049743 /nfs/dbraw/zinc/04/97/43/207049743.db2.gz BEASUQXTYNHXBQ-NHYWBVRUSA-N 1 0 338.795 2.499 10 5 EEBERO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C ZINC000174735300 207050649 /nfs/dbraw/zinc/05/06/49/207050649.db2.gz RGIRUMGZDYXKNO-NSHDSACASA-N 1 0 345.346 2.353 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000175235321 207107594 /nfs/dbraw/zinc/10/75/94/207107594.db2.gz UXKUFYPOTVEJJX-CQSZACIVSA-N 1 0 345.403 2.497 10 5 EEBERO C[NH+](C)[C@]1(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCSC1 ZINC000267090786 256025791 /nfs/dbraw/zinc/02/57/91/256025791.db2.gz INALZAJIQOYQCY-INIZCTEOSA-N 1 0 348.428 2.243 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275946149 256390227 /nfs/dbraw/zinc/39/02/27/256390227.db2.gz ZCUVNYNRBNZSNX-CTYIDZIISA-N 1 0 335.404 2.467 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371018972 153881128 /nfs/dbraw/zinc/88/11/28/153881128.db2.gz PFCWEQORWQUQEI-HUUCEWRRSA-N 1 0 346.431 2.387 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000110083744 159357225 /nfs/dbraw/zinc/35/72/25/159357225.db2.gz LNGMENGSZJEEQM-CQSZACIVSA-N 1 0 336.392 2.136 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176867776 159868471 /nfs/dbraw/zinc/86/84/71/159868471.db2.gz MEVROQHVBHQUME-AWEZNQCLSA-N 1 0 349.431 2.068 10 5 EEBERO CN(C(=O)C[N@@H+]1CCCCC[C@@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000342047913 161035052 /nfs/dbraw/zinc/03/50/52/161035052.db2.gz MLHYRYFHKPVBGX-OAHLLOKOSA-N 1 0 335.404 2.185 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2[C@H](C)CCC[C@H]2C)n1 ZINC000342222505 161048860 /nfs/dbraw/zinc/04/88/60/161048860.db2.gz MIQTVMKAKKCTQL-VXGBXAGGSA-N 1 0 336.392 2.451 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348223881 161486477 /nfs/dbraw/zinc/48/64/77/161486477.db2.gz YIRYJKRKUNXPEL-AWEZNQCLSA-N 1 0 332.404 2.010 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354619427 162929812 /nfs/dbraw/zinc/92/98/12/162929812.db2.gz GGZWRIKGTMKKFA-STQMWFEESA-N 1 0 341.433 2.136 10 5 EEBERO CC(C)(NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368296022 166084761 /nfs/dbraw/zinc/08/47/61/166084761.db2.gz IPVIORMUERSNND-GFCCVEGCSA-N 1 0 343.387 2.410 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000278388889 269228815 /nfs/dbraw/zinc/22/88/15/269228815.db2.gz FQCRDCYCRAYRML-GFCCVEGCSA-N 1 0 345.403 2.384 10 5 EEBERO Cc1cc(OCC(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000280613033 269378736 /nfs/dbraw/zinc/37/87/36/269378736.db2.gz SEVQWAFZNMZTDJ-AWEZNQCLSA-N 1 0 335.404 2.273 10 5 EEBERO COC(=O)c1cc(C)nc(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000286508946 274879009 /nfs/dbraw/zinc/87/90/09/274879009.db2.gz WNJOCYZWLTZYII-NSHDSACASA-N 1 0 336.392 2.229 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000291368891 275298635 /nfs/dbraw/zinc/29/86/35/275298635.db2.gz UOFJUPXPBSTODD-QGZVFWFLSA-N 1 0 337.395 2.466 10 5 EEBERO CC1(C)CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261572744 276136879 /nfs/dbraw/zinc/13/68/79/276136879.db2.gz URYNMRQKUHUJDQ-SNVBAGLBSA-N 1 0 329.198 2.316 10 5 EEBERO CC[NH+]1CCN(CC(C)(C)Nc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000450920844 279354220 /nfs/dbraw/zinc/35/42/20/279354220.db2.gz BIYVOZITMUQYEI-UHFFFAOYSA-N 1 0 335.452 2.435 10 5 EEBERO O=[N+]([O-])c1cnccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000355585500 280383309 /nfs/dbraw/zinc/38/33/09/280383309.db2.gz NVSYWQYOALSUHF-UHFFFAOYSA-N 1 0 334.420 2.319 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NCCN2CCC([NH+](C)C)CC2)c1 ZINC000301558038 294869182 /nfs/dbraw/zinc/86/91/82/294869182.db2.gz SVJOUZMQKGTVQY-UHFFFAOYSA-N 1 0 340.399 2.180 10 5 EEBERO O=[N+]([O-])c1ccc(CO)cc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000302018090 294920849 /nfs/dbraw/zinc/92/08/49/294920849.db2.gz CZDDCPALGLMWSD-QZTJIDSGSA-N 1 0 349.431 2.267 10 5 EEBERO C[C@H](C[NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689810 313167229 /nfs/dbraw/zinc/16/72/29/313167229.db2.gz DETHFJCYOPEQEY-SSDOTTSWSA-N 1 0 331.170 2.074 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000525107152 317039580 /nfs/dbraw/zinc/03/95/80/317039580.db2.gz NKQQFOLJERGNLW-WFASDCNBSA-N 1 0 334.420 2.439 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541963718 318118868 /nfs/dbraw/zinc/11/88/68/318118868.db2.gz WQGGPBCQJCMXFC-JTQLQIEISA-N 1 0 343.330 2.268 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000564099750 319067419 /nfs/dbraw/zinc/06/74/19/319067419.db2.gz NUYDXFBQQBWVNA-HNNXBMFYSA-N 1 0 348.447 2.210 10 5 EEBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@@H]21 ZINC000236307210 464212710 /nfs/dbraw/zinc/21/27/10/464212710.db2.gz LULKWSHQAAEDIP-WCABBAIRSA-N 1 0 341.209 2.316 10 5 EEBERO CC[NH+]1CCC(N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000341373101 465135685 /nfs/dbraw/zinc/13/56/85/465135685.db2.gz XFJMVWXTANFURT-UHFFFAOYSA-N 1 0 336.392 2.005 10 5 EEBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCC2=O)cc1 ZINC000090538106 462796436 /nfs/dbraw/zinc/79/64/36/462796436.db2.gz RYDBKPHLOXMFOQ-CYBMUJFWSA-N 1 0 343.387 2.269 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000137047900 463274653 /nfs/dbraw/zinc/27/46/53/463274653.db2.gz GNCMUROGRAQBAG-KRWDZBQOSA-N 1 0 330.388 2.237 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NCC[NH+]2CCC(OC)CC2)c1 ZINC000080250505 463301004 /nfs/dbraw/zinc/30/10/04/463301004.db2.gz SIEUAOQDKNSFGE-UHFFFAOYSA-N 1 0 327.356 2.265 10 5 EEBERO C[NH+](C)C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000160015150 463313990 /nfs/dbraw/zinc/31/39/90/463313990.db2.gz NYINJUBDUBTLIJ-CYBMUJFWSA-N 1 0 347.337 2.376 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000590971146 468388057 /nfs/dbraw/zinc/38/80/57/468388057.db2.gz OXHONFXEMQQMJL-HUUCEWRRSA-N 1 0 334.372 2.429 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172460238 464085235 /nfs/dbraw/zinc/08/52/35/464085235.db2.gz BPGJNDNFSPUPAR-UHFFFAOYSA-N 1 0 347.415 2.088 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000222332876 464129266 /nfs/dbraw/zinc/12/92/66/464129266.db2.gz MCKKHZISIGPUOQ-CMPLNLGQSA-N 1 0 347.462 2.007 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000284346637 464158716 /nfs/dbraw/zinc/15/87/16/464158716.db2.gz CNKKGBWOIPCOQI-CQSZACIVSA-N 1 0 335.404 2.484 10 5 EEBERO COc1cc(CN2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000351935375 465452498 /nfs/dbraw/zinc/45/24/98/465452498.db2.gz GYJIKRRHQGOVLQ-UHFFFAOYSA-N 1 0 349.431 2.148 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CC1 ZINC000180584825 464342569 /nfs/dbraw/zinc/34/25/69/464342569.db2.gz VVNHISFVAZATRO-HUUCEWRRSA-N 1 0 327.388 2.112 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188733593 464355400 /nfs/dbraw/zinc/35/54/00/464355400.db2.gz RJNVUNHPTZQSBH-UHFFFAOYSA-N 1 0 327.340 2.137 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246135449 464549000 /nfs/dbraw/zinc/54/90/00/464549000.db2.gz JVMDTQALXWTJIQ-STQMWFEESA-N 1 0 341.433 2.006 10 5 EEBERO C[C@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298703043 465477898 /nfs/dbraw/zinc/47/78/98/465477898.db2.gz IBUWXKKVRYIUFG-LBPRGKRZSA-N 1 0 335.408 2.013 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000339969522 465647300 /nfs/dbraw/zinc/64/73/00/465647300.db2.gz QGAHJPCRBZOKIR-AWEZNQCLSA-N 1 0 332.404 2.648 10 5 EEBERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000353945970 466272294 /nfs/dbraw/zinc/27/22/94/466272294.db2.gz DARBYWGRNXWQEN-WFASDCNBSA-N 1 0 341.433 2.060 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361776318 466278918 /nfs/dbraw/zinc/27/89/18/466278918.db2.gz LITLMBZYTUAWIW-HUUCEWRRSA-N 1 0 348.447 2.410 10 5 EEBERO O=[N+]([O-])c1cnccc1NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000340860542 466391594 /nfs/dbraw/zinc/39/15/94/466391594.db2.gz SPUOCXAMKIBNGC-HNNXBMFYSA-N 1 0 344.440 2.441 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229911 468501785 /nfs/dbraw/zinc/50/17/85/468501785.db2.gz XIKOHYYCRDIWLR-HNNXBMFYSA-N 1 0 347.415 2.497 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000369675235 466743905 /nfs/dbraw/zinc/74/39/05/466743905.db2.gz ABKFTLOBGAYGFV-UHFFFAOYSA-N 1 0 344.371 2.307 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](NC[C@H]2C[NH2+]CCO2)c2ccccc2)c1 ZINC000423561995 466774084 /nfs/dbraw/zinc/77/40/84/466774084.db2.gz KFKDQNYIRRFTPY-QZTJIDSGSA-N 1 0 327.384 2.262 10 5 EEBERO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423978118 466934359 /nfs/dbraw/zinc/93/43/59/466934359.db2.gz QFYVIILLCXAQKY-UONOGXRCSA-N 1 0 333.388 2.208 10 5 EEBERO Cc1c(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000418084013 467040815 /nfs/dbraw/zinc/04/08/15/467040815.db2.gz UHSZOJPELHAPMB-YIONKMFJSA-N 1 0 332.404 2.328 10 5 EEBERO COC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000452102408 467323463 /nfs/dbraw/zinc/32/34/63/467323463.db2.gz KVVQTBKONNIPQK-WMLDXEAASA-N 1 0 347.415 2.449 10 5 EEBERO Cc1cc(N2CC[NH2+]C[C@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420269257 467333919 /nfs/dbraw/zinc/33/39/19/467333919.db2.gz SYRITRDEWIZTKM-KRWDZBQOSA-N 1 0 345.378 2.498 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420391246 467391379 /nfs/dbraw/zinc/39/13/79/467391379.db2.gz YWDJIYLQXLSWDX-KBXCAEBGSA-N 1 0 346.431 2.306 10 5 EEBERO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420400592 467395023 /nfs/dbraw/zinc/39/50/23/467395023.db2.gz PAZABMCJDZPEGH-PHIMTYICSA-N 1 0 338.795 2.013 10 5 EEBERO CCN1C[C@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000408042500 467499077 /nfs/dbraw/zinc/49/90/77/467499077.db2.gz RJBGCVBDAQGUGC-STQMWFEESA-N 1 0 341.433 2.006 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2CCO)cc1OC(F)F ZINC000450620126 467880556 /nfs/dbraw/zinc/88/05/56/467880556.db2.gz VEMUXYNIZNEZNN-LBPRGKRZSA-N 1 0 345.346 2.455 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000589866098 468190910 /nfs/dbraw/zinc/19/09/10/468190910.db2.gz PSFIRYWMUJBKKO-JKSUJKDBSA-N 1 0 328.372 2.052 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC2CCC1(C[NH3+])CC2 ZINC000519781251 468209572 /nfs/dbraw/zinc/20/95/72/468209572.db2.gz UKLULMSRZGAENG-POZPTJLLSA-N 1 0 332.404 2.125 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590442053 468257408 /nfs/dbraw/zinc/25/74/08/468257408.db2.gz GBRBUWZZNYUOCI-RNCFNFMXSA-N 1 0 343.305 2.390 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000591725215 468511264 /nfs/dbraw/zinc/51/12/64/468511264.db2.gz KBGMJTZRXCSCSX-NSHDSACASA-N 1 0 326.736 2.371 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(Cl)cn1 ZINC000591758620 468516601 /nfs/dbraw/zinc/51/66/01/468516601.db2.gz FJODTJKGJRJNQC-ZDUSSCGKSA-N 1 0 337.763 2.173 10 5 EEBERO Cc1cc(OCC(=O)N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000597665973 468631135 /nfs/dbraw/zinc/63/11/35/468631135.db2.gz IICBNQHKJCLIPU-UHFFFAOYSA-N 1 0 347.415 2.226 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000600745228 468646219 /nfs/dbraw/zinc/64/62/19/468646219.db2.gz DTEHWBSTRSAJPC-DOPJRALCSA-N 1 0 346.431 2.162 10 5 EEBERO Cc1ccc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592211212 468656454 /nfs/dbraw/zinc/65/64/54/468656454.db2.gz LQVDZDAVMRXBET-UHFFFAOYSA-N 1 0 348.403 2.232 10 5 EEBERO O=C(CC[NH2+]C[C@@H](O)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000592431424 468696853 /nfs/dbraw/zinc/69/68/53/468696853.db2.gz NSPNRIZQEDFOCS-HNNXBMFYSA-N 1 0 343.383 2.117 10 5 EEBERO COCC[N@H+](C)CCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600995523 468712105 /nfs/dbraw/zinc/71/21/05/468712105.db2.gz ICWCGAYQTCQSAV-UHFFFAOYSA-N 1 0 349.431 2.101 10 5 EEBERO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@H+](C)C1 ZINC000597946016 468720798 /nfs/dbraw/zinc/72/07/98/468720798.db2.gz MXTCFCHXNFPGAH-CQSZACIVSA-N 1 0 330.388 2.171 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000595052299 468749120 /nfs/dbraw/zinc/74/91/20/468749120.db2.gz WWNVNPFRQVQUSU-OZVIIMIRSA-N 1 0 340.420 2.412 10 5 EEBERO CCC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595080699 468753721 /nfs/dbraw/zinc/75/37/21/468753721.db2.gz YQEOHPLOROYIFP-IAGOWNOFSA-N 1 0 338.404 2.194 10 5 EEBERO C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+](C2CC2)C1 ZINC000601170645 468768697 /nfs/dbraw/zinc/76/86/97/468768697.db2.gz SJDHRMYNYAMPPJ-VIFPVBQESA-N 1 0 347.341 2.268 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000601229649 468789827 /nfs/dbraw/zinc/78/98/27/468789827.db2.gz WMZVJKPAKWSLSP-UHFFFAOYSA-N 1 0 348.403 2.313 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000592953549 468826766 /nfs/dbraw/zinc/82/67/66/468826766.db2.gz VPBKPDLJSPZPNI-MRXNPFEDSA-N 1 0 341.367 2.302 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601368072 468843950 /nfs/dbraw/zinc/84/39/50/468843950.db2.gz JQXMGNHFUMTSQN-SNVBAGLBSA-N 1 0 349.478 2.219 10 5 EEBERO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C(C)(C)C1 ZINC000593100297 468872298 /nfs/dbraw/zinc/87/22/98/468872298.db2.gz HPLCYVGWPHQBND-UHFFFAOYSA-N 1 0 337.420 2.146 10 5 EEBERO COC(=O)c1ccnc(NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000598588256 468924126 /nfs/dbraw/zinc/92/41/26/468924126.db2.gz JOKBMNFGCBKSBS-UHFFFAOYSA-N 1 0 336.392 2.453 10 5 EEBERO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595630750 468930710 /nfs/dbraw/zinc/93/07/10/468930710.db2.gz BXDBPDZMYFXIKR-RBSFLKMASA-N 1 0 338.404 2.259 10 5 EEBERO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000595718993 468968760 /nfs/dbraw/zinc/96/87/60/468968760.db2.gz UUKSGEGGBASASR-RDTXWAMCSA-N 1 0 348.399 2.385 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CC2(F)F)cc1 ZINC000598730501 468977504 /nfs/dbraw/zinc/97/75/04/468977504.db2.gz WSNVSMSSMLRLAA-JTQLQIEISA-N 1 0 334.344 2.003 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3COC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595826980 469030245 /nfs/dbraw/zinc/03/02/45/469030245.db2.gz BPAFWOJFOVGOGV-MELADBBJSA-N 1 0 333.388 2.199 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905276 469075352 /nfs/dbraw/zinc/07/53/52/469075352.db2.gz RUIXWUXZUZQBPS-INIZCTEOSA-N 1 0 337.420 2.146 10 5 EEBERO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccsc1 ZINC000587137469 469086172 /nfs/dbraw/zinc/08/61/72/469086172.db2.gz HRWNSNBUOGKPPR-AWEZNQCLSA-N 1 0 336.417 2.446 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000595932860 469089290 /nfs/dbraw/zinc/08/92/90/469089290.db2.gz CLTQXXDJMFWTQF-CQSZACIVSA-N 1 0 347.415 2.455 10 5 EEBERO C[NH2+]Cc1ccccc1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000593703295 469102124 /nfs/dbraw/zinc/10/21/24/469102124.db2.gz BLUANGAAFNBGIQ-UHFFFAOYSA-N 1 0 342.399 2.356 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000601975209 469122303 /nfs/dbraw/zinc/12/23/03/469122303.db2.gz MLEXCLVGVCYGOS-GWCFXTLKSA-N 1 0 343.330 2.278 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987867 469209919 /nfs/dbraw/zinc/20/99/19/469209919.db2.gz UETMABDTKVDJGY-GXFFZTMASA-N 1 0 334.294 2.076 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@@H]31)OCCO2 ZINC000611285351 469219910 /nfs/dbraw/zinc/21/99/10/469219910.db2.gz GKDUTKPHNQSUES-OCCSQVGLSA-N 1 0 334.372 2.367 10 5 EEBERO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599433057 469254562 /nfs/dbraw/zinc/25/45/62/469254562.db2.gz AFYZSCQGIZSZIA-GDBMZVCRSA-N 1 0 336.388 2.088 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599573964 469297005 /nfs/dbraw/zinc/29/70/05/469297005.db2.gz LLUWVXKPRHLGJX-QGZVFWFLSA-N 1 0 328.372 2.283 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000610064121 469977527 /nfs/dbraw/zinc/97/75/27/469977527.db2.gz PYLMPJCWHNWVAO-SECBINFHSA-N 1 0 342.193 2.181 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595634997 485608176 /nfs/dbraw/zinc/60/81/76/485608176.db2.gz SJRSPPUNBDUCOE-AXAPSJFSSA-N 1 0 348.403 2.127 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000192628968 528967315 /nfs/dbraw/zinc/96/73/15/528967315.db2.gz IGTDDMDGWLGXLP-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000773494370 577346564 /nfs/dbraw/zinc/34/65/64/577346564.db2.gz YVENHIAYMQEXAA-UHFFFAOYSA-N 1 0 346.431 2.408 10 5 EEBERO COCC[N@@H+]1CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000751219686 577749377 /nfs/dbraw/zinc/74/93/77/577749377.db2.gz RUBZJBAKNSWUKY-UHFFFAOYSA-N 1 0 336.417 2.363 10 5 EEBERO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OCCCO1 ZINC000754124059 577800876 /nfs/dbraw/zinc/80/08/76/577800876.db2.gz SKRMAGPOXODESZ-UHFFFAOYSA-N 1 0 335.404 2.306 10 5 EEBERO C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1cnnn1C ZINC000926848130 683072822 /nfs/dbraw/zinc/07/28/22/683072822.db2.gz ABRSIQVNLDUKMN-MRVPVSSYSA-N 1 0 340.181 2.337 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000928441853 683165252 /nfs/dbraw/zinc/16/52/52/683165252.db2.gz PNTVBGYAAARGGO-PELKAZGASA-N 1 0 331.294 2.436 10 5 EEBERO Cc1ccc(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000895340735 684515794 /nfs/dbraw/zinc/51/57/94/684515794.db2.gz BKHCJOBBMCCYRX-HNNXBMFYSA-N 1 0 332.404 2.283 10 5 EEBERO O=C1N(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]2CCCCN12 ZINC000895341087 684516162 /nfs/dbraw/zinc/51/61/62/684516162.db2.gz FJEJERUQWZLPMF-AWEZNQCLSA-N 1 0 336.367 2.114 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]([C@@H]3CCCO3)C1)OCCO2 ZINC000895842857 684740712 /nfs/dbraw/zinc/74/07/12/684740712.db2.gz GDXPPLYFXCMIKD-DOMZBBRYSA-N 1 0 334.372 2.367 10 5 EEBERO C[C@@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C[C@H]1CC[NH3+] ZINC000905290931 694597513 /nfs/dbraw/zinc/59/75/13/694597513.db2.gz DWYYUBZYFQOQBN-GHMZBOCLSA-N 1 0 343.330 2.010 10 5 EEBERO CC[N@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001691033348 1176864977 /nfs/dbraw/zinc/86/49/77/1176864977.db2.gz KWPRNXFEFJKENC-UHFFFAOYSA-N 1 0 334.351 2.314 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1=COCCC1 ZINC001269383540 1184222813 /nfs/dbraw/zinc/22/28/13/1184222813.db2.gz KLILTCXBPDARPL-UHFFFAOYSA-N 1 0 331.372 2.028 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC001482998772 1187978019 /nfs/dbraw/zinc/97/80/19/1187978019.db2.gz RIYQMOHWOGUIQB-OWOJBTEDSA-N 1 0 339.342 2.402 10 5 EEBERO [NH3+][C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[C@H]1C(F)(F)F ZINC000905720547 1189888090 /nfs/dbraw/zinc/88/80/90/1189888090.db2.gz DUGIVLLGXACXRX-HTQZYQBOSA-N 1 0 347.322 2.315 10 5 EEBERO Cc1nc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC001483779033 1191023581 /nfs/dbraw/zinc/02/35/81/1191023581.db2.gz NPIMOBXZYURTGZ-UHFFFAOYSA-N 1 0 344.371 2.252 10 5 EEBERO C/C=C(/C)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001484565697 1191420127 /nfs/dbraw/zinc/42/01/27/1191420127.db2.gz BBGHDRZPMVTOON-DAUOHGBASA-N 1 0 349.435 2.059 10 5 EEBERO CN(CCC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484742175 1191494153 /nfs/dbraw/zinc/49/41/53/1191494153.db2.gz RVBUPNWUDQTUKH-HZPDHXFCSA-N 1 0 337.464 2.402 10 5 EEBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)on1 ZINC001273040562 1194346003 /nfs/dbraw/zinc/34/60/03/1194346003.db2.gz QNRKCLCULXUNTP-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO C[C@]12C[NH2+]C[C@H]1CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000703601985 1196598106 /nfs/dbraw/zinc/59/81/06/1196598106.db2.gz VDJSOFAMXBGJHH-SMDDNHRTSA-N 1 0 340.221 2.399 10 5 EEBERO C[C@H](NC[C@@H]1CCC[N@@H+]1CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872076084 1198041747 /nfs/dbraw/zinc/04/17/47/1198041747.db2.gz XCSCLGHTPPNETH-STQMWFEESA-N 1 0 325.384 2.231 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000870546734 1200736852 /nfs/dbraw/zinc/73/68/52/1200736852.db2.gz CSCCCUHRYIMRBA-ZDUSSCGKSA-N 1 0 332.360 2.278 10 5 EEBERO C[N@@H+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCC1(C)C ZINC000871152332 1201071228 /nfs/dbraw/zinc/07/12/28/1201071228.db2.gz BZOHCQATJSXQQK-UHFFFAOYSA-N 1 0 335.404 2.306 10 5 EEBERO COC(=O)Cc1ccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000866217834 1201468476 /nfs/dbraw/zinc/46/84/76/1201468476.db2.gz IAGRDOSARUCMGI-MRXNPFEDSA-N 1 0 335.404 2.087 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866721151 1201589222 /nfs/dbraw/zinc/58/92/22/1201589222.db2.gz KRMDQJXTKVWMCP-HZPDHXFCSA-N 1 0 332.404 2.058 10 5 EEBERO C[C@@H]1C[NH2+]C[C@H]1CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000925803892 1206155420 /nfs/dbraw/zinc/15/54/20/1206155420.db2.gz XIMVFPQRTZJICR-UNEWFSDZSA-N 1 0 343.431 2.253 10 5 EEBERO O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852585001 1292138841 /nfs/dbraw/zinc/13/88/41/1292138841.db2.gz WECFOBPYIJPGDU-OLZOCXBDSA-N 1 0 339.779 2.080 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000853793866 1292456100 /nfs/dbraw/zinc/45/61/00/1292456100.db2.gz BDVZPGFCLOYEOB-INIZCTEOSA-N 1 0 342.399 2.356 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856154 1315625184 /nfs/dbraw/zinc/62/51/84/1315625184.db2.gz OVWHYHTZJWYLCO-RNCFNFMXSA-N 1 0 326.784 2.045 10 5 EEBERO C[NH+](C)Cc1ccccc1NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298489718 1330091162 /nfs/dbraw/zinc/09/11/62/1330091162.db2.gz IXPIZXSALWSJSK-MRXNPFEDSA-N 1 0 329.356 2.329 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC001301039404 1331287038 /nfs/dbraw/zinc/28/70/38/1331287038.db2.gz VXKYBHCTKVCPDL-CYBMUJFWSA-N 1 0 332.404 2.435 10 5 EEBERO Cc1cc[nH]c1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001321044553 1333004912 /nfs/dbraw/zinc/00/49/12/1333004912.db2.gz KDTCZNZTEBDMSF-PLNGDYQASA-N 1 0 328.372 2.307 10 5 EEBERO Cc1ncoc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001322461185 1333266965 /nfs/dbraw/zinc/26/69/65/1333266965.db2.gz OOZZNWUMRRQPBR-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC001322867510 1333344992 /nfs/dbraw/zinc/34/49/92/1333344992.db2.gz FPNWAYUBFYMEFO-UHFFFAOYSA-N 1 0 338.327 2.440 10 5 EEBERO CC(C)=CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001324984379 1333802706 /nfs/dbraw/zinc/80/27/06/1333802706.db2.gz WYUCAOCLJASNDS-UHFFFAOYSA-N 1 0 347.415 2.316 10 5 EEBERO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC([NH+]4CCCC4)C3)c2c1 ZINC001329360344 1334634234 /nfs/dbraw/zinc/63/42/34/1334634234.db2.gz OQFDCAHRHPCARA-UHFFFAOYSA-N 1 0 333.779 2.476 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001330630860 1334879746 /nfs/dbraw/zinc/87/97/46/1334879746.db2.gz IOYHSCGYQKHUEF-UHFFFAOYSA-N 1 0 332.404 2.246 10 5 EEBERO C[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557487 1338720877 /nfs/dbraw/zinc/72/08/77/1338720877.db2.gz IJNFXPAJKNFQAT-FQUUOJAGSA-N 1 0 336.436 2.325 10 5 EEBERO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CC[NH+]1CCCC1 ZINC001612537264 1352308510 /nfs/dbraw/zinc/30/85/10/1352308510.db2.gz ASBYTTUFBRGWIM-UHFFFAOYSA-N 1 0 344.419 2.227 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)n1 ZINC001434878651 1341975774 /nfs/dbraw/zinc/97/57/74/1341975774.db2.gz RXENENAIVLNGRU-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CCOCCC(=O)N1CCC(C)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001502772144 1342232349 /nfs/dbraw/zinc/23/23/49/1342232349.db2.gz JQNMJFIIKGSTHI-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001560035559 1342505537 /nfs/dbraw/zinc/50/55/37/1342505537.db2.gz ZDTBVSLXADMYET-CYBMUJFWSA-N 1 0 344.371 2.484 10 5 EEBERO COCCCC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001566606628 1342577505 /nfs/dbraw/zinc/57/75/05/1342577505.db2.gz PMBFJYURQAJEHZ-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(N3CCN4C[C@@H](F)C[C@H]4C3)c2c1 ZINC001640497437 1352710792 /nfs/dbraw/zinc/71/07/92/1352710792.db2.gz RWGSPZTZAOJECP-RYUDHWBXSA-N 1 0 346.362 2.384 10 5 EEBERO C[N@H+]1CC=C(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001642498378 1352732269 /nfs/dbraw/zinc/73/22/69/1352732269.db2.gz HFXLNDUDVZMZHZ-UHFFFAOYSA-N 1 0 343.343 2.147 10 5 EEBERO CC1CC[NH+](CC[C@@H]2CCCN2Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001644158368 1352758854 /nfs/dbraw/zinc/75/88/54/1352758854.db2.gz RFIPHAAUIZBDBD-INIZCTEOSA-N 1 0 335.452 2.415 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001647864172 1353405833 /nfs/dbraw/zinc/40/58/33/1353405833.db2.gz FCTPDOVTPDRNGI-UHFFFAOYSA-N 1 0 347.415 2.048 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC001654909796 1354161215 /nfs/dbraw/zinc/16/12/15/1354161215.db2.gz VPIZGXATBUQQFA-INIZCTEOSA-N 1 0 335.404 2.373 10 5 EEBERO Cc1c(NC(=O)CC[NH2+][C@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC001655381865 1354172254 /nfs/dbraw/zinc/17/22/54/1354172254.db2.gz ZJNRINLYOUEKFB-GFCCVEGCSA-N 1 0 331.376 2.316 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3ncc(C)cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001655965546 1354192263 /nfs/dbraw/zinc/19/22/63/1354192263.db2.gz XERQICBCCKTEDN-OAHLLOKOSA-N 1 0 342.399 2.328 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001664260091 1355124438 /nfs/dbraw/zinc/12/44/38/1355124438.db2.gz FNNYYYFXYYFIET-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001668673144 1355984124 /nfs/dbraw/zinc/98/41/24/1355984124.db2.gz SRGLDTVXVBRWPP-ONEGZZNKSA-N 1 0 326.356 2.066 10 5 EEBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136493128 786862076 /nfs/dbraw/zinc/86/20/76/786862076.db2.gz SJCMPHYUBMFPRP-BZPMIXESSA-N 1 0 347.419 2.049 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000912600384 788255773 /nfs/dbraw/zinc/25/57/73/788255773.db2.gz PUNUDFAQKDCNQG-CVEARBPZSA-N 1 0 347.415 2.353 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000922993350 788495234 /nfs/dbraw/zinc/49/52/34/788495234.db2.gz IEPGTVJPAMSUBT-UNJUUPHPSA-N 1 0 327.388 2.274 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001181841798 800929892 /nfs/dbraw/zinc/92/98/92/800929892.db2.gz YDEVYRLLSMOXNQ-LBPRGKRZSA-N 1 0 325.796 2.343 10 5 EEBERO Cc1cc(Cl)c(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC001182433645 801176779 /nfs/dbraw/zinc/17/67/79/801176779.db2.gz JHXHNMLJWCYUGG-UHFFFAOYSA-N 1 0 334.763 2.215 10 5 EEBERO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786844993 806917289 /nfs/dbraw/zinc/91/72/89/806917289.db2.gz JUBMPWBRBTZXIR-UHFFFAOYSA-N 1 0 334.420 2.371 10 5 EEBERO O=C1C[C@H](CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1 ZINC000922781668 801870226 /nfs/dbraw/zinc/87/02/26/801870226.db2.gz MJQJHBPLGPKQCN-LBPRGKRZSA-N 1 0 329.356 2.471 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC001170548563 812583672 /nfs/dbraw/zinc/58/36/72/812583672.db2.gz HGLCNCVSEIMZMX-OAHLLOKOSA-N 1 0 348.330 2.344 10 5 EEBERO CCc1cc(C(=O)NCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001479808269 1099055859 /nfs/dbraw/zinc/05/58/59/1099055859.db2.gz WIICVQMNNKVXEG-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CCC[N@H+](CCNC(=O)C1=CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001493286593 1107854561 /nfs/dbraw/zinc/85/45/61/1107854561.db2.gz LIONIBPQSPWBMP-UHFFFAOYSA-N 1 0 347.415 2.270 10 5 EEBERO COc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001493771418 1108646297 /nfs/dbraw/zinc/64/62/97/1108646297.db2.gz XJZMLMBLKJJGCG-UHFFFAOYSA-N 1 0 343.383 2.465 10 5 EEBERO C[NH2+]C1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCCC1 ZINC001458553579 1109891625 /nfs/dbraw/zinc/89/16/25/1109891625.db2.gz FZHLDXYBXROBGB-UHFFFAOYSA-N 1 0 341.433 2.333 10 5 EEBERO COCCC(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001506950229 1114998929 /nfs/dbraw/zinc/99/89/29/1114998929.db2.gz YYLRJZLZWOTRLC-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO CCCOCC(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001508192685 1115438541 /nfs/dbraw/zinc/43/85/41/1115438541.db2.gz FBISVTGZDARVJK-UHFFFAOYSA-N 1 0 347.415 2.270 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC001539284181 1124051776 /nfs/dbraw/zinc/05/17/76/1124051776.db2.gz QVIIOBAWNPXUTL-UHFFFAOYSA-N 1 0 332.404 2.435 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cc1F ZINC001544952593 1124173323 /nfs/dbraw/zinc/17/33/23/1124173323.db2.gz LYYMQXNAKJMYOC-UHFFFAOYSA-N 1 0 333.323 2.025 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nccs1 ZINC001568499441 1124555256 /nfs/dbraw/zinc/55/52/56/1124555256.db2.gz DYEYYPKPZQZJSR-UHFFFAOYSA-N 1 0 334.401 2.255 10 5 EEBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000225813456 242048400 /nfs/dbraw/zinc/04/84/00/242048400.db2.gz OQAMNCASRFQGEC-KGLIPLIRSA-N 1 0 336.436 2.440 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107526404 204240624 /nfs/dbraw/zinc/24/06/24/204240624.db2.gz PIVZGHMEJQVMMU-INIZCTEOSA-N 1 0 347.415 2.451 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245434855 205132902 /nfs/dbraw/zinc/13/29/02/205132902.db2.gz CNFMTSWDUJEBNZ-UONOGXRCSA-N 1 0 334.420 2.256 10 5 EEBERO C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000155507188 206012245 /nfs/dbraw/zinc/01/22/45/206012245.db2.gz MGNDDHPYPNWEHA-RYUDHWBXSA-N 1 0 332.404 2.334 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000174992200 207080114 /nfs/dbraw/zinc/08/01/14/207080114.db2.gz CPEVSVIJHPCWFK-UKRRQHHQSA-N 1 0 333.388 2.059 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)n1 ZINC000270791412 256172690 /nfs/dbraw/zinc/17/26/90/256172690.db2.gz XATGDVYNBOHSGU-UHFFFAOYSA-N 1 0 343.387 2.219 10 5 EEBERO COC(=O)c1cnc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357684252 153286507 /nfs/dbraw/zinc/28/65/07/153286507.db2.gz OYPUECDDECDNTN-TXEJJXNPSA-N 1 0 336.392 2.451 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371018970 153881544 /nfs/dbraw/zinc/88/15/44/153881544.db2.gz PFCWEQORWQUQEI-CABCVRRESA-N 1 0 346.431 2.387 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCCO1 ZINC000076300047 159083366 /nfs/dbraw/zinc/08/33/66/159083366.db2.gz PMAAGIJEEKMSJQ-CYBMUJFWSA-N 1 0 337.376 2.043 10 5 EEBERO CCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247127302 160311577 /nfs/dbraw/zinc/31/15/77/160311577.db2.gz JGLPNFVSTAEXNR-TZMCWYRMSA-N 1 0 333.388 2.302 10 5 EEBERO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000341932919 161025362 /nfs/dbraw/zinc/02/53/62/161025362.db2.gz CKUMVKANRAWGOV-CYBMUJFWSA-N 1 0 343.449 2.135 10 5 EEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cc[nH+]cc1 ZINC000343200630 161112405 /nfs/dbraw/zinc/11/24/05/161112405.db2.gz SEIUAZAQCHUPFB-UHFFFAOYSA-N 1 0 346.412 2.366 10 5 EEBERO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C1CC1 ZINC000353024343 162398707 /nfs/dbraw/zinc/39/87/07/162398707.db2.gz GVILSHHQGFPGIE-UONOGXRCSA-N 1 0 334.372 2.234 10 5 EEBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000354887957 163004892 /nfs/dbraw/zinc/00/48/92/163004892.db2.gz QSUQRFNCVLVSON-UHFFFAOYSA-N 1 0 348.403 2.103 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000418990510 274366258 /nfs/dbraw/zinc/36/62/58/274366258.db2.gz CUKMQNJYVPNKEU-CHWSQXEVSA-N 1 0 330.388 2.034 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171043870 302705168 /nfs/dbraw/zinc/70/51/68/302705168.db2.gz WNEGXPDWQNNGBR-AWEZNQCLSA-N 1 0 332.404 2.389 10 5 EEBERO CCOc1cc(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414753094 313076154 /nfs/dbraw/zinc/07/61/54/313076154.db2.gz DAJZIKYIUAFYKG-NXEZZACHSA-N 1 0 340.380 2.249 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415496088 313131934 /nfs/dbraw/zinc/13/19/34/313131934.db2.gz GBOBYBMYEZHNDU-MRXNPFEDSA-N 1 0 334.376 2.211 10 5 EEBERO CC(C)(C[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415703698 313169117 /nfs/dbraw/zinc/16/91/17/313169117.db2.gz RFMATKNVVNQNNC-UHFFFAOYSA-N 1 0 331.170 2.216 10 5 EEBERO CC(C)(C)c1ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415706481 313169638 /nfs/dbraw/zinc/16/96/38/313169638.db2.gz VDGCFFFPKTWSCW-LBPRGKRZSA-N 1 0 336.392 2.002 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418437579 313813741 /nfs/dbraw/zinc/81/37/41/313813741.db2.gz YLEUIUVUAURGPE-QGZVFWFLSA-N 1 0 342.399 2.479 10 5 EEBERO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000547437950 318288499 /nfs/dbraw/zinc/28/84/99/318288499.db2.gz JOKIGFSVHLGWJT-MLGOLLRUSA-N 1 0 328.372 2.411 10 5 EEBERO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000550764933 318455147 /nfs/dbraw/zinc/45/51/47/318455147.db2.gz QLOPJZIBBCTEQE-OAHLLOKOSA-N 1 0 346.383 2.441 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000565231043 319165091 /nfs/dbraw/zinc/16/50/91/319165091.db2.gz YVQLEUYPAQFVRL-GJZGRUSLSA-N 1 0 348.447 2.066 10 5 EEBERO [NH3+][C@H](CCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000572040523 319810532 /nfs/dbraw/zinc/81/05/32/319810532.db2.gz FHUOHXHUBAGWRW-MRXNPFEDSA-N 1 0 340.383 2.355 10 5 EEBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCN(CC(F)(F)F)CC1 ZINC000339159964 465115612 /nfs/dbraw/zinc/11/56/12/465115612.db2.gz NNEVJVVKPHTHBI-LLVKDONJSA-N 1 0 349.357 2.044 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(NCCCCC[NH+]3CCCCC3)nn21 ZINC000347890102 465288223 /nfs/dbraw/zinc/28/82/23/465288223.db2.gz PDQFBHIZFRGKFI-UHFFFAOYSA-N 1 0 332.408 2.706 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000046722336 462697985 /nfs/dbraw/zinc/69/79/85/462697985.db2.gz ZTMSSCBCYDPCKK-UHFFFAOYSA-N 1 0 344.371 2.491 10 5 EEBERO C[NH+]1CCN(Cc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000066808989 462932487 /nfs/dbraw/zinc/93/24/87/462932487.db2.gz XNBPXHBWKQLRBO-UHFFFAOYSA-N 1 0 341.415 2.349 10 5 EEBERO Cc1cnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000095974197 463120749 /nfs/dbraw/zinc/12/07/49/463120749.db2.gz PYRJATUYYPEWFR-HNNXBMFYSA-N 1 0 334.420 2.379 10 5 EEBERO CCn1cnnc1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137052006 463275186 /nfs/dbraw/zinc/27/51/86/463275186.db2.gz COSZQDBEWCNSOW-MRXNPFEDSA-N 1 0 345.403 2.119 10 5 EEBERO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000080899168 463363880 /nfs/dbraw/zinc/36/38/80/463363880.db2.gz CRNSUTXBCBXFHE-XIKOKIGWSA-N 1 0 349.431 2.361 10 5 EEBERO Cc1c([C@@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000164919001 463636394 /nfs/dbraw/zinc/63/63/94/463636394.db2.gz GSUNOOGNEQYNAP-RHSMWYFYSA-N 1 0 349.431 2.437 10 5 EEBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171620180 463894724 /nfs/dbraw/zinc/89/47/24/463894724.db2.gz AXROKNSSFNXXFH-HNNXBMFYSA-N 1 0 331.376 2.292 10 5 EEBERO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000262169704 463964068 /nfs/dbraw/zinc/96/40/68/463964068.db2.gz HQGXUOMWMVEWDA-FABXCBLPSA-N 1 0 349.387 2.074 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000283793592 464011142 /nfs/dbraw/zinc/01/11/42/464011142.db2.gz SKSHUNNVBSSXGT-TZMCWYRMSA-N 1 0 348.403 2.005 10 5 EEBERO Cc1cc(NC[C@H]2COCC[NH2+]2)c(Br)cc1[N+](=O)[O-] ZINC000235826936 464212151 /nfs/dbraw/zinc/21/21/51/464212151.db2.gz RCRJXFZHFBNXRY-VIFPVBQESA-N 1 0 330.182 2.066 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@H]21 ZINC000285166052 464473975 /nfs/dbraw/zinc/47/39/75/464473975.db2.gz USCXXPBGRBAAKJ-HZPDHXFCSA-N 1 0 328.372 2.052 10 5 EEBERO CCOc1cc(CN2CCO[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000285210560 464487444 /nfs/dbraw/zinc/48/74/44/464487444.db2.gz DPKFVZFJLKRSGY-QGZVFWFLSA-N 1 0 336.388 2.375 10 5 EEBERO CC[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181549848 464504968 /nfs/dbraw/zinc/50/49/68/464504968.db2.gz YEFOZMNJLNZNLN-ZDUSSCGKSA-N 1 0 336.392 2.260 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295103274 464706413 /nfs/dbraw/zinc/70/64/13/464706413.db2.gz KRBWTYYYTMJHOY-CYBMUJFWSA-N 1 0 327.812 2.185 10 5 EEBERO COc1ccc([N+](=O)[O-])c(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000266425610 464774099 /nfs/dbraw/zinc/77/40/99/464774099.db2.gz SSANXTAWYJLUCK-HNNXBMFYSA-N 1 0 348.447 2.210 10 5 EEBERO COC[C@](C)(CCO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000267352387 464927213 /nfs/dbraw/zinc/92/72/13/464927213.db2.gz MCQPQWAQCYOFHJ-ZDUSSCGKSA-N 1 0 347.209 2.234 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000554859430 468446746 /nfs/dbraw/zinc/44/67/46/468446746.db2.gz KVIWNUBERIAROQ-GWCFXTLKSA-N 1 0 349.416 2.192 10 5 EEBERO C[C@H]1CCC[N@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362526805 465806877 /nfs/dbraw/zinc/80/68/77/465806877.db2.gz VJUGZXXMFOOWAU-NSHDSACASA-N 1 0 341.358 2.264 10 5 EEBERO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594040090 468469450 /nfs/dbraw/zinc/46/94/50/468469450.db2.gz DAFQXGFAHYUIAG-YCPHGPKFSA-N 1 0 338.404 2.272 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000372012502 466116252 /nfs/dbraw/zinc/11/62/52/466116252.db2.gz IKQYHYKPFNWZPR-UHFFFAOYSA-N 1 0 340.383 2.338 10 5 EEBERO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000372804204 466595512 /nfs/dbraw/zinc/59/55/12/466595512.db2.gz FEWIRSGPFVZHSI-LSDHHAIUSA-N 1 0 347.415 2.484 10 5 EEBERO COc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000324370339 466646612 /nfs/dbraw/zinc/64/66/12/466646612.db2.gz KOCKYCNLQBCUFM-ZIAGYGMSSA-N 1 0 333.388 2.208 10 5 EEBERO COc1cc(C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000428847841 467274879 /nfs/dbraw/zinc/27/48/79/467274879.db2.gz WPKXOQPVCXZXPB-PXAZEXFGSA-N 1 0 343.383 2.351 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408153701 467519004 /nfs/dbraw/zinc/51/90/04/467519004.db2.gz LHNLBKJOSDVFLX-WCQYABFASA-N 1 0 328.372 2.385 10 5 EEBERO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589511587 468157656 /nfs/dbraw/zinc/15/76/56/468157656.db2.gz WSEZDCUWPPTTDW-GHMZBOCLSA-N 1 0 338.360 2.059 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590221937 468224141 /nfs/dbraw/zinc/22/41/41/468224141.db2.gz RBDATBTUBDDRFL-SECBINFHSA-N 1 0 331.294 2.438 10 5 EEBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600470031 468567055 /nfs/dbraw/zinc/56/70/55/468567055.db2.gz DWQUQIIEGVBBSD-CYBMUJFWSA-N 1 0 347.371 2.070 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592427221 468695439 /nfs/dbraw/zinc/69/54/39/468695439.db2.gz USHGYEUUVSBUAF-CQSZACIVSA-N 1 0 334.376 2.400 10 5 EEBERO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000594968380 468733119 /nfs/dbraw/zinc/73/31/19/468733119.db2.gz WPWHTJVIISWPES-RRFJBIMHSA-N 1 0 338.404 2.259 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000601104697 468742264 /nfs/dbraw/zinc/74/22/64/468742264.db2.gz DFZQCXIJBPOJTN-RKDXNWHRSA-N 1 0 333.314 2.386 10 5 EEBERO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598042537 468747445 /nfs/dbraw/zinc/74/74/45/468747445.db2.gz PMDMLJPBODDPFL-AWEZNQCLSA-N 1 0 334.420 2.340 10 5 EEBERO C[C@H]1C[NH+](CCCCNc2ncc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601127484 468753097 /nfs/dbraw/zinc/75/30/97/468753097.db2.gz HMOYNKDENTZXDQ-RYUDHWBXSA-N 1 0 326.372 2.430 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595092713 468757218 /nfs/dbraw/zinc/75/72/18/468757218.db2.gz ZPFUWRPYVUNLBY-BYCMXARLSA-N 1 0 333.388 2.205 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC2(C1)CC[NH+](C)CC2 ZINC000601166729 468768326 /nfs/dbraw/zinc/76/83/26/468768326.db2.gz QIUKSNMBVLWODS-UHFFFAOYSA-N 1 0 347.341 2.269 10 5 EEBERO [NH3+]Cc1ccc2c(c1)N(CCOc1ccccc1[N+](=O)[O-])CCO2 ZINC000601323523 468826869 /nfs/dbraw/zinc/82/68/69/468826869.db2.gz BPOMUJCFMNNOAF-UHFFFAOYSA-N 1 0 329.356 2.331 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000593467314 468992776 /nfs/dbraw/zinc/99/27/76/468992776.db2.gz OFGCPGIKZAKGIQ-CQSZACIVSA-N 1 0 328.372 2.054 10 5 EEBERO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000595848142 469042080 /nfs/dbraw/zinc/04/20/80/469042080.db2.gz ADLMCTVVIDZAIW-AWEZNQCLSA-N 1 0 335.404 2.340 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+](C)CC(C)C ZINC000593616209 469059675 /nfs/dbraw/zinc/05/96/75/469059675.db2.gz IITDCIFXKUAUQY-UHFFFAOYSA-N 1 0 343.449 2.159 10 5 EEBERO COc1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595935860 469090479 /nfs/dbraw/zinc/09/04/79/469090479.db2.gz WIWIHMQXNPXBTG-HNNXBMFYSA-N 1 0 347.415 2.455 10 5 EEBERO COc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595935019 469090784 /nfs/dbraw/zinc/09/07/84/469090784.db2.gz QKQOUDJXUNPMIG-OAHLLOKOSA-N 1 0 347.415 2.455 10 5 EEBERO C[NH2+]C[C@@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595981518 469106219 /nfs/dbraw/zinc/10/62/19/469106219.db2.gz DNPFRWNEEZELPW-CHWSQXEVSA-N 1 0 334.420 2.169 10 5 EEBERO COc1cc(NC2CCN(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1C ZINC000596074984 469141479 /nfs/dbraw/zinc/14/14/79/469141479.db2.gz DSYNJFDSGLPDRL-UHFFFAOYSA-N 1 0 336.436 2.350 10 5 EEBERO COC(=O)Cc1ccnc(NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000596084040 469146621 /nfs/dbraw/zinc/14/66/21/469146621.db2.gz GHDPQVPVGICJPS-UHFFFAOYSA-N 1 0 331.328 2.326 10 5 EEBERO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599433058 469253955 /nfs/dbraw/zinc/25/39/55/469253955.db2.gz AFYZSCQGIZSZIA-GOEBONIOSA-N 1 0 336.388 2.088 10 5 EEBERO CCOc1cc(CN2CC[NH+](CCCF)CC2)ccc1[N+](=O)[O-] ZINC000599671387 469333128 /nfs/dbraw/zinc/33/31/28/469333128.db2.gz SRQAFDXZTFRFDK-UHFFFAOYSA-N 1 0 325.384 2.471 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599834652 469386564 /nfs/dbraw/zinc/38/65/64/469386564.db2.gz LGKQBUYXPODUKZ-UHFFFAOYSA-N 1 0 329.360 2.168 10 5 EEBERO COCCN(CC[NH+](C)C)C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752031767 577764885 /nfs/dbraw/zinc/76/48/85/577764885.db2.gz YKMVSSAWBRMZON-YPKPFQOOSA-N 1 0 335.404 2.035 10 5 EEBERO C[NH+](C)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234242003 676281273 /nfs/dbraw/zinc/28/12/73/676281273.db2.gz MNUGPIBMTDBRCC-NSHDSACASA-N 1 0 328.210 2.493 10 5 EEBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C2CCC2)cc1 ZINC001480863558 1176067926 /nfs/dbraw/zinc/06/79/26/1176067926.db2.gz YLLNDOMHWFEVPR-IAGOWNOFSA-N 1 0 331.416 2.167 10 5 EEBERO CC[N@H+](CCNC(=O)c1snnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001691008327 1176485290 /nfs/dbraw/zinc/48/52/90/1176485290.db2.gz UVDGMKOAGSRTCI-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO O=C(Cc1ccc[nH]1)NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001691236653 1177752743 /nfs/dbraw/zinc/75/27/43/1177752743.db2.gz JJQOKFVTWWIMTH-UHFFFAOYSA-N 1 0 342.399 2.246 10 5 EEBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1C ZINC001267345809 1178797536 /nfs/dbraw/zinc/79/75/36/1178797536.db2.gz QZQXNCPEHLZMEJ-UHFFFAOYSA-N 1 0 336.417 2.165 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1cncs1 ZINC001267428799 1178996003 /nfs/dbraw/zinc/99/60/03/1178996003.db2.gz CHAAVFJUNACORN-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO CCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)cc1Cl ZINC001480973843 1179406148 /nfs/dbraw/zinc/40/61/48/1179406148.db2.gz ATYMFYAOEWNACH-TZMCWYRMSA-N 1 0 343.786 2.082 10 5 EEBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)ns1 ZINC001269406975 1184243468 /nfs/dbraw/zinc/24/34/68/1184243468.db2.gz BECSPGUHIDZWJH-UHFFFAOYSA-N 1 0 346.412 2.412 10 5 EEBERO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001269847087 1184665404 /nfs/dbraw/zinc/66/54/04/1184665404.db2.gz RCHWFHNBKVBPPR-QWRGUYRKSA-N 1 0 337.351 2.099 10 5 EEBERO CCc1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001691561076 1188263830 /nfs/dbraw/zinc/26/38/30/1188263830.db2.gz KBJBYPRLXPLXNP-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4nc[nH]c4C3)CC2)cc1 ZINC000810252859 1199404947 /nfs/dbraw/zinc/40/49/47/1199404947.db2.gz KFVCKUVKWUXMIM-CQSZACIVSA-N 1 0 341.415 2.434 10 5 EEBERO COCCC1(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000868041625 1201732980 /nfs/dbraw/zinc/73/29/80/1201732980.db2.gz ASTVHQHBCCVRNX-UHFFFAOYSA-N 1 0 341.795 2.137 10 5 EEBERO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000882485485 1201880499 /nfs/dbraw/zinc/88/04/99/1201880499.db2.gz SYJQKZJZMFQSHM-JQWIXIFHSA-N 1 0 341.795 2.226 10 5 EEBERO CCn1nccc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001275968385 1205607597 /nfs/dbraw/zinc/60/75/97/1205607597.db2.gz VSHLQLDYEBYOMJ-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO C[C@H]1[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000928424871 1206381380 /nfs/dbraw/zinc/38/13/80/1206381380.db2.gz FXOOBTFWCPXBLM-HZMBPMFUSA-N 1 0 325.796 2.390 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1C ZINC000928448910 1206385907 /nfs/dbraw/zinc/38/59/07/1206385907.db2.gz DRYRDJVPGDBPRB-BBRMVZONSA-N 1 0 346.431 2.408 10 5 EEBERO C[NH2+]CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000903573227 1240992040 /nfs/dbraw/zinc/99/20/40/1240992040.db2.gz RYZGCDLVUXYVDI-UHFFFAOYSA-N 1 0 328.800 2.117 10 5 EEBERO O=C(CC(F)(F)F)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001491000218 1258567383 /nfs/dbraw/zinc/56/73/83/1258567383.db2.gz OYMCRPGRMHYJEY-PHIMTYICSA-N 1 0 331.294 2.284 10 5 EEBERO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCOC1 ZINC000850485060 1277243395 /nfs/dbraw/zinc/24/33/95/1277243395.db2.gz WTMWLQGRMJNPMK-KDOFPFPSSA-N 1 0 349.431 2.205 10 5 EEBERO Cc1cc(N2CC([NH2+][C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001187739815 1279635445 /nfs/dbraw/zinc/63/54/45/1279635445.db2.gz KLLDGFSENMKEOZ-SNVBAGLBSA-N 1 0 345.321 2.489 10 5 EEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cc(F)ncn2)CC1 ZINC000852128859 1292003088 /nfs/dbraw/zinc/00/30/88/1292003088.db2.gz BWKZNCRKXIMCLD-LBPRGKRZSA-N 1 0 331.351 2.407 10 5 EEBERO Nc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000852906188 1292230399 /nfs/dbraw/zinc/23/03/99/1292230399.db2.gz SZTMJMANMLJQTK-GDBMZVCRSA-N 1 0 340.383 2.053 10 5 EEBERO C[C@H](CCCC[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767439 1293911574 /nfs/dbraw/zinc/91/15/74/1293911574.db2.gz CVYMTKWQSULPKO-SNVBAGLBSA-N 1 0 331.319 2.200 10 5 EEBERO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3CC[N@@H+]3C3CCCC3)cc2N1 ZINC000858780608 1294221610 /nfs/dbraw/zinc/22/16/10/1294221610.db2.gz RCXPGKDMXXTMCG-LBPRGKRZSA-N 1 0 346.387 2.355 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001142927014 1315802122 /nfs/dbraw/zinc/80/21/22/1315802122.db2.gz DGAICOUCLUKOKH-CABCVRRESA-N 1 0 335.404 2.209 10 5 EEBERO C[C@@H]1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001163759851 1321211359 /nfs/dbraw/zinc/21/13/59/1321211359.db2.gz SBSBBZTWWLZYLF-AOOOYVTPSA-N 1 0 331.332 2.238 10 5 EEBERO CCC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001280388330 1324193127 /nfs/dbraw/zinc/19/31/27/1324193127.db2.gz SLTYBQGNOKMQRU-KSLSASGISA-N 1 0 335.448 2.322 10 5 EEBERO CN(CCC[NH2+]Cc1cc(F)ccc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322504520 1333272957 /nfs/dbraw/zinc/27/29/57/1333272957.db2.gz BEZQCHYRHSSNCU-TZMCWYRMSA-N 1 0 343.786 2.082 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC001349693708 1337639665 /nfs/dbraw/zinc/63/96/65/1337639665.db2.gz LWKXFYPRZYHGAV-CXMBCZLWSA-N 1 0 342.399 2.075 10 5 EEBERO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCC[C@H]1O ZINC001620477088 1352359459 /nfs/dbraw/zinc/35/94/59/1352359459.db2.gz OTZRITYNWVCPRX-ZIAGYGMSSA-N 1 0 332.360 2.380 10 5 EEBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001558768607 1342488219 /nfs/dbraw/zinc/48/82/19/1342488219.db2.gz DNETWXHICZTBOL-GOEBONIOSA-N 1 0 332.404 2.325 10 5 EEBERO Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001560139660 1342508203 /nfs/dbraw/zinc/50/82/03/1342508203.db2.gz FPMFQXAZGISTBW-GFCCVEGCSA-N 1 0 345.359 2.104 10 5 EEBERO Cn1cccc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001570097706 1343011833 /nfs/dbraw/zinc/01/18/33/1343011833.db2.gz APYIVMSDGWJPOH-UHFFFAOYSA-N 1 0 342.399 2.376 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C(C)(C)C1 ZINC001597314125 1349922060 /nfs/dbraw/zinc/92/20/60/1349922060.db2.gz PJPOMICRUDGPFR-HNNXBMFYSA-N 1 0 343.387 2.055 10 5 EEBERO C[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC001651893621 1354069018 /nfs/dbraw/zinc/06/90/18/1354069018.db2.gz PWJFHXXFGLFCMC-SNVBAGLBSA-N 1 0 333.348 2.083 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001652284420 1354085268 /nfs/dbraw/zinc/08/52/68/1354085268.db2.gz CVMSCMIQUHFPRO-PXAZEXFGSA-N 1 0 333.388 2.078 10 5 EEBERO COc1cccc(C[C@H]2CN(c3cccnc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001652342411 1354088973 /nfs/dbraw/zinc/08/89/73/1354088973.db2.gz MEFLWYULQZJZSD-AWEZNQCLSA-N 1 0 328.372 2.019 10 5 EEBERO Cn1cnnc1CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001655642597 1354180506 /nfs/dbraw/zinc/18/05/06/1354180506.db2.gz PVVOHSFSZLGNEN-UHFFFAOYSA-N 1 0 345.403 2.057 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001668672470 1355983472 /nfs/dbraw/zinc/98/34/72/1355983472.db2.gz DMKDNVWLRWXMAA-ONEGZZNKSA-N 1 0 326.356 2.066 10 5 EEBERO Cc1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000073186666 784035552 /nfs/dbraw/zinc/03/55/52/784035552.db2.gz OPBJMHDMMJYPHV-OAHLLOKOSA-N 1 0 336.388 2.417 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000819318832 785524964 /nfs/dbraw/zinc/52/49/64/785524964.db2.gz FHSAXDQGZRMMLS-GOEBONIOSA-N 1 0 332.331 2.361 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913274936 788750306 /nfs/dbraw/zinc/75/03/06/788750306.db2.gz QYWSORSZNBECPH-IRXDYDNUSA-N 1 0 335.379 2.077 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001181842087 800929843 /nfs/dbraw/zinc/92/98/43/800929843.db2.gz ZCFXEXXTPQPCJR-HNNXBMFYSA-N 1 0 333.388 2.110 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922737738 801767438 /nfs/dbraw/zinc/76/74/38/801767438.db2.gz MKGBXMMCPUQSDR-UHFFFAOYSA-N 1 0 344.433 2.154 10 5 EEBERO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CCN(CC[NH+](C)C)CC1 ZINC000807925759 812388367 /nfs/dbraw/zinc/38/83/67/812388367.db2.gz SHBZZQGEPJVYOM-UHFFFAOYSA-N 1 0 334.420 2.235 10 5 EEBERO C[C@H]1Cc2n[nH]cc2C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001460781112 1110323728 /nfs/dbraw/zinc/32/37/28/1110323728.db2.gz WWAAOSHBLHBLFV-LBPRGKRZSA-N 1 0 343.387 2.341 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001472447656 1110556341 /nfs/dbraw/zinc/55/63/41/1110556341.db2.gz HJNUFALGYWSQPD-ZDUSSCGKSA-N 1 0 327.331 2.239 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1ccsn1 ZINC001501966587 1113540732 /nfs/dbraw/zinc/54/07/32/1113540732.db2.gz LMQJGRQVNFPFSF-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]cc1C ZINC001568797373 1124810793 /nfs/dbraw/zinc/81/07/93/1124810793.db2.gz DCMOOSZMOMSJHL-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO Cc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)OC1CC[NH+](C)CC1 ZINC000002016076 201359538 /nfs/dbraw/zinc/35/95/38/201359538.db2.gz VTMTVCHHVCVAQT-UHFFFAOYSA-N 1 0 335.316 2.402 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000247182834 243391055 /nfs/dbraw/zinc/39/10/55/243391055.db2.gz LBASZBSIVVCKTC-DOMZBBRYSA-N 1 0 343.387 2.313 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1NCCCCC[NH+]1CCCCC1 ZINC000110599658 204316383 /nfs/dbraw/zinc/31/63/83/204316383.db2.gz FZSIFAKTSRBRMS-UHFFFAOYSA-N 1 0 335.408 2.157 10 5 EEBERO [NH3+]CCOc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000050441385 204607443 /nfs/dbraw/zinc/60/74/43/204607443.db2.gz KVSDSDJAFJFSLG-UHFFFAOYSA-N 1 0 339.971 2.457 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134594080 284758196 /nfs/dbraw/zinc/75/81/96/284758196.db2.gz RKAIQMSYYQKCBH-LBPRGKRZSA-N 1 0 332.404 2.465 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000175014485 207083410 /nfs/dbraw/zinc/08/34/10/207083410.db2.gz BKUNHTRYDMQDOQ-DGCLKSJQSA-N 1 0 343.387 2.170 10 5 EEBERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000176874913 207270040 /nfs/dbraw/zinc/27/00/40/207270040.db2.gz OWJOUORSSYXCOM-AWEZNQCLSA-N 1 0 349.431 2.068 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176881614 207271769 /nfs/dbraw/zinc/27/17/69/207271769.db2.gz WPQHLPXBRGVCSQ-AWEZNQCLSA-N 1 0 349.431 2.068 10 5 EEBERO O=[N+]([O-])c1cccc(C[N@H+](CC2CCS(=O)(=O)CC2)C2CC2)c1 ZINC000271340324 256234571 /nfs/dbraw/zinc/23/45/71/256234571.db2.gz XAGZZLJOIOUXLP-UHFFFAOYSA-N 1 0 338.429 2.384 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000273963137 256341539 /nfs/dbraw/zinc/34/15/39/256341539.db2.gz PMOOHQAWONRRFO-LBPRGKRZSA-N 1 0 337.395 2.470 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177441167 159884843 /nfs/dbraw/zinc/88/48/43/159884843.db2.gz AYAGJQRMNIRTCL-UHFFFAOYSA-N 1 0 332.404 2.435 10 5 EEBERO Cc1cccc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000193562691 160182854 /nfs/dbraw/zinc/18/28/54/160182854.db2.gz OZJPJBQTHSFIFO-AWEZNQCLSA-N 1 0 347.415 2.229 10 5 EEBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245778090 160252642 /nfs/dbraw/zinc/25/26/42/160252642.db2.gz TUYTXKIVSORRGV-ZDUSSCGKSA-N 1 0 327.331 2.476 10 5 EEBERO CCOc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247127284 160311455 /nfs/dbraw/zinc/31/14/55/160311455.db2.gz JGLPNFVSTAEXNR-OCCSQVGLSA-N 1 0 333.388 2.302 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247449856 160325008 /nfs/dbraw/zinc/32/50/08/160325008.db2.gz QDKHGHUAVMVAPE-KBPBESRZSA-N 1 0 335.404 2.162 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000344762764 161243871 /nfs/dbraw/zinc/24/38/71/161243871.db2.gz AOXKXDCBDSHMBL-MRXNPFEDSA-N 1 0 347.415 2.225 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000359087797 164054797 /nfs/dbraw/zinc/05/47/97/164054797.db2.gz YKIMRUJXLGWVRD-OAHLLOKOSA-N 1 0 335.452 2.291 10 5 EEBERO CC[NH+](CC)CCN(CCOC)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000362649729 164750893 /nfs/dbraw/zinc/75/08/93/164750893.db2.gz OTLZAVDLNRHOMR-UHFFFAOYSA-N 1 0 335.408 2.266 10 5 EEBERO COc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000369330341 166238415 /nfs/dbraw/zinc/23/84/15/166238415.db2.gz RQWVZKPWFPZRHW-UHFFFAOYSA-N 1 0 328.368 2.223 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000274840920 269061803 /nfs/dbraw/zinc/06/18/03/269061803.db2.gz OKYHBNWZZKKJQK-AWEZNQCLSA-N 1 0 345.403 2.162 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CCC[NH+](CC)CC)n1 ZINC000191780878 274052144 /nfs/dbraw/zinc/05/21/44/274052144.db2.gz KVRUEVJXFXPGQO-GFCCVEGCSA-N 1 0 325.413 2.052 10 5 EEBERO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277456414 274294323 /nfs/dbraw/zinc/29/43/23/274294323.db2.gz MFJFNBNRNLIADP-CABZTGNLSA-N 1 0 327.768 2.201 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277596005 274317589 /nfs/dbraw/zinc/31/75/89/274317589.db2.gz IFAOCQLEDAETEX-UHFFFAOYSA-N 1 0 327.388 2.452 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000285447889 274733525 /nfs/dbraw/zinc/73/35/25/274733525.db2.gz IQVNIGCSJCJUNU-UHFFFAOYSA-N 1 0 326.418 2.350 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1NCCC[NH+]1CCC(O)CC1 ZINC000291623722 275324077 /nfs/dbraw/zinc/32/40/77/275324077.db2.gz KUGONCCRDZCVOA-UHFFFAOYSA-N 1 0 330.388 2.402 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296915910 294100659 /nfs/dbraw/zinc/10/06/59/294100659.db2.gz ALDYHHHQZDBJHR-AWEZNQCLSA-N 1 0 330.388 2.036 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417713512 313574248 /nfs/dbraw/zinc/57/42/48/313574248.db2.gz HGXLKFXRUNUMIR-KBPBESRZSA-N 1 0 349.435 2.002 10 5 EEBERO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000531635060 317810246 /nfs/dbraw/zinc/81/02/46/317810246.db2.gz FWAVSJFFMSWZRT-CQSZACIVSA-N 1 0 332.360 2.396 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000539920800 318066030 /nfs/dbraw/zinc/06/60/30/318066030.db2.gz PZRZECOVMDKZER-NSHDSACASA-N 1 0 343.811 2.071 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541954206 318119086 /nfs/dbraw/zinc/11/90/86/318119086.db2.gz CAMDPCKBUQOWRO-UHFFFAOYSA-N 1 0 331.319 2.220 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000566100409 319244680 /nfs/dbraw/zinc/24/46/80/319244680.db2.gz PSOIKNHHTLUPSD-DZGCQCFKSA-N 1 0 346.431 2.265 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119624474 462917152 /nfs/dbraw/zinc/91/71/52/462917152.db2.gz YLQRBJWTVSXIAY-GFCCVEGCSA-N 1 0 343.449 2.220 10 5 EEBERO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000080899189 463364088 /nfs/dbraw/zinc/36/40/88/463364088.db2.gz CRNSUTXBCBXFHE-KPZWWZAWSA-N 1 0 349.431 2.361 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1Cl ZINC000268830825 463792274 /nfs/dbraw/zinc/79/22/74/463792274.db2.gz SCYNUWIGFYKEHM-OTYXRUKQSA-N 1 0 341.795 2.421 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171585108 463888107 /nfs/dbraw/zinc/88/81/07/463888107.db2.gz ORSLZMJXZCQHFH-HNNXBMFYSA-N 1 0 344.415 2.115 10 5 EEBERO C[C@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000271698252 464364882 /nfs/dbraw/zinc/36/48/82/464364882.db2.gz GVBFIVFGBWQMMF-LBPRGKRZSA-N 1 0 346.387 2.110 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000284995549 464419342 /nfs/dbraw/zinc/41/93/42/464419342.db2.gz LPKHVDNFNWTCKF-SJORKVTESA-N 1 0 328.372 2.052 10 5 EEBERO CC(C)C[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000282118386 464703365 /nfs/dbraw/zinc/70/33/65/464703365.db2.gz BBTJLFGRLFRLIN-UHFFFAOYSA-N 1 0 344.419 2.168 10 5 EEBERO CCn1cc([C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000190814165 464725517 /nfs/dbraw/zinc/72/55/17/464725517.db2.gz MHKQFSFIPPGENG-QGZVFWFLSA-N 1 0 346.387 2.264 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000192775488 464995153 /nfs/dbraw/zinc/99/51/53/464995153.db2.gz OPNLLUZSQDKJHI-INIZCTEOSA-N 1 0 342.399 2.008 10 5 EEBERO COc1cccc(N2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000337888746 465658190 /nfs/dbraw/zinc/65/81/90/465658190.db2.gz XWSKHXZBSZPQLH-CQSZACIVSA-N 1 0 341.367 2.499 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000330492257 465680419 /nfs/dbraw/zinc/68/04/19/465680419.db2.gz QHULWDBGALYIAV-CYBMUJFWSA-N 1 0 341.433 2.056 10 5 EEBERO CC(C)C[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331123696 465944207 /nfs/dbraw/zinc/94/42/07/465944207.db2.gz NAMLUVMBGNFEFC-UHFFFAOYSA-N 1 0 341.358 2.216 10 5 EEBERO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H](c1ccccc1)[NH+](C)C ZINC000357686249 466210706 /nfs/dbraw/zinc/21/07/06/466210706.db2.gz OQWDCGFGMDHODI-YVEFUNNKSA-N 1 0 340.387 2.741 10 5 EEBERO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347003245 466311352 /nfs/dbraw/zinc/31/13/52/466311352.db2.gz GBTKZZXTPUSIGR-CQSZACIVSA-N 1 0 332.404 2.092 10 5 EEBERO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1[N+](=O)[O-] ZINC000367656700 466473978 /nfs/dbraw/zinc/47/39/78/466473978.db2.gz FHVOIJQVJAFUPW-AWEZNQCLSA-N 1 0 327.388 2.655 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000368501602 466650635 /nfs/dbraw/zinc/65/06/35/466650635.db2.gz BWKNUSYNQVSNME-UHFFFAOYSA-N 1 0 343.339 2.123 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415663555 466704458 /nfs/dbraw/zinc/70/44/58/466704458.db2.gz SIPPEWNEUSMSNP-LBPRGKRZSA-N 1 0 344.318 2.112 10 5 EEBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417728882 466918442 /nfs/dbraw/zinc/91/84/42/466918442.db2.gz PUOHPWSZSCMKLH-XJKSGUPXSA-N 1 0 334.420 2.215 10 5 EEBERO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000376951630 466976494 /nfs/dbraw/zinc/97/64/94/466976494.db2.gz WBJBLZFDGOEQQX-UHFFFAOYSA-N 1 0 346.358 2.362 10 5 EEBERO CN1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000424184301 466999387 /nfs/dbraw/zinc/99/93/87/466999387.db2.gz DBNZUDFRKWMEGO-JTQLQIEISA-N 1 0 343.330 2.154 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000365991507 467016285 /nfs/dbraw/zinc/01/62/85/467016285.db2.gz VKQUWFNTWNVJFN-GFCCVEGCSA-N 1 0 343.387 2.355 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cs1 ZINC000449361501 467633537 /nfs/dbraw/zinc/63/35/37/467633537.db2.gz XKZZHFTXIHOVPB-NSHDSACASA-N 1 0 338.410 2.317 10 5 EEBERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000449419599 467642328 /nfs/dbraw/zinc/64/23/28/467642328.db2.gz BNGUFTSJKWGDQP-LJWDBELGSA-N 1 0 345.346 2.306 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000589516181 468159427 /nfs/dbraw/zinc/15/94/27/468159427.db2.gz LUMCWLCMFRMMCI-CYBMUJFWSA-N 1 0 344.371 2.104 10 5 EEBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600473155 468567907 /nfs/dbraw/zinc/56/79/07/468567907.db2.gz SDGFJVZURQHIKA-GFCCVEGCSA-N 1 0 347.371 2.070 10 5 EEBERO C[C@@H]1CC[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600711641 468629397 /nfs/dbraw/zinc/62/93/97/468629397.db2.gz TVEBFBROCOPEGM-XNRPHZJLSA-N 1 0 329.404 2.148 10 5 EEBERO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000583385106 468689876 /nfs/dbraw/zinc/68/98/76/468689876.db2.gz SOPBZBDTIRPTJL-SFHVURJKSA-N 1 0 340.383 2.384 10 5 EEBERO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594964138 468731745 /nfs/dbraw/zinc/73/17/45/468731745.db2.gz OMXUATDAERHOBH-CYBMUJFWSA-N 1 0 335.404 2.328 10 5 EEBERO CC(C)[NH2+][C@@H]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601109535 468744367 /nfs/dbraw/zinc/74/43/67/468744367.db2.gz RLPSIWHYEAYNFR-SECBINFHSA-N 1 0 335.330 2.314 10 5 EEBERO COc1ccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000595248432 468792524 /nfs/dbraw/zinc/79/25/24/468792524.db2.gz HHHAUHVWUQCHLL-HNNXBMFYSA-N 1 0 341.367 2.454 10 5 EEBERO [NH3+]Cc1ccc2c(c1)N(CCOc1cccc([N+](=O)[O-])c1)CCO2 ZINC000601324017 468827188 /nfs/dbraw/zinc/82/71/88/468827188.db2.gz FMLBNVIBFGVOGQ-UHFFFAOYSA-N 1 0 329.356 2.331 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000598465692 468874582 /nfs/dbraw/zinc/87/45/82/468874582.db2.gz IOCOPMXXQIEENQ-UHFFFAOYSA-N 1 0 337.420 2.383 10 5 EEBERO CC[N@H+](CCCNC(=O)c1nn(C)cc1[N+](=O)[O-])C1CCCCC1 ZINC000593251099 468917034 /nfs/dbraw/zinc/91/70/34/468917034.db2.gz PIBFMJXPFXFPLZ-UHFFFAOYSA-N 1 0 337.424 2.103 10 5 EEBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000610468865 468976175 /nfs/dbraw/zinc/97/61/75/468976175.db2.gz OWHZXGWMAFFOBF-CQSZACIVSA-N 1 0 329.404 2.429 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000601791919 469029100 /nfs/dbraw/zinc/02/91/00/469029100.db2.gz QVZIOZQBMZBCSP-UHFFFAOYSA-N 1 0 348.447 2.364 10 5 EEBERO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000595849502 469042573 /nfs/dbraw/zinc/04/25/73/469042573.db2.gz MIZKBIJHJOYEQF-XBXGTLAGSA-N 1 0 349.387 2.115 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595906743 469075577 /nfs/dbraw/zinc/07/55/77/469075577.db2.gz MPFSLMZLSJMDDM-KRWDZBQOSA-N 1 0 337.420 2.016 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000595907762 469077537 /nfs/dbraw/zinc/07/75/37/469077537.db2.gz XWWLVPFSCDDHIJ-AWEZNQCLSA-N 1 0 348.403 2.279 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595907226 469077705 /nfs/dbraw/zinc/07/77/05/469077705.db2.gz HMVJMXPWDKHZGI-UHFFFAOYSA-N 1 0 325.368 2.378 10 5 EEBERO COc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000599008854 469087130 /nfs/dbraw/zinc/08/71/30/469087130.db2.gz UYZHTMBCKSTOEQ-UHFFFAOYSA-N 1 0 335.404 2.342 10 5 EEBERO O=[N+]([O-])c1c(NC[C@@H](O)C[NH+]2CCCCC2)ccc2cnccc21 ZINC000599019887 469091045 /nfs/dbraw/zinc/09/10/45/469091045.db2.gz NWOBEBBWRBTIRJ-CQSZACIVSA-N 1 0 330.388 2.402 10 5 EEBERO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599039045 469096289 /nfs/dbraw/zinc/09/62/89/469096289.db2.gz HGDWJWRKMUKHOE-CYBMUJFWSA-N 1 0 329.404 2.191 10 5 EEBERO CC1(C)[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000596065157 469136309 /nfs/dbraw/zinc/13/63/09/469136309.db2.gz FDTRQWGEWSALBN-DGCLKSJQSA-N 1 0 330.331 2.215 10 5 EEBERO NC(=O)c1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596120185 469164461 /nfs/dbraw/zinc/16/44/61/469164461.db2.gz IOHKKDPSIKMWDV-CQSZACIVSA-N 1 0 332.404 2.148 10 5 EEBERO COCC[N@@H+]1CC[C@@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596124086 469166548 /nfs/dbraw/zinc/16/65/48/469166548.db2.gz RYWAIFXQUUBNCW-SNVBAGLBSA-N 1 0 329.784 2.389 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1N1CCC([N@@H+]3CCCOCC3)CC1)CCN2 ZINC000596268563 469227634 /nfs/dbraw/zinc/22/76/34/469227634.db2.gz LYEQGAOMGUBJNM-UHFFFAOYSA-N 1 0 346.431 2.254 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596359701 469249908 /nfs/dbraw/zinc/24/99/08/469249908.db2.gz DRLDZQHBDYFYQR-ZDUSSCGKSA-N 1 0 335.452 2.247 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000611615715 469293287 /nfs/dbraw/zinc/29/32/87/469293287.db2.gz PQHBWBXYDCCDAN-OAHLLOKOSA-N 1 0 334.420 2.298 10 5 EEBERO O=[N+]([O-])c1cccc2c1ccnc2N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537405 469296397 /nfs/dbraw/zinc/29/63/97/469296397.db2.gz FHISMCDCTKBNER-CQSZACIVSA-N 1 0 342.399 2.178 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC000646914848 470774446 /nfs/dbraw/zinc/77/44/46/470774446.db2.gz DUPQCUDLWGLLCW-IFXJQAMLSA-N 1 0 347.418 2.457 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])cc1F ZINC000184217472 533822967 /nfs/dbraw/zinc/82/29/67/533822967.db2.gz MBMBMHMNFOCZSF-LLVKDONJSA-N 1 0 334.351 2.466 10 5 EEBERO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763901692 577727700 /nfs/dbraw/zinc/72/77/00/577727700.db2.gz MJGFQXMRXXNMFS-MWLCHTKSSA-N 1 0 327.768 2.201 10 5 EEBERO O=C(CC[NH2+][C@]12C[C@H]1COC21CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000933390289 676657669 /nfs/dbraw/zinc/65/76/69/676657669.db2.gz YURJMIFJUHEDNQ-APPDUMDISA-N 1 0 349.362 2.364 10 5 EEBERO CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H]1CC[N@H+](C)C1 ZINC000898586641 693385948 /nfs/dbraw/zinc/38/59/48/693385948.db2.gz HSKMDCKVMMRURN-ZDUSSCGKSA-N 1 0 342.399 2.496 10 5 EEBERO CC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001485667866 1191888557 /nfs/dbraw/zinc/88/85/57/1191888557.db2.gz XNWXWKJXYSATAZ-XHHFKIEWSA-N 1 0 335.448 2.178 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccccn1 ZINC001266798431 1177449903 /nfs/dbraw/zinc/44/99/03/1177449903.db2.gz QTVQZRJZHHYBDT-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO C/C(=C\C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CC1 ZINC001266898962 1177751045 /nfs/dbraw/zinc/75/10/45/1177751045.db2.gz KICGURSBZZEVLT-GJCCDYOSSA-N 1 0 341.411 2.498 10 5 EEBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cscn1 ZINC001267322719 1178754096 /nfs/dbraw/zinc/75/40/96/1178754096.db2.gz MTXHVIUMWBANJY-UHFFFAOYSA-N 1 0 346.412 2.446 10 5 EEBERO Cc1cncc(CC(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001267408347 1178980610 /nfs/dbraw/zinc/98/06/10/1178980610.db2.gz FKEMJMQYEVYKPD-UHFFFAOYSA-N 1 0 342.399 2.089 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]ccc1C ZINC001268449085 1182624764 /nfs/dbraw/zinc/62/47/64/1182624764.db2.gz USWBZEMWISDYQD-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1 ZINC001482988799 1187962674 /nfs/dbraw/zinc/96/26/74/1187962674.db2.gz YKUPYWUXVUUETK-UPHRSURJSA-N 1 0 344.346 2.205 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000842047654 1188244990 /nfs/dbraw/zinc/24/49/90/1188244990.db2.gz RHBJVOCZWVJDSM-QWRGUYRKSA-N 1 0 336.417 2.096 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccsn1 ZINC001483473079 1190494675 /nfs/dbraw/zinc/49/46/75/1190494675.db2.gz SHSSGKFODCUTOA-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CCc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cc1 ZINC001273084124 1194375670 /nfs/dbraw/zinc/37/56/70/1194375670.db2.gz CEXYWMAUGPRQQW-HZPDHXFCSA-N 1 0 331.416 2.043 10 5 EEBERO COCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000872047638 1198034449 /nfs/dbraw/zinc/03/44/49/1198034449.db2.gz CEBYFNNXMMKMCQ-GHMZBOCLSA-N 1 0 349.366 2.137 10 5 EEBERO CN1Cc2ccccc2[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872235814 1198104386 /nfs/dbraw/zinc/10/43/86/1198104386.db2.gz KHKCPTPJDPNKMZ-ZWKOTPCHSA-N 1 0 327.384 2.405 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865566553 1198279172 /nfs/dbraw/zinc/27/91/72/1198279172.db2.gz KQCYCDOQIPACBJ-NSHDSACASA-N 1 0 329.347 2.425 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000865999379 1198450254 /nfs/dbraw/zinc/45/02/54/1198450254.db2.gz QFKYDPNPLWGJSD-ZDUSSCGKSA-N 1 0 330.388 2.400 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205569 1201464518 /nfs/dbraw/zinc/46/45/18/1201464518.db2.gz FSJMQQVMWDOMNY-LSDHHAIUSA-N 1 0 346.431 2.263 10 5 EEBERO C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881633015 1201729959 /nfs/dbraw/zinc/72/99/59/1201729959.db2.gz CFTRRHPKTSXSBC-GFCCVEGCSA-N 1 0 344.346 2.480 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887939274 1204513766 /nfs/dbraw/zinc/51/37/66/1204513766.db2.gz XRMATZMWJHJHFJ-WBMJQRKESA-N 1 0 335.429 2.097 10 5 EEBERO C[NH+](C)CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928841997 1206426729 /nfs/dbraw/zinc/42/67/29/1206426729.db2.gz ZAIORZPHHAPOGP-KRWDZBQOSA-N 1 0 342.399 2.342 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Br)[C@@H]2C1 ZINC000930543831 1206566217 /nfs/dbraw/zinc/56/62/17/1206566217.db2.gz HLJLPMLMQOIFNZ-IINYFYTJSA-N 1 0 340.221 2.493 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900295214 1234170961 /nfs/dbraw/zinc/17/09/61/1234170961.db2.gz ZNABUFGFDJHROO-HIFRSBDPSA-N 1 0 333.388 2.237 10 5 EEBERO COc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1[N+](=O)[O-] ZINC000900299799 1234177648 /nfs/dbraw/zinc/17/76/48/1234177648.db2.gz KGOUYXLFFAIGLW-ZIAGYGMSSA-N 1 0 333.388 2.237 10 5 EEBERO Cc1ncoc1C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001273495746 1278592990 /nfs/dbraw/zinc/59/29/90/1278592990.db2.gz IYXWACQWZIMGCO-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001197647997 1284729008 /nfs/dbraw/zinc/72/90/08/1284729008.db2.gz XGBWUYQBKKKFPK-LLVKDONJSA-N 1 0 334.376 2.014 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001123864392 1310740021 /nfs/dbraw/zinc/74/00/21/1310740021.db2.gz YFKNINGXBFUDEE-IAGOWNOFSA-N 1 0 347.415 2.011 10 5 EEBERO O=C(CC1CC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001278693042 1317756496 /nfs/dbraw/zinc/75/64/96/1317756496.db2.gz DVEQZPKCHCCMBW-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)c1cnco1 ZINC001280495106 1324255853 /nfs/dbraw/zinc/25/58/53/1324255853.db2.gz KPNFAYQQKAPVQP-UHFFFAOYSA-N 1 0 330.344 2.025 10 5 EEBERO CN(CCC[N@H+](C)CC1CCC(F)(F)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280814583 1324538068 /nfs/dbraw/zinc/53/80/68/1324538068.db2.gz PHRMNCOUQLMGFR-ZIAGYGMSSA-N 1 0 347.406 2.257 10 5 EEBERO CC(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001283024705 1325888200 /nfs/dbraw/zinc/88/82/00/1325888200.db2.gz WIAGWYPVBFKBGO-SHTZXODSSA-N 1 0 335.404 2.004 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001290637097 1328241510 /nfs/dbraw/zinc/24/15/10/1328241510.db2.gz JKBILFFNNVAJKT-AWEZNQCLSA-N 1 0 334.401 2.392 10 5 EEBERO COc1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc([N+](=O)[O-])c1C ZINC001299820299 1330168146 /nfs/dbraw/zinc/16/81/46/1330168146.db2.gz DXSGCJHCERJHBS-LSDHHAIUSA-N 1 0 335.404 2.370 10 5 EEBERO C[NH+](C)CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001303475217 1331355483 /nfs/dbraw/zinc/35/54/83/1331355483.db2.gz AIJHKQSCAXVEMA-KBRIMQKVSA-N 1 0 331.416 2.499 10 5 EEBERO Cc1ocnc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317549404 1332293924 /nfs/dbraw/zinc/29/39/24/1332293924.db2.gz SZBFFLCBDLJMFY-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO CC(C)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCCC1 ZINC001323708956 1333522070 /nfs/dbraw/zinc/52/20/70/1333522070.db2.gz QGEUISBZLMYHED-HZPDHXFCSA-N 1 0 325.453 2.449 10 5 EEBERO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001325616166 1333924340 /nfs/dbraw/zinc/92/43/40/1333924340.db2.gz DTSQPJIMOBFDFA-RNLUMWASSA-N 1 0 335.448 2.367 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001344683172 1337409893 /nfs/dbraw/zinc/40/98/93/1337409893.db2.gz CCRFNOCNOLJKNF-WCFLWFBJSA-N 1 0 334.376 2.065 10 5 EEBERO C[C@H]1C[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000848583994 1338725478 /nfs/dbraw/zinc/72/54/78/1338725478.db2.gz LBCVEWDURZWNQU-QWRGUYRKSA-N 1 0 343.330 2.165 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001617913450 1352346131 /nfs/dbraw/zinc/34/61/31/1352346131.db2.gz PBSKKOXKRKVFDH-ZDUSSCGKSA-N 1 0 335.404 2.407 10 5 EEBERO Cc1ccc(NCCCNC(=O)[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001618078537 1352348042 /nfs/dbraw/zinc/34/80/42/1352348042.db2.gz NAMCTTWPJFREBH-CQSZACIVSA-N 1 0 336.436 2.409 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nc(CN3CCN4C[C@@H](F)C[C@H]4C3)co2)cc1 ZINC001620642648 1352361543 /nfs/dbraw/zinc/36/15/43/1352361543.db2.gz DBQZBWPBEVBPAF-BBRMVZONSA-N 1 0 346.362 2.478 10 5 EEBERO CCOCCC(=O)N1CCC(C)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001502772084 1342232536 /nfs/dbraw/zinc/23/25/36/1342232536.db2.gz IANZCCAXWDYLOF-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001556745597 1342433559 /nfs/dbraw/zinc/43/35/59/1342433559.db2.gz YSLAWEDIJVAULS-GFCCVEGCSA-N 1 0 325.796 2.343 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC001626991419 1352479858 /nfs/dbraw/zinc/47/98/58/1352479858.db2.gz NUQLUTRNJIKTGE-CYBMUJFWSA-N 1 0 335.404 2.455 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001632289982 1352595732 /nfs/dbraw/zinc/59/57/32/1352595732.db2.gz FKKHEGYAMXDKLJ-SNVBAGLBSA-N 1 0 343.815 2.069 10 5 EEBERO O=C(Nc1cc([N+](=O)[O-])n[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001651834798 1354067184 /nfs/dbraw/zinc/06/71/84/1354067184.db2.gz ILMBWWAGHFWDJJ-UHFFFAOYSA-N 1 0 329.360 2.169 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001652316643 1354087329 /nfs/dbraw/zinc/08/73/29/1354087329.db2.gz BQHGQXBNGJDLID-PBHICJAKSA-N 1 0 328.372 2.298 10 5 EEBERO C[C@@](CO)([NH2+]Cc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC001659773062 1354385992 /nfs/dbraw/zinc/38/59/92/1354385992.db2.gz IJCNMDOSRAZJKU-KRWDZBQOSA-N 1 0 326.356 2.468 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCOC12CCCC2 ZINC001660537734 1354484695 /nfs/dbraw/zinc/48/46/95/1354484695.db2.gz ZPWFQUGUEFIYCF-OAHLLOKOSA-N 1 0 349.387 2.233 10 5 EEBERO CCc1cc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001670316366 1356317639 /nfs/dbraw/zinc/31/76/39/1356317639.db2.gz SCDMDIWIIDTZOC-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC000908494944 785453367 /nfs/dbraw/zinc/45/33/67/785453367.db2.gz RRMAMUCSXKCFOQ-UHFFFAOYSA-N 1 0 349.435 2.196 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000819190020 785454858 /nfs/dbraw/zinc/45/48/58/785454858.db2.gz YPZUZBQOWKFRKD-MRXNPFEDSA-N 1 0 328.372 2.128 10 5 EEBERO C/C(=C\C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000911828352 787746332 /nfs/dbraw/zinc/74/63/32/787746332.db2.gz BITWGGMKUWRXQP-MIAKERSBSA-N 1 0 329.400 2.408 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823998560 788013648 /nfs/dbraw/zinc/01/36/48/788013648.db2.gz QRPPHZKVCIUHIA-UHFFFAOYSA-N 1 0 335.408 2.421 10 5 EEBERO Nc1c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000912904562 788484014 /nfs/dbraw/zinc/48/40/14/788484014.db2.gz WJNYAKAWIHNSPT-ZDUSSCGKSA-N 1 0 340.383 2.250 10 5 EEBERO C[NH+](C)C1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000913384994 788833523 /nfs/dbraw/zinc/83/35/23/788833523.db2.gz LVRNVQNUSSDVQY-UHFFFAOYSA-N 1 0 329.759 2.488 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923537836 789741165 /nfs/dbraw/zinc/74/11/65/789741165.db2.gz DFOSBGCRMVDIJH-KBXCAEBGSA-N 1 0 346.431 2.448 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845494533 789815219 /nfs/dbraw/zinc/81/52/19/789815219.db2.gz DITBDXMFAFRFIZ-SNVBAGLBSA-N 1 0 331.775 2.280 10 5 EEBERO CCON(C)C(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000846064941 790050926 /nfs/dbraw/zinc/05/09/26/790050926.db2.gz OFZIWTDUMUCZLI-ZFWWWQNUSA-N 1 0 335.404 2.306 10 5 EEBERO COC(=O)[C@]12C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C[C@H]1COCC2 ZINC000369545551 795911837 /nfs/dbraw/zinc/91/18/37/795911837.db2.gz IDJWFGIVDXXTDG-QWQRMKEZSA-N 1 0 348.399 2.476 10 5 EEBERO CC/C=C\CC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171510802 796623214 /nfs/dbraw/zinc/62/32/14/796623214.db2.gz LFCOLNHTFRLFIB-PLNGDYQASA-N 1 0 341.433 2.161 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+]2CCC1CC2 ZINC000790779555 808914820 /nfs/dbraw/zinc/91/48/20/808914820.db2.gz PBTMDYKYOWMVEL-UHFFFAOYSA-N 1 0 338.795 2.238 10 5 EEBERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793608083 810431650 /nfs/dbraw/zinc/43/16/50/810431650.db2.gz HPBNMLIFDBHCHU-SMDDNHRTSA-N 1 0 330.812 2.496 10 5 EEBERO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001444662741 1099500392 /nfs/dbraw/zinc/50/03/92/1099500392.db2.gz KBQZSJGMPSHAHQ-GFCCVEGCSA-N 1 0 349.387 2.442 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc(F)c1 ZINC001498523105 1107671532 /nfs/dbraw/zinc/67/15/32/1107671532.db2.gz DKJRUQORLRJOQI-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(NCCC[NH+]3CCCC3)c2c1 ZINC001458071312 1109829189 /nfs/dbraw/zinc/82/91/89/1109829189.db2.gz HJTIHUIVGLUTII-UHFFFAOYSA-N 1 0 330.388 2.471 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001469334313 1110489615 /nfs/dbraw/zinc/48/96/15/1110489615.db2.gz WXHWUJTZZZTFSE-HUUCEWRRSA-N 1 0 335.404 2.452 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001471878422 1110534511 /nfs/dbraw/zinc/53/45/11/1110534511.db2.gz KRWUFDUSTDJBNU-UHFFFAOYSA-N 1 0 347.415 2.113 10 5 EEBERO COc1cccc(C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[NH2+]2)c1 ZINC001472906529 1110565691 /nfs/dbraw/zinc/56/56/91/1110565691.db2.gz NIXZJFPBYVXDMZ-ZDUSSCGKSA-N 1 0 346.362 2.158 10 5 EEBERO CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](CC)CC)cc1 ZINC001523945242 1119932489 /nfs/dbraw/zinc/93/24/89/1119932489.db2.gz CZRGELJQTOAQCO-ZACQAIPSSA-N 1 0 333.432 2.413 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001528157898 1120957527 /nfs/dbraw/zinc/95/75/27/1120957527.db2.gz ULMKNVKRNAIYFZ-KCQAQPDRSA-N 1 0 346.431 2.469 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)n1 ZINC000191618286 237261030 /nfs/dbraw/zinc/26/10/30/237261030.db2.gz LBOGUDFMCURPMN-UHFFFAOYSA-N 1 0 349.435 2.148 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000423003683 240327025 /nfs/dbraw/zinc/32/70/25/240327025.db2.gz MZNJLDGDLZESFV-ZDUSSCGKSA-N 1 0 335.360 2.098 10 5 EEBERO CC1(C)COC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451806023 243271815 /nfs/dbraw/zinc/27/18/15/243271815.db2.gz CIEFCXXLWIPQDX-GFCCVEGCSA-N 1 0 327.768 2.201 10 5 EEBERO CC1(C)COC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451811896 243275161 /nfs/dbraw/zinc/27/51/61/243275161.db2.gz SFLQZCYAAREIGN-GFCCVEGCSA-N 1 0 327.768 2.201 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076481739 203355534 /nfs/dbraw/zinc/35/55/34/203355534.db2.gz QBTDIEUSMRMITE-TZMCWYRMSA-N 1 0 335.404 2.406 10 5 EEBERO CC[NH+](CC)CC(=O)N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103492661 204081395 /nfs/dbraw/zinc/08/13/95/204081395.db2.gz YYHPNBWPWRZERE-OAHLLOKOSA-N 1 0 348.447 2.142 10 5 EEBERO Cc1noc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105469369 204147123 /nfs/dbraw/zinc/14/71/23/204147123.db2.gz SVNMPKDUTAEORK-UHFFFAOYSA-N 1 0 342.359 2.019 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246761012 205231264 /nfs/dbraw/zinc/23/12/64/205231264.db2.gz HTXILJOHNWJTIL-LSDHHAIUSA-N 1 0 348.447 2.220 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264941497 247067795 /nfs/dbraw/zinc/06/77/95/247067795.db2.gz IIRIQXPYNHZSIF-WCQYABFASA-N 1 0 328.372 2.385 10 5 EEBERO Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266133932 248119888 /nfs/dbraw/zinc/11/98/88/248119888.db2.gz DZCKCVXANPNYQB-XJKSGUPXSA-N 1 0 330.388 2.246 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000175168000 207099764 /nfs/dbraw/zinc/09/97/64/207099764.db2.gz AJNSYQRQMUWPKA-ZDUSSCGKSA-N 1 0 332.404 2.400 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270321458 256123555 /nfs/dbraw/zinc/12/35/55/256123555.db2.gz UOLAZPBMUMIHON-AWEZNQCLSA-N 1 0 330.388 2.171 10 5 EEBERO CC(C)[N@@H+](CCc1nccs1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090589625 292219473 /nfs/dbraw/zinc/21/94/73/292219473.db2.gz CRAXHTREQYJVFE-UHFFFAOYSA-N 1 0 336.417 2.166 10 5 EEBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262711772 152309946 /nfs/dbraw/zinc/30/99/46/152309946.db2.gz CSTGFRYTRRYSQW-GWCFXTLKSA-N 1 0 346.412 2.446 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000249204375 160376349 /nfs/dbraw/zinc/37/63/49/160376349.db2.gz AVOAOJMXQUAEEM-JKSUJKDBSA-N 1 0 342.399 2.224 10 5 EEBERO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1ccccc1 ZINC000249488861 160381212 /nfs/dbraw/zinc/38/12/12/160381212.db2.gz UWCCCTRQHBZMIL-DLBZAZTESA-N 1 0 340.383 2.352 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000043893210 158905742 /nfs/dbraw/zinc/90/57/42/158905742.db2.gz NCBKDIBWIVVGGC-CYBMUJFWSA-N 1 0 337.424 2.036 10 5 EEBERO CCC[NH+]1CCC(CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000190170961 160155758 /nfs/dbraw/zinc/15/57/58/160155758.db2.gz AYBAPWURZPNEGD-UHFFFAOYSA-N 1 0 336.392 2.310 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)C2O ZINC000369378764 166248622 /nfs/dbraw/zinc/24/86/22/166248622.db2.gz UVZZLKPRLPXDIV-RAGMHUQYSA-N 1 0 333.388 2.015 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000375221866 167090124 /nfs/dbraw/zinc/09/01/24/167090124.db2.gz HHLOXKZGIUWZPP-CYBMUJFWSA-N 1 0 332.404 2.454 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000274131988 274186937 /nfs/dbraw/zinc/18/69/37/274186937.db2.gz WKDKBRWOEWRKIQ-UWVGGRQHSA-N 1 0 333.348 2.004 10 5 EEBERO CS[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000278539022 274368583 /nfs/dbraw/zinc/36/85/83/274368583.db2.gz UTJWKJYIHRRBHL-CABCVRRESA-N 1 0 347.444 2.487 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292212133 275394723 /nfs/dbraw/zinc/39/47/23/275394723.db2.gz UDQSEIBGTYODLM-RDTXWAMCSA-N 1 0 346.431 2.258 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247397152 297101070 /nfs/dbraw/zinc/10/10/70/297101070.db2.gz PDHISCSNJFKWRW-DOMZBBRYSA-N 1 0 333.388 2.130 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413171498 312809953 /nfs/dbraw/zinc/80/99/53/312809953.db2.gz QFKHWKDTCQGSGM-AWEZNQCLSA-N 1 0 330.388 2.036 10 5 EEBERO C[C@H]([NH3+])CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700291 313168577 /nfs/dbraw/zinc/16/85/77/313168577.db2.gz LZHWMAJQYHFXKT-ZETCQYMHSA-N 1 0 331.170 2.216 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417717828 313575428 /nfs/dbraw/zinc/57/54/28/313575428.db2.gz LCOPJILGAITHAL-WBVHZDCISA-N 1 0 346.431 2.311 10 5 EEBERO COC(=O)c1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc(C)c1[N+](=O)[O-] ZINC000425278788 314371602 /nfs/dbraw/zinc/37/16/02/314371602.db2.gz FLICJUUXLCOKSH-SWLSCSKDSA-N 1 0 333.388 2.220 10 5 EEBERO CC[NH+]1CCN([C@H](C)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000563807479 319045271 /nfs/dbraw/zinc/04/52/71/319045271.db2.gz ZLAIZRXFYSVTDE-CQSZACIVSA-N 1 0 347.463 2.307 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354619423 465059742 /nfs/dbraw/zinc/05/97/42/465059742.db2.gz GGZWRIKGTMKKFA-BETUJISGSA-N 1 0 341.433 2.136 10 5 EEBERO COc1cc(N2CCC([N@H+](C)CCCO)CC2)c([N+](=O)[O-])cc1F ZINC000126676840 463656351 /nfs/dbraw/zinc/65/63/51/463656351.db2.gz OGNBLUSYPZNVPS-UHFFFAOYSA-N 1 0 341.383 2.026 10 5 EEBERO C[NH+](C)C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000193810714 463743762 /nfs/dbraw/zinc/74/37/62/463743762.db2.gz WWDDZFIAJQLOAL-UHFFFAOYSA-N 1 0 331.376 2.171 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171584990 463887875 /nfs/dbraw/zinc/88/78/75/463887875.db2.gz WQQAQHVBSKBKPM-MRXNPFEDSA-N 1 0 332.404 2.094 10 5 EEBERO Cc1c(NC(=O)CCN2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000178624714 463932297 /nfs/dbraw/zinc/93/22/97/463932297.db2.gz DTIVLPRPIOGDID-CQSZACIVSA-N 1 0 332.404 2.012 10 5 EEBERO COc1cnccc1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000187008870 464090368 /nfs/dbraw/zinc/09/03/68/464090368.db2.gz HRDWFSAWJKDWAU-OLZOCXBDSA-N 1 0 347.371 2.089 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)cc1 ZINC000172800122 464146156 /nfs/dbraw/zinc/14/61/56/464146156.db2.gz GPTRAEYKZVUUID-OAHLLOKOSA-N 1 0 343.387 2.315 10 5 EEBERO C[NH+](C)CCCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000523655668 468399564 /nfs/dbraw/zinc/39/95/64/468399564.db2.gz BFOLRQBIXGFVED-UHFFFAOYSA-N 1 0 348.447 2.269 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C1CC1 ZINC000180584849 464341981 /nfs/dbraw/zinc/34/19/81/464341981.db2.gz VVNHISFVAZATRO-GJZGRUSLSA-N 1 0 327.388 2.112 10 5 EEBERO CC[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181535966 464503342 /nfs/dbraw/zinc/50/33/42/464503342.db2.gz NAMSETHYRMSLHS-ZENOOKHLSA-N 1 0 335.404 2.271 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272618812 464679967 /nfs/dbraw/zinc/67/99/67/464679967.db2.gz XXHZDBUFOWVYPX-NSHDSACASA-N 1 0 327.331 2.145 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249280003 464859151 /nfs/dbraw/zinc/85/91/51/464859151.db2.gz NCFNGRXITJRBCP-BXUZGUMPSA-N 1 0 336.392 2.454 10 5 EEBERO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000347941084 465323246 /nfs/dbraw/zinc/32/32/46/465323246.db2.gz GYMCYQWAKIEGJB-QGZVFWFLSA-N 1 0 342.399 2.102 10 5 EEBERO Cc1ccc(OC[C@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000569111508 468441664 /nfs/dbraw/zinc/44/16/64/468441664.db2.gz RRBFVSWGWBKDOQ-QGZVFWFLSA-N 1 0 330.384 2.475 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361172911 465815437 /nfs/dbraw/zinc/81/54/37/465815437.db2.gz YBJDAVPHAJTNHR-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366991121 466059536 /nfs/dbraw/zinc/05/95/36/466059536.db2.gz WKOUJISJXLKYDH-GFCCVEGCSA-N 1 0 343.387 2.355 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000353978790 466296259 /nfs/dbraw/zinc/29/62/59/466296259.db2.gz NSAFJBVUXWWDLF-OLZOCXBDSA-N 1 0 340.445 2.471 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000569392058 468483613 /nfs/dbraw/zinc/48/36/13/468483613.db2.gz RWNSJYXBPCCPBX-UHFFFAOYSA-N 1 0 332.360 2.177 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000363448443 466410170 /nfs/dbraw/zinc/41/01/70/466410170.db2.gz YWMPJXGUPZOFEW-UHFFFAOYSA-N 1 0 347.415 2.088 10 5 EEBERO C[NH+](C)C[C@@H](O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807193 466472156 /nfs/dbraw/zinc/47/21/56/466472156.db2.gz GRMRPQKKUXAFQC-ROUUACIJSA-N 1 0 329.400 2.196 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000368471696 466645354 /nfs/dbraw/zinc/64/53/54/466645354.db2.gz VMNXQDJLHCHTAW-GUYCJALGSA-N 1 0 347.415 2.191 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377799421 467142480 /nfs/dbraw/zinc/14/24/80/467142480.db2.gz UTLARKYIOVJVGV-YPMHNXCESA-N 1 0 343.387 2.182 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000531890197 468083175 /nfs/dbraw/zinc/08/31/75/468083175.db2.gz OAXGSVLNTRNUTP-MRXNPFEDSA-N 1 0 340.383 2.336 10 5 EEBERO CC(C)C1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000488488023 468088820 /nfs/dbraw/zinc/08/88/20/468088820.db2.gz ZXOPDXMRICKOEV-UHFFFAOYSA-N 1 0 326.418 2.393 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000589498430 468157101 /nfs/dbraw/zinc/15/71/01/468157101.db2.gz PQKDJNQKEGJLSQ-HNNXBMFYSA-N 1 0 333.388 2.050 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590010379 468205313 /nfs/dbraw/zinc/20/53/13/468205313.db2.gz GNWSGKWRAPZWCH-XJKSGUPXSA-N 1 0 328.372 2.386 10 5 EEBERO Nc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600472057 468567725 /nfs/dbraw/zinc/56/77/25/468567725.db2.gz MKFOARGEAHEUPM-LBPRGKRZSA-N 1 0 336.367 2.063 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000600763686 468651282 /nfs/dbraw/zinc/65/12/82/468651282.db2.gz GQMVOSMNYPLKNN-AWEZNQCLSA-N 1 0 325.434 2.247 10 5 EEBERO [NH3+]C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOCC1 ZINC000600776267 468655235 /nfs/dbraw/zinc/65/52/35/468655235.db2.gz QQLXFHIIALMUTR-UHFFFAOYSA-N 1 0 348.428 2.316 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594793961 468688028 /nfs/dbraw/zinc/68/80/28/468688028.db2.gz XLRYZYCVQQGVFN-SNVBAGLBSA-N 1 0 347.462 2.055 10 5 EEBERO CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000597946973 468720955 /nfs/dbraw/zinc/72/09/55/468720955.db2.gz UJQWOFHACAONLS-INIZCTEOSA-N 1 0 334.420 2.340 10 5 EEBERO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1c1ccc(F)cc1 ZINC000595223824 468788087 /nfs/dbraw/zinc/78/80/87/468788087.db2.gz BJTCXFCFAYOUJB-HUUCEWRRSA-N 1 0 344.346 2.086 10 5 EEBERO CCC[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598341973 468837181 /nfs/dbraw/zinc/83/71/81/468837181.db2.gz JQTHYVPCWJTEAO-JTQLQIEISA-N 1 0 327.331 2.016 10 5 EEBERO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593189682 468900384 /nfs/dbraw/zinc/90/03/84/468900384.db2.gz YENXRRLYULCQQF-HBNTYKKESA-N 1 0 341.358 2.355 10 5 EEBERO CC[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598531274 468902090 /nfs/dbraw/zinc/90/20/90/468902090.db2.gz HRDVNUNADNCUFZ-GXSJLCMTSA-N 1 0 343.330 2.409 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595757475 468992667 /nfs/dbraw/zinc/99/26/67/468992667.db2.gz JQFXRKGYWLRERK-DYVFJYSZSA-N 1 0 333.388 2.200 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000595837726 469035359 /nfs/dbraw/zinc/03/53/59/469035359.db2.gz SHWWIKJNQWVVKJ-HNNXBMFYSA-N 1 0 347.371 2.202 10 5 EEBERO COCC1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000595908685 469077353 /nfs/dbraw/zinc/07/73/53/469077353.db2.gz JQRCKARDOKPYRU-UHFFFAOYSA-N 1 0 347.415 2.423 10 5 EEBERO COC(=O)C(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000611404624 469242341 /nfs/dbraw/zinc/24/23/41/469242341.db2.gz INIQSXFNYIKJRM-OAHLLOKOSA-N 1 0 346.387 2.321 10 5 EEBERO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c(F)c1 ZINC000599543064 469287336 /nfs/dbraw/zinc/28/73/36/469287336.db2.gz IVBQBKCGLCYSRR-OAHLLOKOSA-N 1 0 338.379 2.487 10 5 EEBERO O=[N+]([O-])c1cc2ccccc2nc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596540489 469297075 /nfs/dbraw/zinc/29/70/75/469297075.db2.gz TTXQNMDJBBDDDF-OAHLLOKOSA-N 1 0 342.399 2.178 10 5 EEBERO Nc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000596569606 469303259 /nfs/dbraw/zinc/30/32/59/469303259.db2.gz ACAKJTYHGBXXKL-ZDUSSCGKSA-N 1 0 334.420 2.203 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1SC ZINC000609135977 469894464 /nfs/dbraw/zinc/89/44/64/469894464.db2.gz VFJYFYOZTDZPOJ-SNVBAGLBSA-N 1 0 339.417 2.149 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cn1 ZINC000726944134 576354887 /nfs/dbraw/zinc/35/48/87/576354887.db2.gz WARYJPIOWYTNJJ-YVMONPNESA-N 1 0 329.360 2.005 10 5 EEBERO CC[C@H]([NH2+]CC(=O)NCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000775543156 577439221 /nfs/dbraw/zinc/43/92/21/577439221.db2.gz UBIGNYWQNPUJPK-INIZCTEOSA-N 1 0 328.372 2.347 10 5 EEBERO C[N@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000119661050 683572233 /nfs/dbraw/zinc/57/22/33/683572233.db2.gz DKNUFVAGKFSQFM-UHFFFAOYSA-N 1 0 347.462 2.199 10 5 EEBERO CCc1n[nH]c(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000914443347 683784488 /nfs/dbraw/zinc/78/44/88/683784488.db2.gz MMODMGJGJKLZTC-NWDGAFQWSA-N 1 0 337.424 2.215 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000897825870 691793904 /nfs/dbraw/zinc/79/39/04/691793904.db2.gz QLXNTWYTPWHWKE-SWLSCSKDSA-N 1 0 340.383 2.106 10 5 EEBERO C[NH+](C)C1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000127978728 693057803 /nfs/dbraw/zinc/05/78/03/693057803.db2.gz UPNLJZCFENDLMZ-UHFFFAOYSA-N 1 0 340.811 2.213 10 5 EEBERO Cc1cncc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001266667165 1177097637 /nfs/dbraw/zinc/09/76/37/1177097637.db2.gz RVCVRBFZKQMOJI-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO Cc1ncccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001481274500 1180611510 /nfs/dbraw/zinc/61/15/10/1180611510.db2.gz SNSGZIMIFMYAIW-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CCc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001482218752 1184270743 /nfs/dbraw/zinc/27/07/43/1184270743.db2.gz VAUFRTALQWGLLP-IAGOWNOFSA-N 1 0 345.443 2.433 10 5 EEBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Cc1cccnc1 ZINC001483460685 1190486159 /nfs/dbraw/zinc/48/61/59/1190486159.db2.gz IEMNFQYDKTVCSN-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO CN(CC(C)(C)C[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485250734 1191703838 /nfs/dbraw/zinc/70/38/38/1191703838.db2.gz QCSOPTZNSYKFIR-ZIAGYGMSSA-N 1 0 325.453 2.162 10 5 EEBERO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018849 1198026771 /nfs/dbraw/zinc/02/67/71/1198026771.db2.gz QOYPOQJPHBPOLL-LBPRGKRZSA-N 1 0 325.384 2.495 10 5 EEBERO CC1(C)CC[NH2+]CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000872290402 1198130643 /nfs/dbraw/zinc/13/06/43/1198130643.db2.gz OIHRZBDYDDFPMZ-UHFFFAOYSA-N 1 0 346.431 2.409 10 5 EEBERO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000869769776 1200267576 /nfs/dbraw/zinc/26/75/76/1200267576.db2.gz AYHRSHWAWYLXFM-UHFFFAOYSA-N 1 0 335.404 2.025 10 5 EEBERO CC1(C)CC[NH2+]CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000866700069 1201583517 /nfs/dbraw/zinc/58/35/17/1201583517.db2.gz QDPMUFIEJYNVDX-UHFFFAOYSA-N 1 0 340.811 2.261 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000794951715 1201598591 /nfs/dbraw/zinc/59/85/91/1201598591.db2.gz CUXZILNEQQTJRK-FZMZJTMJSA-N 1 0 340.221 2.493 10 5 EEBERO O=C(NC1(C[NH2+]CCc2ccccc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276199689 1205829569 /nfs/dbraw/zinc/82/95/69/1205829569.db2.gz DULGBRKDDOXCBJ-IAGOWNOFSA-N 1 0 345.443 2.303 10 5 EEBERO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC000928102006 1206343864 /nfs/dbraw/zinc/34/38/64/1206343864.db2.gz KXZXRINYDPBPQN-UKRRQHHQSA-N 1 0 335.429 2.213 10 5 EEBERO C[C@H]1[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928448784 1206385952 /nfs/dbraw/zinc/38/59/52/1206385952.db2.gz OQBNEEVCBRMRDQ-JQWIXIFHSA-N 1 0 341.795 2.226 10 5 EEBERO C[C@H]([NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000930208390 1206541418 /nfs/dbraw/zinc/54/14/18/1206541418.db2.gz OTSAJRJLGMXMSJ-STQMWFEESA-N 1 0 335.404 2.271 10 5 EEBERO [NH3+][C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000903536298 1240837713 /nfs/dbraw/zinc/83/77/13/1240837713.db2.gz YGSCKZOBDCFDLG-QWHCGFSZSA-N 1 0 333.310 2.185 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CN1CCCC[C@@]3(CC[NH2+]C3)C1)OCCO2 ZINC000903959629 1242730446 /nfs/dbraw/zinc/73/04/46/1242730446.db2.gz LEDZKDXAZKRULR-SFHVURJKSA-N 1 0 347.415 2.332 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@H](CO)CC2)o1 ZINC001194734241 1283256168 /nfs/dbraw/zinc/25/61/68/1283256168.db2.gz QIQYMEMDEYNFHO-LBPRGKRZSA-N 1 0 332.360 2.239 10 5 EEBERO COCC[N@H+](CCF)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000852482714 1292123590 /nfs/dbraw/zinc/12/35/90/1292123590.db2.gz LNSVXSNRBFPTRP-UHFFFAOYSA-N 1 0 327.356 2.150 10 5 EEBERO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3CC[N@@H+]3C3CCCC3)cc2N1 ZINC000858780607 1294222088 /nfs/dbraw/zinc/22/20/88/1294222088.db2.gz RCXPGKDMXXTMCG-GFCCVEGCSA-N 1 0 346.387 2.355 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000859773919 1294642358 /nfs/dbraw/zinc/64/23/58/1294642358.db2.gz GPMZJKVGCXWENZ-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO O=C1OC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]12 ZINC000862545245 1295875054 /nfs/dbraw/zinc/87/50/54/1295875054.db2.gz LWNFNKLHKGEDEX-BXUZGUMPSA-N 1 0 328.324 2.460 10 5 EEBERO CCC1(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)CC1 ZINC001265721241 1323352354 /nfs/dbraw/zinc/35/23/54/1323352354.db2.gz XHQQCDRPJRGYKK-ZSHCYNCHSA-N 1 0 329.400 2.331 10 5 EEBERO Cc1c[nH]cc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001316865590 1331778186 /nfs/dbraw/zinc/77/81/86/1331778186.db2.gz NMCRWYDLQWSZHJ-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cncnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001317541857 1332290808 /nfs/dbraw/zinc/29/08/08/1332290808.db2.gz GCEBMURVDOBTDU-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO CN(CC[NH+]1CC2(C1)CCOCC2)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC001331908671 1335672436 /nfs/dbraw/zinc/67/24/36/1335672436.db2.gz YRZNBKFPZOAVJJ-UHFFFAOYSA-N 1 0 346.431 2.111 10 5 EEBERO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001616328105 1352327976 /nfs/dbraw/zinc/32/79/76/1352327976.db2.gz JAGJUNRVIDZZOL-JYXJIEJFSA-N 1 0 331.416 2.162 10 5 EEBERO CC[C@]1(O)CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001560059991 1342506501 /nfs/dbraw/zinc/50/65/01/1342506501.db2.gz CDRSPVJBNCYHCQ-INIZCTEOSA-N 1 0 332.360 2.382 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCC(F)(F)F ZINC001567478145 1342766780 /nfs/dbraw/zinc/76/67/80/1342766780.db2.gz VPJOSQHMMPWZJW-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO Cc1noc(C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001620623307 1344575998 /nfs/dbraw/zinc/57/59/98/1344575998.db2.gz RSQXCQPKGUCJNR-XJKSGUPXSA-N 1 0 346.387 2.274 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CC)CC1 ZINC001597344953 1349922853 /nfs/dbraw/zinc/92/28/53/1349922853.db2.gz CVQMSQCLGQHCGX-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001598113792 1349935514 /nfs/dbraw/zinc/93/55/14/1349935514.db2.gz XFAWMFNLKOBBSO-UWVGGRQHSA-N 1 0 340.811 2.385 10 5 EEBERO C[NH+](C)Cc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC001639889802 1352703004 /nfs/dbraw/zinc/70/30/04/1352703004.db2.gz FSDGGHOBLGKGGW-UHFFFAOYSA-N 1 0 328.372 2.024 10 5 EEBERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001651304719 1354048266 /nfs/dbraw/zinc/04/82/66/1354048266.db2.gz NTBKHXQEHLJGLS-ZIAGYGMSSA-N 1 0 337.807 2.486 10 5 EEBERO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001651332520 1354049352 /nfs/dbraw/zinc/04/93/52/1354049352.db2.gz ZQCKAAMCPILMNY-JSGCOSHPSA-N 1 0 342.403 2.290 10 5 EEBERO Cc1cc(=O)[nH]cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001654417377 1354148058 /nfs/dbraw/zinc/14/80/58/1354148058.db2.gz BDYSCBIIYFVCQG-UHFFFAOYSA-N 1 0 339.311 2.442 10 5 EEBERO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001655965183 1354191991 /nfs/dbraw/zinc/19/19/91/1354191991.db2.gz JOKBZQKLKJCCOM-OAHLLOKOSA-N 1 0 347.394 2.280 10 5 EEBERO O=C(C[NH2+]C1([C@H]2CCCO2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001656524455 1354244909 /nfs/dbraw/zinc/24/49/09/1354244909.db2.gz WWCHIHBJMRURFW-MRXNPFEDSA-N 1 0 345.399 2.175 10 5 EEBERO CC[N@H+](CCNC(=O)CC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663367603 1354954010 /nfs/dbraw/zinc/95/40/10/1354954010.db2.gz IONABTWDSJCBJQ-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CCn1cc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001670046847 1356266753 /nfs/dbraw/zinc/26/67/53/1356266753.db2.gz ODUDUXWPDWDVRC-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO COCC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001675767554 1357047793 /nfs/dbraw/zinc/04/77/93/1357047793.db2.gz TXDBAUCYTIAHBH-SHTZXODSSA-N 1 0 347.415 2.006 10 5 EEBERO C[C@@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001685153573 1358311584 /nfs/dbraw/zinc/31/15/84/1358311584.db2.gz SVRKICMSXYPWAK-MRRJBJDNSA-N 1 0 332.404 2.249 10 5 EEBERO O=C(CCC(=O)N1CCC([NH+]2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000912872359 788436322 /nfs/dbraw/zinc/43/63/22/788436322.db2.gz ZDLIEUAORWMIGL-UHFFFAOYSA-N 1 0 345.399 2.254 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923384929 789469634 /nfs/dbraw/zinc/46/96/34/789469634.db2.gz QBBFBRZSEVRXIB-MSOLQXFVSA-N 1 0 327.384 2.186 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536450 789738039 /nfs/dbraw/zinc/73/80/39/789738039.db2.gz LQRPOONYNQUDDL-DYVFJYSZSA-N 1 0 332.404 2.140 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH+]2CCC2)CC1 ZINC000827911135 800533654 /nfs/dbraw/zinc/53/36/54/800533654.db2.gz HUAQNONXWBTNRC-UHFFFAOYSA-N 1 0 337.807 2.487 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@]4(C3)CCCOC4)n2)c1 ZINC000789540447 808052523 /nfs/dbraw/zinc/05/25/23/808052523.db2.gz JABSODVNXHHBBT-KRWDZBQOSA-N 1 0 343.387 2.313 10 5 EEBERO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001450260231 1105335357 /nfs/dbraw/zinc/33/53/57/1105335357.db2.gz ISSMSSMAZFYCBL-MFKMUULPSA-N 1 0 325.796 2.342 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C(C)(C)OC ZINC001460825366 1110325201 /nfs/dbraw/zinc/32/52/01/1110325201.db2.gz DMRJAHHCHHCEOM-LLVKDONJSA-N 1 0 339.392 2.335 10 5 EEBERO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001471402930 1110522042 /nfs/dbraw/zinc/52/20/42/1110522042.db2.gz GYYSLRPPLNOZOH-UHFFFAOYSA-N 1 0 349.435 2.012 10 5 EEBERO CC1(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001568934953 1124966314 /nfs/dbraw/zinc/96/63/14/1124966314.db2.gz ALRKVFOQPOTQQC-PLNGDYQASA-N 1 0 347.415 2.174 10 5 EEBERO C[C@@]12C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451366083 243092889 /nfs/dbraw/zinc/09/28/89/243092889.db2.gz XSPKZMZFLSNYPV-KERGGTOXSA-N 1 0 344.411 2.479 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc([C@H](C)[NH3+])n1 ZINC000071696933 203103402 /nfs/dbraw/zinc/10/34/02/203103402.db2.gz MFWRXXSGGHCACU-QMMMGPOBSA-N 1 0 336.373 2.261 10 5 EEBERO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000456525050 244280317 /nfs/dbraw/zinc/28/03/17/244280317.db2.gz PZMKXDWOAJGWKB-LLVKDONJSA-N 1 0 341.358 2.358 10 5 EEBERO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000456685735 244328136 /nfs/dbraw/zinc/32/81/36/244328136.db2.gz DJTGWCVKUOYYDB-UHFFFAOYSA-N 1 0 337.424 2.291 10 5 EEBERO O=C(c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000171939033 296182927 /nfs/dbraw/zinc/18/29/27/296182927.db2.gz GOTYQZRROUXHCL-OAHLLOKOSA-N 1 0 344.415 2.115 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245434854 205133010 /nfs/dbraw/zinc/13/30/10/205133010.db2.gz CNFMTSWDUJEBNZ-KBPBESRZSA-N 1 0 334.420 2.256 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000191713748 152268586 /nfs/dbraw/zinc/26/85/86/152268586.db2.gz JLZBDZIKWLZSBT-LRDDRELGSA-N 1 0 345.403 2.232 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000121193018 292261774 /nfs/dbraw/zinc/26/17/74/292261774.db2.gz HSLRNEBUOKGHMM-UHFFFAOYSA-N 1 0 332.360 2.095 10 5 EEBERO CC1(C)CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000261718951 160410410 /nfs/dbraw/zinc/41/04/10/160410410.db2.gz CFXCTRKPUWIDKB-OAHLLOKOSA-N 1 0 332.404 2.369 10 5 EEBERO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1CCOC ZINC000106115832 159312897 /nfs/dbraw/zinc/31/28/97/159312897.db2.gz FBXXVPYTJDHSHP-OAHLLOKOSA-N 1 0 337.420 2.146 10 5 EEBERO CC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000106113223 159312939 /nfs/dbraw/zinc/31/29/39/159312939.db2.gz LNFJMKODVSULPO-ZDUSSCGKSA-N 1 0 325.384 2.277 10 5 EEBERO COc1ccc(OCCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000247233838 160316314 /nfs/dbraw/zinc/31/63/14/160316314.db2.gz DHFMPAHDVDJCMY-KGLIPLIRSA-N 1 0 335.404 2.151 10 5 EEBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247406202 160323842 /nfs/dbraw/zinc/32/38/42/160323842.db2.gz MYIVMQJVZDYPOA-OCCSQVGLSA-N 1 0 335.404 2.406 10 5 EEBERO COc1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000344388927 161222822 /nfs/dbraw/zinc/22/28/22/161222822.db2.gz MNCRVYOEBPSSKX-UHFFFAOYSA-N 1 0 336.388 2.232 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@]2(O)CCOC2)c2ccccc2)c1 ZINC000352907640 162340862 /nfs/dbraw/zinc/34/08/62/162340862.db2.gz HHJITKQJRJBYMN-ZWKOTPCHSA-N 1 0 328.368 2.425 10 5 EEBERO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358993940 164032668 /nfs/dbraw/zinc/03/26/68/164032668.db2.gz VDORNDFCKBGKKU-SNVBAGLBSA-N 1 0 343.330 2.220 10 5 EEBERO CC[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000359050644 164046541 /nfs/dbraw/zinc/04/65/41/164046541.db2.gz DKKNWHXWWCEYCM-UHFFFAOYSA-N 1 0 343.330 2.410 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000360243293 164265701 /nfs/dbraw/zinc/26/57/01/164265701.db2.gz VIQHVOVVZOWFID-UHFFFAOYSA-N 1 0 329.360 2.028 10 5 EEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000365002731 165349338 /nfs/dbraw/zinc/34/93/38/165349338.db2.gz RCCMLAHAOSLDQG-OAHLLOKOSA-N 1 0 331.416 2.470 10 5 EEBERO Nc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000376595768 167357102 /nfs/dbraw/zinc/35/71/02/167357102.db2.gz QSGSYUDGUBPGFM-UHFFFAOYSA-N 1 0 336.367 2.063 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000378224514 167643690 /nfs/dbraw/zinc/64/36/90/167643690.db2.gz KAMXBGMBGHLGQZ-SWLSCSKDSA-N 1 0 333.388 2.208 10 5 EEBERO CCc1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)cc1[N+](=O)[O-] ZINC000293815855 293302236 /nfs/dbraw/zinc/30/22/36/293302236.db2.gz FSBFIECTYFDREC-DLBZAZTESA-N 1 0 347.415 2.092 10 5 EEBERO CCOc1cc(NC(=O)N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414753097 313076284 /nfs/dbraw/zinc/07/62/84/313076284.db2.gz DAJZIKYIUAFYKG-UWVGGRQHSA-N 1 0 340.380 2.249 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000439022373 315064254 /nfs/dbraw/zinc/06/42/54/315064254.db2.gz PIQKMUYARIXGHJ-AWEZNQCLSA-N 1 0 338.408 2.118 10 5 EEBERO CN(CCC(=O)NCCc1ccccc1[N+](=O)[O-])c1cc[nH+]cc1 ZINC000527184004 317162650 /nfs/dbraw/zinc/16/26/50/317162650.db2.gz YREJHHDOIMGBMV-UHFFFAOYSA-N 1 0 328.372 2.175 10 5 EEBERO COc1cccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1[N+](=O)[O-] ZINC000566289385 319269723 /nfs/dbraw/zinc/26/97/23/319269723.db2.gz SUPPWLFVQSGNAU-OAHLLOKOSA-N 1 0 341.367 2.302 10 5 EEBERO Cc1c(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000576849379 320210322 /nfs/dbraw/zinc/21/03/22/320210322.db2.gz ZKTAESUCQNKKRB-QGZVFWFLSA-N 1 0 332.404 2.188 10 5 EEBERO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341238581 465071194 /nfs/dbraw/zinc/07/11/94/465071194.db2.gz AILGSFZBIUGTSD-HNNXBMFYSA-N 1 0 332.404 2.015 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135833460 463200921 /nfs/dbraw/zinc/20/09/21/463200921.db2.gz UHLLMUVQAUTFKP-CYBMUJFWSA-N 1 0 345.403 2.241 10 5 EEBERO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000080410989 463314410 /nfs/dbraw/zinc/31/44/10/463314410.db2.gz GNZIEIJYFNEEHF-UHFFFAOYSA-N 1 0 343.383 2.465 10 5 EEBERO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000194415773 463858585 /nfs/dbraw/zinc/85/85/85/463858585.db2.gz ZZNBVJLOSPZHQD-GFCCVEGCSA-N 1 0 349.412 2.136 10 5 EEBERO COc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000262169710 463964334 /nfs/dbraw/zinc/96/43/34/463964334.db2.gz HQGXUOMWMVEWDA-PZSREKOKSA-N 1 0 349.387 2.074 10 5 EEBERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280757843 464247499 /nfs/dbraw/zinc/24/74/99/464247499.db2.gz LFZQTWWHHJFNSC-FRRDWIJNSA-N 1 0 335.404 2.397 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280901672 464270012 /nfs/dbraw/zinc/27/00/12/464270012.db2.gz DWQRLGKSXJTQLI-NSHDSACASA-N 1 0 331.376 2.255 10 5 EEBERO C[C@@H]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000599935874 468417159 /nfs/dbraw/zinc/41/71/59/468417159.db2.gz ZHMCPHOKMYAHGH-OCCSQVGLSA-N 1 0 332.404 2.409 10 5 EEBERO C[C@H]1CC(O)C[C@H](C)[NH+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191134897 464783247 /nfs/dbraw/zinc/78/32/47/464783247.db2.gz BQGDZSWOAWTXLH-QWRGUYRKSA-N 1 0 339.367 2.296 10 5 EEBERO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183200626 464820626 /nfs/dbraw/zinc/82/06/26/464820626.db2.gz FHDNHSHAYGCBCT-IAQYHMDHSA-N 1 0 337.376 2.089 10 5 EEBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000339600182 465376043 /nfs/dbraw/zinc/37/60/43/465376043.db2.gz WAIOIZCEDYEQCE-XKQJLSEDSA-N 1 0 346.387 2.308 10 5 EEBERO COC(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000597063231 468431821 /nfs/dbraw/zinc/43/18/21/468431821.db2.gz OHRMEEIOOFLBJN-UHFFFAOYSA-N 1 0 338.751 2.021 10 5 EEBERO C[C@H]1[C@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000359566557 465459405 /nfs/dbraw/zinc/45/94/05/465459405.db2.gz SAGFAXYLVIWNAO-UWVGGRQHSA-N 1 0 343.330 2.361 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094934 468441432 /nfs/dbraw/zinc/44/14/32/468441432.db2.gz LBSFZXRCNHPBRY-SECBINFHSA-N 1 0 341.799 2.294 10 5 EEBERO CC(C)C[N@@H+]1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301690092 466011421 /nfs/dbraw/zinc/01/14/21/466011421.db2.gz XDCLEIPPRNAOMM-LBPRGKRZSA-N 1 0 348.403 2.316 10 5 EEBERO CC(C)[C@@H]1CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353670636 466053467 /nfs/dbraw/zinc/05/34/67/466053467.db2.gz MKHLYTTUJJRAPU-LSDHHAIUSA-N 1 0 326.418 2.393 10 5 EEBERO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349799902 466245514 /nfs/dbraw/zinc/24/55/14/466245514.db2.gz JNKFQMVHNCOJEH-INIZCTEOSA-N 1 0 332.404 2.015 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594103007 468485201 /nfs/dbraw/zinc/48/52/01/468485201.db2.gz RXFKOZISEBACKO-BJHJDKERSA-N 1 0 337.395 2.468 10 5 EEBERO C[NH+](C)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347169388 466447966 /nfs/dbraw/zinc/44/79/66/466447966.db2.gz OXVDRKOOTLKZGW-UHFFFAOYSA-N 1 0 331.170 2.040 10 5 EEBERO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227383 468501284 /nfs/dbraw/zinc/50/12/84/468501284.db2.gz AZIDDQCUAYSXQQ-LBPRGKRZSA-N 1 0 335.408 2.017 10 5 EEBERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375151705 466823046 /nfs/dbraw/zinc/82/30/46/466823046.db2.gz JVJLFFSQULPFER-CXAGYDPISA-N 1 0 340.383 2.240 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000373759125 466911930 /nfs/dbraw/zinc/91/19/30/466911930.db2.gz HIMXYZYJSXMCTP-ZFWWWQNUSA-N 1 0 333.388 2.094 10 5 EEBERO CN1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000377675710 467113540 /nfs/dbraw/zinc/11/35/40/467113540.db2.gz UTGNYEBOMHCOAD-ZBFHGGJFSA-N 1 0 349.822 2.480 10 5 EEBERO C[C@]12CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000428721073 467262794 /nfs/dbraw/zinc/26/27/94/467262794.db2.gz SKUANFXGCPKYGJ-YUELXQCFSA-N 1 0 342.342 2.312 10 5 EEBERO O=C(CC[N@H+]1CC[C@H](O)CC12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000420989287 467527119 /nfs/dbraw/zinc/52/71/19/467527119.db2.gz BXWSDKRKXTTZBB-HNNXBMFYSA-N 1 0 333.388 2.303 10 5 EEBERO COc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])cc1F ZINC000450793999 467909213 /nfs/dbraw/zinc/90/92/13/467909213.db2.gz RCTAHYIOEYHKQO-PHIMTYICSA-N 1 0 325.340 2.018 10 5 EEBERO CCc1cc(NCC(C)(C)[NH2+]C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000532853078 468145934 /nfs/dbraw/zinc/14/59/34/468145934.db2.gz CASANXGZYZBAPH-UHFFFAOYSA-N 1 0 329.404 2.446 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCc2ccncc2)c1 ZINC000589511211 468157856 /nfs/dbraw/zinc/15/78/56/468157856.db2.gz BBGDUMGFXHHXQR-UHFFFAOYSA-N 1 0 329.356 2.451 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC000589866093 468191006 /nfs/dbraw/zinc/19/10/06/468191006.db2.gz PSFIRYWMUJBKKO-CVEARBPZSA-N 1 0 328.372 2.052 10 5 EEBERO [NH3+]C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000594451651 468593781 /nfs/dbraw/zinc/59/37/81/468593781.db2.gz QEGCFMKURLORAR-QMMMGPOBSA-N 1 0 345.199 2.233 10 5 EEBERO Cn1ccnc1[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600712384 468628647 /nfs/dbraw/zinc/62/86/47/468628647.db2.gz XKRYLCQLFMRPLV-HOTGVXAUSA-N 1 0 341.415 2.292 10 5 EEBERO C[NH2+]CCOCCN(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000600954164 468695760 /nfs/dbraw/zinc/69/57/60/468695760.db2.gz QMBWZZGDZYZYKF-UHFFFAOYSA-N 1 0 332.198 2.030 10 5 EEBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592526022 468720926 /nfs/dbraw/zinc/72/09/26/468720926.db2.gz FORZVONNGNZOCZ-AWEZNQCLSA-N 1 0 345.321 2.404 10 5 EEBERO C[NH+]1CCC2(CC1)CN(C/C=C\c1ccccc1[N+](=O)[O-])CCO2 ZINC000592527795 468721788 /nfs/dbraw/zinc/72/17/88/468721788.db2.gz QKYDHPBGXFZSHB-XQRVVYSFSA-N 1 0 331.416 2.405 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCO[C@H]1CC1(F)F ZINC000595069689 468751692 /nfs/dbraw/zinc/75/16/92/468751692.db2.gz QOPVAXXGXKUUSZ-MFKMUULPSA-N 1 0 343.330 2.326 10 5 EEBERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601128852 468754218 /nfs/dbraw/zinc/75/42/18/468754218.db2.gz DZXLSNAGONFMHJ-IONNQARKSA-N 1 0 333.314 2.242 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595092716 468757368 /nfs/dbraw/zinc/75/73/68/468757368.db2.gz ZPFUWRPYVUNLBY-UGFHNGPFSA-N 1 0 333.388 2.205 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nccn1C ZINC000595107624 468760087 /nfs/dbraw/zinc/76/00/87/468760087.db2.gz OWRVOCFTBAOCOI-NEPJUHHUSA-N 1 0 331.376 2.396 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000601194240 468778011 /nfs/dbraw/zinc/77/80/11/468778011.db2.gz VYRWYVPLFSOTHH-OAHLLOKOSA-N 1 0 346.362 2.308 10 5 EEBERO CCC1([NH+](C)C)CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000601229364 468789896 /nfs/dbraw/zinc/78/98/96/468789896.db2.gz NPMJLHXLMWHMTF-UHFFFAOYSA-N 1 0 336.392 2.087 10 5 EEBERO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601299220 468817085 /nfs/dbraw/zinc/81/70/85/468817085.db2.gz VNOSIGNMKBKWFT-UHFFFAOYSA-N 1 0 347.462 2.070 10 5 EEBERO COCC[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593101251 468872122 /nfs/dbraw/zinc/87/21/22/468872122.db2.gz ORNYEWYFTBLQSY-UHFFFAOYSA-N 1 0 337.420 2.016 10 5 EEBERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000598535581 468904610 /nfs/dbraw/zinc/90/46/10/468904610.db2.gz GYVCBUNYRROZAO-MRXNPFEDSA-N 1 0 347.415 2.310 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000593460370 468989666 /nfs/dbraw/zinc/98/96/66/468989666.db2.gz AKLPGTNVMCBPOV-ZWKOTPCHSA-N 1 0 342.399 2.178 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595781119 469006685 /nfs/dbraw/zinc/00/66/85/469006685.db2.gz KHEPOYNERRSZAF-TUKIKUTGSA-N 1 0 333.388 2.123 10 5 EEBERO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000601850449 469058064 /nfs/dbraw/zinc/05/80/64/469058064.db2.gz NLRNYSXXVPJVDX-HNNXBMFYSA-N 1 0 340.383 2.303 10 5 EEBERO COc1ccc(CC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601972846 469119610 /nfs/dbraw/zinc/11/96/10/469119610.db2.gz GUSOPDWUFLTMJH-ZDUSSCGKSA-N 1 0 335.404 2.040 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000599111239 469122561 /nfs/dbraw/zinc/12/25/61/469122561.db2.gz MKPJQDREMNVNJO-OAHLLOKOSA-N 1 0 342.399 2.178 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610963791 469125340 /nfs/dbraw/zinc/12/53/40/469125340.db2.gz BOPMZUVZRUOMGT-CQSZACIVSA-N 1 0 332.404 2.363 10 5 EEBERO O=[N+]([O-])c1cccc2ncnc(NC[C@H]3CC[N@@H+]3C3CCCC3)c21 ZINC000599163104 469143737 /nfs/dbraw/zinc/14/37/37/469143737.db2.gz AYCPVIJMNUCTBI-CYBMUJFWSA-N 1 0 327.388 2.967 10 5 EEBERO COc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596124522 469167335 /nfs/dbraw/zinc/16/73/35/469167335.db2.gz XOPJGAQBTJHZLZ-NSHDSACASA-N 1 0 342.827 2.305 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(CN3C[C@@H](CO)[C@H](C(F)(F)F)C3)nc2c1 ZINC000602988473 469209136 /nfs/dbraw/zinc/20/91/36/469209136.db2.gz LCSBILDLYVDDRS-WCBMZHEXSA-N 1 0 344.293 2.074 10 5 EEBERO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccs1 ZINC000611525111 469272423 /nfs/dbraw/zinc/27/24/23/469272423.db2.gz IYVNUSFLJBTOIW-CYBMUJFWSA-N 1 0 336.417 2.446 10 5 EEBERO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599544323 469287752 /nfs/dbraw/zinc/28/77/52/469287752.db2.gz CSDHKIOIVLMBNR-OAHLLOKOSA-N 1 0 338.379 2.487 10 5 EEBERO CC(=O)c1cc(N2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596566406 469302482 /nfs/dbraw/zinc/30/24/82/469302482.db2.gz LASKYSQDGPPREN-OAHLLOKOSA-N 1 0 335.404 2.344 10 5 EEBERO CC(C)[C@H]([NH3+])CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596651245 469322214 /nfs/dbraw/zinc/32/22/14/469322214.db2.gz CZEOMCXMECRMGK-HZPDHXFCSA-N 1 0 331.420 2.381 10 5 EEBERO C[C@@H](O)C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000618344294 469968854 /nfs/dbraw/zinc/96/88/54/469968854.db2.gz GPIRCYSGKBFTCV-QWHCGFSZSA-N 1 0 330.388 2.034 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152724687 528606995 /nfs/dbraw/zinc/60/69/95/528606995.db2.gz WTSZUAPFRDESHG-KGLIPLIRSA-N 1 0 337.420 2.365 10 5 EEBERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000741118843 578113040 /nfs/dbraw/zinc/11/30/40/578113040.db2.gz NUYMSDMPPBQYKP-HNNXBMFYSA-N 1 0 336.388 2.037 10 5 EEBERO O=C(N[C@@H]1CCCN(CCF)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000898485918 693332430 /nfs/dbraw/zinc/33/24/30/693332430.db2.gz OIRAOPGOTJIHHA-LLVKDONJSA-N 1 0 329.759 2.412 10 5 EEBERO Cc1ccc(CCC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001485682987 1191896298 /nfs/dbraw/zinc/89/62/98/1191896298.db2.gz CHFGZOOXVFSQNV-BRSBDYLESA-N 1 0 345.443 2.077 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccco1 ZINC001266629562 1177024995 /nfs/dbraw/zinc/02/49/95/1177024995.db2.gz JNSCXHYFTFOXAC-BQYQJAHWSA-N 1 0 329.356 2.449 10 5 EEBERO O=C(Cc1ccoc1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691436655 1178520855 /nfs/dbraw/zinc/52/08/55/1178520855.db2.gz DYYXXPJKENQANM-IYBDPMFKSA-N 1 0 343.383 2.415 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC001483077551 1188435427 /nfs/dbraw/zinc/43/54/27/1188435427.db2.gz KVGLKLYMCWQTMF-OWOJBTEDSA-N 1 0 332.385 2.127 10 5 EEBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001484136203 1191227915 /nfs/dbraw/zinc/22/79/15/1191227915.db2.gz XZLNNGFDQZCITR-HZPDHXFCSA-N 1 0 349.406 2.209 10 5 EEBERO COCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001484385586 1191326255 /nfs/dbraw/zinc/32/62/55/1191326255.db2.gz LPLOAMSUFSTVGC-MUJYYYPQSA-N 1 0 347.415 2.100 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1ccccn1 ZINC001484621934 1191445070 /nfs/dbraw/zinc/44/50/70/1191445070.db2.gz JSARUNOHXDQPKY-UHFFFAOYSA-N 1 0 340.383 2.432 10 5 EEBERO CN1Cc2ccccc2[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872235813 1198103989 /nfs/dbraw/zinc/10/39/89/1198103989.db2.gz KHKCPTPJDPNKMZ-ROUUACIJSA-N 1 0 327.384 2.405 10 5 EEBERO COc1ccc(C[NH2+]Cc2cnc3c(cnn3C)c2)cc1[N+](=O)[O-] ZINC000865434608 1198216241 /nfs/dbraw/zinc/21/62/41/1198216241.db2.gz MYOMNQWLNNSMIA-UHFFFAOYSA-N 1 0 327.344 2.175 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000865923708 1198425603 /nfs/dbraw/zinc/42/56/03/1198425603.db2.gz AFXRIHHQFZHDJV-HNNXBMFYSA-N 1 0 336.417 2.097 10 5 EEBERO COc1cc(CON=C(N)C[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000809996263 1199189982 /nfs/dbraw/zinc/18/99/82/1199189982.db2.gz VSTVPALPSFMZFE-GFCCVEGCSA-N 1 0 336.392 2.476 10 5 EEBERO CCOc1cc(OS(=O)(=O)CC[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000810072500 1199237356 /nfs/dbraw/zinc/23/73/56/1199237356.db2.gz HPVBRBOWIKBBKU-UHFFFAOYSA-N 1 0 346.405 2.044 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000866382166 1201504107 /nfs/dbraw/zinc/50/41/07/1201504107.db2.gz USVKUTPIMWYWOQ-YVEFUNNKSA-N 1 0 340.395 2.432 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCCCO)CC2)c(F)c1 ZINC000931498043 1207398106 /nfs/dbraw/zinc/39/81/06/1207398106.db2.gz VFPMLYQNZYXRCN-UHFFFAOYSA-N 1 0 325.384 2.014 10 5 EEBERO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903272984 1240152162 /nfs/dbraw/zinc/15/21/62/1240152162.db2.gz SFPFCQHEJWCKMD-HZUKXOBISA-N 1 0 336.461 2.407 10 5 EEBERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000850125620 1277045878 /nfs/dbraw/zinc/04/58/78/1277045878.db2.gz ITKMXVYZSZKTDV-CYBMUJFWSA-N 1 0 344.293 2.170 10 5 EEBERO C/C=C(/C)C(=O)N1CCC(CC)([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001273750620 1284760853 /nfs/dbraw/zinc/76/08/53/1284760853.db2.gz VLWDBRUBPYSJQR-ACAGNQJTSA-N 1 0 349.435 2.155 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000853990886 1292573410 /nfs/dbraw/zinc/57/34/10/1292573410.db2.gz XGUPSASYXGTGRF-LBPRGKRZSA-N 1 0 341.383 2.290 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000856427844 1293523977 /nfs/dbraw/zinc/52/39/77/1293523977.db2.gz HHCZJZBMHKZBMU-CGQZWFTASA-N 1 0 347.415 2.177 10 5 EEBERO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764777 1293910721 /nfs/dbraw/zinc/91/07/21/1293910721.db2.gz AHOYADKIFGYXOF-MNOVXSKESA-N 1 0 343.330 2.152 10 5 EEBERO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859590457 1294533283 /nfs/dbraw/zinc/53/32/83/1294533283.db2.gz HZIJKJDJHCXEOF-UHFFFAOYSA-N 1 0 345.399 2.446 10 5 EEBERO Cn1nccc1[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000927126069 1297026831 /nfs/dbraw/zinc/02/68/31/1297026831.db2.gz DBWMRUCJWWEDIE-ZBFHGGJFSA-N 1 0 330.388 2.374 10 5 EEBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000927149559 1297037421 /nfs/dbraw/zinc/03/74/21/1297037421.db2.gz HIUDEAGNFVXCDL-JSGCOSHPSA-N 1 0 329.404 2.192 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000799326094 1305225949 /nfs/dbraw/zinc/22/59/49/1305225949.db2.gz ZNGUSADCHRERCG-UHFFFAOYSA-N 1 0 340.399 2.180 10 5 EEBERO Nc1ccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000842514417 1315718668 /nfs/dbraw/zinc/71/86/68/1315718668.db2.gz KZOVZOCEHLOVNB-UHFFFAOYSA-N 1 0 344.415 2.060 10 5 EEBERO CC(C)CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001278693002 1317756627 /nfs/dbraw/zinc/75/66/27/1317756627.db2.gz DDHFFULEODQSBL-UHFFFAOYSA-N 1 0 349.431 2.396 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC001156835626 1318235319 /nfs/dbraw/zinc/23/53/19/1318235319.db2.gz ABRBEFJCSUVOQE-CQSZACIVSA-N 1 0 335.404 2.454 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC([NH2+]C2CCOCC2)C1 ZINC001164131278 1321299158 /nfs/dbraw/zinc/29/91/58/1321299158.db2.gz OGIHNVJOSPMVSA-UHFFFAOYSA-N 1 0 328.372 2.100 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CC[C@@H]4C[N@H+](C)C[C@H]34)c2c1 ZINC001164380666 1321367461 /nfs/dbraw/zinc/36/74/61/1321367461.db2.gz YQIWJVJMARVAGG-DIOULYMOSA-N 1 0 342.399 2.326 10 5 EEBERO CC(C)CC[NH+]1CCC(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001294302110 1328967028 /nfs/dbraw/zinc/96/70/28/1328967028.db2.gz ONOXXKSCHBDQQN-UHFFFAOYSA-N 1 0 349.435 2.060 10 5 EEBERO C[C@]([NH3+])(C(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001261874188 1322191929 /nfs/dbraw/zinc/19/19/29/1322191929.db2.gz USHDLZFFWATKCX-CQROYNQRSA-N 1 0 339.342 2.319 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001263996143 1322580485 /nfs/dbraw/zinc/58/04/85/1322580485.db2.gz UQLMXADBVYVGES-MKPLZMMCSA-N 1 0 341.770 2.457 10 5 EEBERO CCOCCC(=O)NCC1=CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001279512157 1323920956 /nfs/dbraw/zinc/92/09/56/1323920956.db2.gz YGFWSVVRLOSIJK-UHFFFAOYSA-N 1 0 347.415 2.270 10 5 EEBERO CCC(=O)N1CCC(OCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001282573765 1325743551 /nfs/dbraw/zinc/74/35/51/1325743551.db2.gz UFZOZWMEGSDIEN-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327448507 1334294596 /nfs/dbraw/zinc/29/45/96/1334294596.db2.gz CGOPWCIJFPQDFU-HUUCEWRRSA-N 1 0 325.453 2.449 10 5 EEBERO C[C@@H]1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H](C)O1 ZINC001330062315 1334771720 /nfs/dbraw/zinc/77/17/20/1334771720.db2.gz WDSINYALIHFAGE-KGLIPLIRSA-N 1 0 348.403 2.294 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001612545310 1352309292 /nfs/dbraw/zinc/30/92/92/1352309292.db2.gz LOOVYEDBIYDXFG-KLPPZKSPSA-N 1 0 345.359 2.225 10 5 EEBERO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCn2c(C)ncc2[N+](=O)[O-])no1 ZINC001560095231 1342507692 /nfs/dbraw/zinc/50/76/92/1342507692.db2.gz FRMSXTWSFZLLAF-AGUYFDCRSA-N 1 0 346.391 2.202 10 5 EEBERO CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001583349722 1344892208 /nfs/dbraw/zinc/89/22/08/1344892208.db2.gz WEQKTKZCAKCREF-ZDUSSCGKSA-N 1 0 327.812 2.493 10 5 EEBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2C[NH+]3CCC2CC3)c1F ZINC001603076750 1350634175 /nfs/dbraw/zinc/63/41/75/1350634175.db2.gz QXJIESWFSDSFGF-NSHDSACASA-N 1 0 339.342 2.253 10 5 EEBERO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001623983188 1352410708 /nfs/dbraw/zinc/41/07/08/1352410708.db2.gz VBCXKNJLKRIFEV-UHFFFAOYSA-N 1 0 340.399 2.262 10 5 EEBERO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001629483566 1352553630 /nfs/dbraw/zinc/55/36/30/1352553630.db2.gz QHBLKWYOMBBGQY-JTQLQIEISA-N 1 0 341.799 2.062 10 5 EEBERO Nc1ncc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001650684270 1354026479 /nfs/dbraw/zinc/02/64/79/1354026479.db2.gz RSKNIRNRANPBPE-UHFFFAOYSA-N 1 0 341.371 2.420 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2nncn2C)CC1 ZINC001655642397 1354180656 /nfs/dbraw/zinc/18/06/56/1354180656.db2.gz IFBSJLIEMBYKIY-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001658612591 1354363488 /nfs/dbraw/zinc/36/34/88/1354363488.db2.gz OQNBVWDDZPPATD-UHFFFAOYSA-N 1 0 333.348 2.182 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001663439873 1354962954 /nfs/dbraw/zinc/96/29/54/1354962954.db2.gz WXCYGABQDSFBGN-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO COc1ccc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001670291515 1356312652 /nfs/dbraw/zinc/31/26/52/1356312652.db2.gz OTUSBBRQCZFUQZ-UHFFFAOYSA-N 1 0 347.371 2.448 10 5 EEBERO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCS(=O)CC1 ZINC001167685070 761300400 /nfs/dbraw/zinc/30/04/00/761300400.db2.gz IAFDKUOYDAKKGA-UHFFFAOYSA-N 1 0 326.418 2.207 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000819188489 785454165 /nfs/dbraw/zinc/45/41/65/785454165.db2.gz HWERDIIHQPGCAL-MRXNPFEDSA-N 1 0 328.372 2.128 10 5 EEBERO C[N@@H+]1C[C@@H]2CCCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[C@@H]2C1 ZINC000819953147 785739527 /nfs/dbraw/zinc/73/95/27/785739527.db2.gz KMXZRNYIWWZSBQ-BLLLJJGKSA-N 1 0 330.388 2.010 10 5 EEBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000912598295 788254884 /nfs/dbraw/zinc/25/48/84/788254884.db2.gz FJTNZWKVPGRZSP-UONOGXRCSA-N 1 0 335.379 2.265 10 5 EEBERO CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])n1ccnc1 ZINC000912617445 788257647 /nfs/dbraw/zinc/25/76/47/788257647.db2.gz TXXUTIPTQUTWAF-UHFFFAOYSA-N 1 0 332.360 2.112 10 5 EEBERO O=C(N1CCC([NH+]2CCC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000912875921 788438768 /nfs/dbraw/zinc/43/87/68/788438768.db2.gz TZKCLGJTIGPKDJ-UHFFFAOYSA-N 1 0 339.342 2.383 10 5 EEBERO CC(C)c1ccc(C[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000922995351 788520730 /nfs/dbraw/zinc/52/07/30/788520730.db2.gz BQNCNGDRJNCVNE-CYBMUJFWSA-N 1 0 329.404 2.494 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913278447 788738628 /nfs/dbraw/zinc/73/86/28/788738628.db2.gz GSQYXKYIUPACFZ-IAGOWNOFSA-N 1 0 333.388 2.017 10 5 EEBERO CC1([NH+]2CCC2)CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000922175668 799656352 /nfs/dbraw/zinc/65/63/52/799656352.db2.gz BKAVABIIVBAFFX-UHFFFAOYSA-N 1 0 347.371 2.024 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001181841796 800929803 /nfs/dbraw/zinc/92/98/03/800929803.db2.gz YDEVYRLLSMOXNQ-GFCCVEGCSA-N 1 0 325.796 2.343 10 5 EEBERO Cc1[nH]nc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC001566439992 1125601843 /nfs/dbraw/zinc/60/18/43/1125601843.db2.gz AGJCJSDWXIKTFR-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO O=C(CC1CCOCC1)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497550636 1102653605 /nfs/dbraw/zinc/65/36/05/1102653605.db2.gz MEMUIVFGYVXIBP-ONEGZZNKSA-N 1 0 347.415 2.174 10 5 EEBERO O=C(CC1CCOCC1)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497550635 1102653826 /nfs/dbraw/zinc/65/38/26/1102653826.db2.gz MEMUIVFGYVXIBP-ARJAWSKDSA-N 1 0 347.415 2.174 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC001497566202 1102678032 /nfs/dbraw/zinc/67/80/32/1102678032.db2.gz IAGUPQDPHPYZJZ-UPHRSURJSA-N 1 0 344.346 2.205 10 5 EEBERO CC(C)C[C@H](CO)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001459980929 1110252207 /nfs/dbraw/zinc/25/22/07/1110252207.db2.gz XCVFPBRMQBOVDG-GFCCVEGCSA-N 1 0 334.376 2.484 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(F)cc1 ZINC001464324857 1110391754 /nfs/dbraw/zinc/39/17/54/1110391754.db2.gz BOBGYZMGBLBXBO-MRXNPFEDSA-N 1 0 346.362 2.349 10 5 EEBERO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001466792675 1110443845 /nfs/dbraw/zinc/44/38/45/1110443845.db2.gz GOISNSPAGINCHE-GFCCVEGCSA-N 1 0 325.796 2.201 10 5 EEBERO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001466903486 1110446233 /nfs/dbraw/zinc/44/62/33/1110446233.db2.gz PVKWTWFAFXUSKI-SUMWQHHRSA-N 1 0 345.399 2.201 10 5 EEBERO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC001473775506 1110580064 /nfs/dbraw/zinc/58/00/64/1110580064.db2.gz SOSDDAHVQVPOGT-CYBMUJFWSA-N 1 0 346.412 2.448 10 5 EEBERO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001538545720 1124029199 /nfs/dbraw/zinc/02/91/99/1124029199.db2.gz DFYLLZIGWZUMBX-HNNXBMFYSA-N 1 0 335.404 2.162 10 5 EEBERO CCC(CC)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001568126077 1124316897 /nfs/dbraw/zinc/31/68/97/1124316897.db2.gz OXYJMHAIFNLHSX-HZPDHXFCSA-N 1 0 325.453 2.306 10 5 EEBERO CCc1oncc1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568926429 1124954909 /nfs/dbraw/zinc/95/49/09/1124954909.db2.gz BWNPELFJIUTWSN-WAYWQWQTSA-N 1 0 344.371 2.221 10 5 EEBERO Cc1noc(C)c1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001569180451 1125149627 /nfs/dbraw/zinc/14/96/27/1125149627.db2.gz BNUWQZFAMOPVQU-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO CC[C@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000181532659 529587778 /nfs/dbraw/zinc/58/77/78/529587778.db2.gz GJKZGNCAKVEAHM-INIZCTEOSA-N 1 0 328.372 2.347 10 5 EEBERO O=C(Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000037042086 213131790 /nfs/dbraw/zinc/13/17/90/213131790.db2.gz SZGQMXCPUURYDR-QMMMGPOBSA-N 1 0 328.166 2.295 10 5 EEBERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC12COC2 ZINC000451131895 243010892 /nfs/dbraw/zinc/01/08/92/243010892.db2.gz HSPXDFVUVLBQFR-BBRMVZONSA-N 1 0 348.399 2.476 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451907361 243305839 /nfs/dbraw/zinc/30/58/39/243305839.db2.gz UVGPGDFNTHOQFQ-KRWDZBQOSA-N 1 0 333.388 2.426 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000054463200 292139784 /nfs/dbraw/zinc/13/97/84/292139784.db2.gz GSYLQEPFWSVXPU-MRXNPFEDSA-N 1 0 346.362 2.470 10 5 EEBERO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354932 160394706 /nfs/dbraw/zinc/39/47/06/160394706.db2.gz QYPWDFFRHUAGKW-SWLSCSKDSA-N 1 0 334.376 2.419 10 5 EEBERO COc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000129805535 292363466 /nfs/dbraw/zinc/36/34/66/292363466.db2.gz DVFBAVJXKSIKTI-UHFFFAOYSA-N 1 0 335.404 2.454 10 5 EEBERO COc1ccc2c(c1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090539615 159197458 /nfs/dbraw/zinc/19/74/58/159197458.db2.gz MWIOCCKONHDTLK-OAHLLOKOSA-N 1 0 332.360 2.303 10 5 EEBERO Cc1csc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000090523653 159197888 /nfs/dbraw/zinc/19/78/88/159197888.db2.gz JUGMTCXCRCXCOC-CYBMUJFWSA-N 1 0 348.428 2.401 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245661653 160247041 /nfs/dbraw/zinc/24/70/41/160247041.db2.gz PWFLPVINDPAUDQ-DOMZBBRYSA-N 1 0 342.399 2.314 10 5 EEBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246761572 160293005 /nfs/dbraw/zinc/29/30/05/160293005.db2.gz YFBJILHNEXVLDH-DOMZBBRYSA-N 1 0 343.387 2.486 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247055382 160307670 /nfs/dbraw/zinc/30/76/70/160307670.db2.gz WSPWIFPSJFGSOV-ZFWWWQNUSA-N 1 0 333.388 2.059 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248201701 160340513 /nfs/dbraw/zinc/34/05/13/160340513.db2.gz YXPPSQGQKMMAOD-XJKSGUPXSA-N 1 0 346.431 2.217 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488065229 273718772 /nfs/dbraw/zinc/71/87/72/273718772.db2.gz NLEJGACLMFVXLW-ZDUSSCGKSA-N 1 0 330.388 2.036 10 5 EEBERO Cn1ccnc1[C@H](NCCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272558440 274175905 /nfs/dbraw/zinc/17/59/05/274175905.db2.gz SSXHEJFUYFLLOP-MRXNPFEDSA-N 1 0 331.420 2.349 10 5 EEBERO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000261567173 274563938 /nfs/dbraw/zinc/56/39/38/274563938.db2.gz HQRYANLUJJWUTC-IUCAKERBSA-N 1 0 329.198 2.316 10 5 EEBERO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000377675569 277171365 /nfs/dbraw/zinc/17/13/65/277171365.db2.gz KRZIPKLWWJKZBJ-HOTGVXAUSA-N 1 0 349.822 2.480 10 5 EEBERO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000415706371 313169736 /nfs/dbraw/zinc/16/97/36/313169736.db2.gz UVJIGMBBWGUBED-UHFFFAOYSA-N 1 0 343.181 2.311 10 5 EEBERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421390518 314095314 /nfs/dbraw/zinc/09/53/14/314095314.db2.gz SMZNGVZKMKORFN-CYBMUJFWSA-N 1 0 329.356 2.423 10 5 EEBERO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000542920111 318147748 /nfs/dbraw/zinc/14/77/48/318147748.db2.gz FZSSUMZOGNBOAE-JTQLQIEISA-N 1 0 343.330 2.410 10 5 EEBERO O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000576213451 320151337 /nfs/dbraw/zinc/15/13/37/320151337.db2.gz YUKDWPKMVVGIMX-ZDUSSCGKSA-N 1 0 341.209 2.332 10 5 EEBERO COc1ccc(OCCN2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000576943671 320218266 /nfs/dbraw/zinc/21/82/66/320218266.db2.gz QLBAXULRUDYSTD-KRWDZBQOSA-N 1 0 335.404 2.058 10 5 EEBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000578360362 320310172 /nfs/dbraw/zinc/31/01/72/320310172.db2.gz GLJIQGYWRPJEER-MAZHCROVSA-N 1 0 333.388 2.011 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341222226 465064609 /nfs/dbraw/zinc/06/46/09/465064609.db2.gz RPZFRZBZEMUUAB-BETUJISGSA-N 1 0 341.433 2.136 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113269554 462583614 /nfs/dbraw/zinc/58/36/14/462583614.db2.gz NVNXHVOZHUHUJR-HOCLYGCPSA-N 1 0 346.431 2.400 10 5 EEBERO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000114003033 462620563 /nfs/dbraw/zinc/62/05/63/462620563.db2.gz IGJSAZYYQPMFJH-UHFFFAOYSA-N 1 0 348.447 2.128 10 5 EEBERO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000066562322 462905078 /nfs/dbraw/zinc/90/50/78/462905078.db2.gz RDCXFTFPRMULOA-CQSZACIVSA-N 1 0 347.415 2.227 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069529153 463268768 /nfs/dbraw/zinc/26/87/68/463268768.db2.gz MZVLKCNDQJBSJJ-LBPRGKRZSA-N 1 0 341.795 2.089 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000137047849 463275478 /nfs/dbraw/zinc/27/54/78/463275478.db2.gz GNCMUROGRAQBAG-QGZVFWFLSA-N 1 0 330.388 2.237 10 5 EEBERO Cc1cccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000123957303 463381355 /nfs/dbraw/zinc/38/13/55/463381355.db2.gz DXQCKLAOFWRAAG-UHFFFAOYSA-N 1 0 333.388 2.025 10 5 EEBERO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802809 463466836 /nfs/dbraw/zinc/46/68/36/463466836.db2.gz KJKBAKPOEKGZMY-INIZCTEOSA-N 1 0 327.388 2.486 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000041488194 463491226 /nfs/dbraw/zinc/49/12/26/463491226.db2.gz OPCYEGYRPFOCCK-CYBMUJFWSA-N 1 0 337.424 2.036 10 5 EEBERO CC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000172761593 464138944 /nfs/dbraw/zinc/13/89/44/464138944.db2.gz ALHAAZCIXBJKJC-GFCCVEGCSA-N 1 0 345.346 2.089 10 5 EEBERO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295105813 464708368 /nfs/dbraw/zinc/70/83/68/464708368.db2.gz XTRDIDLBMLJBSA-MNOVXSKESA-N 1 0 339.367 2.297 10 5 EEBERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182929964 464760406 /nfs/dbraw/zinc/76/04/06/464760406.db2.gz DOLUZYIRXUHGBO-WFASDCNBSA-N 1 0 329.356 2.245 10 5 EEBERO CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347943961 465325673 /nfs/dbraw/zinc/32/56/73/465325673.db2.gz IWZFQEQNHCQXSW-OAHLLOKOSA-N 1 0 328.372 2.242 10 5 EEBERO C[NH2+]Cc1ccccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000593914412 468431851 /nfs/dbraw/zinc/43/18/51/468431851.db2.gz KHZOGOUBQBUKSF-UHFFFAOYSA-N 1 0 343.383 2.400 10 5 EEBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000348528598 465658323 /nfs/dbraw/zinc/65/83/23/465658323.db2.gz BICATBRJSAYFQT-FHSNZYRGSA-N 1 0 343.383 2.299 10 5 EEBERO NC(=O)c1ccc(C[NH+]2CCC(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000371324256 465714021 /nfs/dbraw/zinc/71/40/21/465714021.db2.gz VSDXOMPPKJRHSG-UHFFFAOYSA-N 1 0 340.383 2.468 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330871972 465839029 /nfs/dbraw/zinc/83/90/29/465839029.db2.gz GPNNOMWWQHWKSH-UONOGXRCSA-N 1 0 334.420 2.256 10 5 EEBERO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340295370 465962269 /nfs/dbraw/zinc/96/22/69/465962269.db2.gz MCDHHXBTTHOOSK-MRXNPFEDSA-N 1 0 332.404 2.015 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)ccc1[N+](=O)[O-] ZINC000338376949 466073171 /nfs/dbraw/zinc/07/31/71/466073171.db2.gz SGVLECWLANBKDW-ZDUSSCGKSA-N 1 0 343.387 2.355 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594045671 468471299 /nfs/dbraw/zinc/47/12/99/468471299.db2.gz XOFSMEUJIRZLAT-HZPDHXFCSA-N 1 0 335.404 2.495 10 5 EEBERO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338873925 466447466 /nfs/dbraw/zinc/44/74/66/466447466.db2.gz XZMZLZWMDYJPBA-NWDGAFQWSA-N 1 0 328.372 2.433 10 5 EEBERO CCn1nc2c(cc1=O)CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000363512586 466450582 /nfs/dbraw/zinc/45/05/82/466450582.db2.gz XEORKHBVKUQQIJ-UHFFFAOYSA-N 1 0 348.790 2.383 10 5 EEBERO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000372804202 466595169 /nfs/dbraw/zinc/59/51/69/466595169.db2.gz FEWIRSGPFVZHSI-HUUCEWRRSA-N 1 0 347.415 2.484 10 5 EEBERO COc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])cc1F ZINC000373675893 466885282 /nfs/dbraw/zinc/88/52/82/466885282.db2.gz UAWAKOWKTHVYPK-WDEREUQCSA-N 1 0 325.340 2.018 10 5 EEBERO O=C(CC[N@@H+]1CCO[C@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000411857990 466918726 /nfs/dbraw/zinc/91/87/26/466918726.db2.gz XIKHKIAKPSHYRC-INIZCTEOSA-N 1 0 333.388 2.424 10 5 EEBERO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371017606 467072928 /nfs/dbraw/zinc/07/29/28/467072928.db2.gz KGQNCHLMXCEKKD-SMDDNHRTSA-N 1 0 343.387 2.075 10 5 EEBERO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000377675573 467112476 /nfs/dbraw/zinc/11/24/76/467112476.db2.gz KRZIPKLWWJKZBJ-HZPDHXFCSA-N 1 0 349.822 2.480 10 5 EEBERO COC(=O)c1cc(C)nc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000450958783 467216412 /nfs/dbraw/zinc/21/64/12/467216412.db2.gz WXWYSHULTVZUQJ-LBPRGKRZSA-N 1 0 336.392 2.004 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408153698 467519465 /nfs/dbraw/zinc/51/94/65/467519465.db2.gz LHNLBKJOSDVFLX-DGCLKSJQSA-N 1 0 328.372 2.385 10 5 EEBERO CCOC(=O)[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC12COC2 ZINC000449359179 467633110 /nfs/dbraw/zinc/63/31/10/467633110.db2.gz GKSUXWSXOZBPSS-KEDPEKRHSA-N 1 0 346.383 2.120 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000450345940 467831393 /nfs/dbraw/zinc/83/13/93/467831393.db2.gz GPLJVSNDLOCBRO-RDJZCZTQSA-N 1 0 342.399 2.285 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000589497578 468156811 /nfs/dbraw/zinc/15/68/11/468156811.db2.gz NRCKLOYZDGDSMX-UHFFFAOYSA-N 1 0 344.371 2.484 10 5 EEBERO CNc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591892004 468551946 /nfs/dbraw/zinc/55/19/46/468551946.db2.gz OTZHPXGCCKFNPG-KBPBESRZSA-N 1 0 332.404 2.241 10 5 EEBERO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858175 468695393 /nfs/dbraw/zinc/69/53/93/468695393.db2.gz LJTMGTWWHSVXGH-ZDUSSCGKSA-N 1 0 335.404 2.135 10 5 EEBERO CS(=O)(=O)CC1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000594953325 468729830 /nfs/dbraw/zinc/72/98/30/468729830.db2.gz RSWBAJVNMRQILM-XQRVVYSFSA-N 1 0 338.429 2.413 10 5 EEBERO C[NH+](C)CCCOc1cnccc1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601166218 468767971 /nfs/dbraw/zinc/76/79/71/468767971.db2.gz LTIPYVCALCDSFC-UHFFFAOYSA-N 1 0 349.366 2.467 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000598155911 468779793 /nfs/dbraw/zinc/77/97/93/468779793.db2.gz BPNAZQVQXBOLTP-UHFFFAOYSA-N 1 0 343.836 2.360 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000595227282 468788606 /nfs/dbraw/zinc/78/86/06/468788606.db2.gz CMWQNXCSPVMABW-UHFFFAOYSA-N 1 0 342.302 2.070 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000593024693 468843645 /nfs/dbraw/zinc/84/36/45/468843645.db2.gz KLCKQZHHUDNDGE-MQIPJXDCSA-N 1 0 336.388 2.363 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CC2CCC2)[C@H](C)CO)c1 ZINC000593029243 468844129 /nfs/dbraw/zinc/84/41/29/468844129.db2.gz OTUWZUPHAQYANU-GFCCVEGCSA-N 1 0 336.388 2.364 10 5 EEBERO O=C(CC[NH+]1CCC(C2(O)CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593052180 468852225 /nfs/dbraw/zinc/85/22/25/468852225.db2.gz WVLDOMBBZPLGMX-UHFFFAOYSA-N 1 0 333.388 2.160 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593114613 468875975 /nfs/dbraw/zinc/87/59/75/468875975.db2.gz DQDKOAFXYNJUOX-JSGCOSHPSA-N 1 0 328.315 2.066 10 5 EEBERO Cc1cccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598541139 468907141 /nfs/dbraw/zinc/90/71/41/468907141.db2.gz SRJZPMVIHNSTGN-CQSZACIVSA-N 1 0 335.404 2.086 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000610478089 468978174 /nfs/dbraw/zinc/97/81/74/468978174.db2.gz KEIFSLIEVVYLKJ-UHFFFAOYSA-N 1 0 346.391 2.017 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3COC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595834981 469034097 /nfs/dbraw/zinc/03/40/97/469034097.db2.gz UBCHMLYQNDYVPY-UONOGXRCSA-N 1 0 333.388 2.200 10 5 EEBERO CC(C)NC(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595851468 469045628 /nfs/dbraw/zinc/04/56/28/469045628.db2.gz UAZPGTWPCUJKAJ-AWEZNQCLSA-N 1 0 335.404 2.210 10 5 EEBERO COc1cc(CN2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000595905319 469075250 /nfs/dbraw/zinc/07/52/50/469075250.db2.gz BOSVNBUWCFEATN-HNNXBMFYSA-N 1 0 337.420 2.146 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000595905664 469075779 /nfs/dbraw/zinc/07/57/79/469075779.db2.gz FOBVYUIFWMPQGJ-ZDUSSCGKSA-N 1 0 343.374 2.416 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000599053660 469101925 /nfs/dbraw/zinc/10/19/25/469101925.db2.gz FYQCPVACMHGTOR-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000588887048 469175277 /nfs/dbraw/zinc/17/52/77/469175277.db2.gz LCKQRXMYSPDFRD-CYBMUJFWSA-N 1 0 345.403 2.012 10 5 EEBERO Cn1nnnc1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000611314663 469226564 /nfs/dbraw/zinc/22/65/64/469226564.db2.gz ZMWTXAIAEFRDRM-UHFFFAOYSA-N 1 0 344.400 2.179 10 5 EEBERO CCOc1cccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596539352 469296499 /nfs/dbraw/zinc/29/64/99/469296499.db2.gz OZPCLTPYPZVHFR-AWEZNQCLSA-N 1 0 335.404 2.029 10 5 EEBERO C[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000612469345 469475408 /nfs/dbraw/zinc/47/54/08/469475408.db2.gz RUFQXTQECXAVJQ-LLVKDONJSA-N 1 0 349.366 2.234 10 5 EEBERO C[NH+]1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000217658330 485530736 /nfs/dbraw/zinc/53/07/36/485530736.db2.gz MWRUKLHZJNHQBT-UHFFFAOYSA-N 1 0 338.839 2.464 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000174255420 533890648 /nfs/dbraw/zinc/89/06/48/533890648.db2.gz YHFXIGPFELSZAC-CZUORRHYSA-N 1 0 334.420 2.261 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451588130 536464472 /nfs/dbraw/zinc/46/44/72/536464472.db2.gz OOEPQRYOELLEEV-CABCVRRESA-N 1 0 349.387 2.245 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C(C2CCCC2)C2CCCC2)c1 ZINC000775618089 577441088 /nfs/dbraw/zinc/44/10/88/577441088.db2.gz WAVDWUJTKROCNO-INIZCTEOSA-N 1 0 336.436 2.491 10 5 EEBERO Cc1nn(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292175 577681275 /nfs/dbraw/zinc/68/12/75/577681275.db2.gz PHAQVLHDAXZZMY-OAHLLOKOSA-N 1 0 329.404 2.379 10 5 EEBERO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000895120849 683977618 /nfs/dbraw/zinc/97/76/18/683977618.db2.gz SUXVBVRMBVNVFQ-GFCCVEGCSA-N 1 0 346.387 2.284 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000896110201 684844850 /nfs/dbraw/zinc/84/48/50/684844850.db2.gz NJCJACSBAMCIBG-ZDUSSCGKSA-N 1 0 342.399 2.496 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@]2(C)C1 ZINC000896914699 685833418 /nfs/dbraw/zinc/83/34/18/685833418.db2.gz PGNJDRLTBGBPNT-RNCFNFMXSA-N 1 0 341.209 2.140 10 5 EEBERO Cc1ccn(C)c1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001670772544 1181173173 /nfs/dbraw/zinc/17/31/73/1181173173.db2.gz XXPKDCPLBUJSPW-UHFFFAOYSA-N 1 0 342.399 2.294 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(CCF)CC1 ZINC001269460792 1184282126 /nfs/dbraw/zinc/28/21/26/1184282126.db2.gz XSIWMMREAWIFGG-UHFFFAOYSA-N 1 0 335.379 2.473 10 5 EEBERO CC1([NH2+]CCc2ccccc2F)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484915677 1191568541 /nfs/dbraw/zinc/56/85/41/1191568541.db2.gz CFJPCMPIYDQPFH-GDBMZVCRSA-N 1 0 349.406 2.004 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1n[nH]c(C)c1C ZINC001273305880 1198007407 /nfs/dbraw/zinc/00/74/07/1198007407.db2.gz XTFORHNASWBASO-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872075099 1198040410 /nfs/dbraw/zinc/04/04/10/1198040410.db2.gz OAJNPYCPCGGOJD-STQMWFEESA-N 1 0 325.384 2.231 10 5 EEBERO CC(C)[C@](C)(CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000810075425 1199238623 /nfs/dbraw/zinc/23/86/23/1199238623.db2.gz LLLMAHUEGJEADX-HNNXBMFYSA-N 1 0 327.356 2.059 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000880180299 1201414118 /nfs/dbraw/zinc/41/41/18/1201414118.db2.gz KJALATDFFXSRCJ-WBVHZDCISA-N 1 0 334.372 2.391 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000866397135 1201507353 /nfs/dbraw/zinc/50/73/53/1201507353.db2.gz CXZDBZICZXAZNH-IAQYHMDHSA-N 1 0 335.379 2.408 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000794951720 1201599293 /nfs/dbraw/zinc/59/92/93/1201599293.db2.gz CUXZILNEQQTJRK-RISCZKNCSA-N 1 0 340.221 2.493 10 5 EEBERO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000866804497 1201609645 /nfs/dbraw/zinc/60/96/45/1201609645.db2.gz YUQVPAHVGCUVAV-UHFFFAOYSA-N 1 0 347.824 2.011 10 5 EEBERO COCCC1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000868038952 1201732210 /nfs/dbraw/zinc/73/22/10/1201732210.db2.gz HNPMRJCHAYGCLZ-UHFFFAOYSA-N 1 0 341.795 2.137 10 5 EEBERO CC[NH+](CC)CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881861587 1201777622 /nfs/dbraw/zinc/77/76/22/1201777622.db2.gz BOTAWOGFRVRWSO-UHFFFAOYSA-N 1 0 344.209 2.315 10 5 EEBERO Cc1c(CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000868535405 1201829866 /nfs/dbraw/zinc/82/98/66/1201829866.db2.gz RVEWXHJCVFDXEV-GDBMZVCRSA-N 1 0 332.404 2.139 10 5 EEBERO Cc1cccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000096995674 1213930469 /nfs/dbraw/zinc/93/04/69/1213930469.db2.gz HDLSGWWPLBYPAG-CQSZACIVSA-N 1 0 336.388 2.417 10 5 EEBERO O=C(CC(F)(F)F)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001273886900 1289342924 /nfs/dbraw/zinc/34/29/24/1289342924.db2.gz BEPRYYHXPGIOTG-UPHRSURJSA-N 1 0 331.294 2.309 10 5 EEBERO COC(=O)C1=CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000858475830 1294128297 /nfs/dbraw/zinc/12/82/97/1294128297.db2.gz LDZZFFPJNCICIM-RISCZKNCSA-N 1 0 347.371 2.163 10 5 EEBERO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1F ZINC000859523318 1294469326 /nfs/dbraw/zinc/46/93/26/1294469326.db2.gz OHBJNCXOCGCYTL-AWEZNQCLSA-N 1 0 338.379 2.487 10 5 EEBERO C[C@@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000861608919 1295476318 /nfs/dbraw/zinc/47/63/18/1295476318.db2.gz YENJIDNAPBYQNK-KOLCDFICSA-N 1 0 326.784 2.188 10 5 EEBERO O=C(CCC(F)F)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001490912440 1296791643 /nfs/dbraw/zinc/79/16/43/1296791643.db2.gz ZKQGPQPWPRPFTH-HAQNSBGRSA-N 1 0 327.331 2.377 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(C)([NH+](C)C)CC1 ZINC000931353802 1297153815 /nfs/dbraw/zinc/15/38/15/1297153815.db2.gz PJVJMDRFVDPEGA-UHFFFAOYSA-N 1 0 334.420 2.258 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC001290613159 1328239457 /nfs/dbraw/zinc/23/94/57/1328239457.db2.gz KTFGCTQYNWPOPS-UHFFFAOYSA-N 1 0 328.372 2.290 10 5 EEBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001302177988 1331318587 /nfs/dbraw/zinc/31/85/87/1331318587.db2.gz LLKBGWIWLTUJNX-QGZVFWFLSA-N 1 0 339.395 2.180 10 5 EEBERO CSc1ccc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001304524702 1331387473 /nfs/dbraw/zinc/38/74/73/1331387473.db2.gz KJQLREVMFVWKGW-CYBMUJFWSA-N 1 0 335.429 2.388 10 5 EEBERO Cc1[nH]ccc1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001321012876 1332997837 /nfs/dbraw/zinc/99/78/37/1332997837.db2.gz LHRUSIRZNRHGAU-PLNGDYQASA-N 1 0 328.372 2.307 10 5 EEBERO C[C@]1(O)CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848487888 1338708281 /nfs/dbraw/zinc/70/82/81/1338708281.db2.gz ZVSAEYMTEKMICQ-AEFFLSMTSA-N 1 0 347.415 2.105 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001620417371 1352359251 /nfs/dbraw/zinc/35/92/51/1352359251.db2.gz SCEUOZQXFWTEDQ-NFFDBFGFSA-N 1 0 333.388 2.015 10 5 EEBERO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001620627993 1352361004 /nfs/dbraw/zinc/36/10/04/1352361004.db2.gz YFAPTJNECVZMAE-LLVKDONJSA-N 1 0 341.367 2.479 10 5 EEBERO Nc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001542337485 1342328431 /nfs/dbraw/zinc/32/84/31/1342328431.db2.gz DUDLHXJYVRIQRW-GFCCVEGCSA-N 1 0 340.383 2.297 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC001597315010 1349922076 /nfs/dbraw/zinc/92/20/76/1349922076.db2.gz WRHCTEPQBZFBIR-AWEZNQCLSA-N 1 0 328.372 2.213 10 5 EEBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC001627904514 1352513583 /nfs/dbraw/zinc/51/35/83/1352513583.db2.gz UPGFZRBQPKFHTJ-UHFFFAOYSA-N 1 0 349.435 2.012 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001629064707 1352548589 /nfs/dbraw/zinc/54/85/89/1352548589.db2.gz HRCYFCWOTJBVKK-ZDUSSCGKSA-N 1 0 332.404 2.171 10 5 EEBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001643230661 1352743910 /nfs/dbraw/zinc/74/39/10/1352743910.db2.gz ZWKPWPIJKFAPHU-GFCCVEGCSA-N 1 0 336.348 2.168 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC001648168699 1353419735 /nfs/dbraw/zinc/41/97/35/1353419735.db2.gz MASJEVGFIROEDD-LBPRGKRZSA-N 1 0 332.385 2.140 10 5 EEBERO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001648479033 1353430817 /nfs/dbraw/zinc/43/08/17/1353430817.db2.gz IRXOUNXXFDDXDY-CQSZACIVSA-N 1 0 326.356 2.133 10 5 EEBERO COC(=O)CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC001167377598 758188897 /nfs/dbraw/zinc/18/88/97/758188897.db2.gz VNXOCJPKTNYQQM-UHFFFAOYSA-N 1 0 348.359 2.418 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000846687404 790399543 /nfs/dbraw/zinc/39/95/43/790399543.db2.gz NYNDJQBCBFEGBS-UHFFFAOYSA-N 1 0 341.795 2.089 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000906792635 784163666 /nfs/dbraw/zinc/16/36/66/784163666.db2.gz ODMLHNKWPALWPD-ONGXEEELSA-N 1 0 340.811 2.385 10 5 EEBERO C[NH+]1CC2(C1)CCN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000907763071 784846625 /nfs/dbraw/zinc/84/66/25/784846625.db2.gz JRJLGFYTYSJLEW-UHFFFAOYSA-N 1 0 337.807 2.345 10 5 EEBERO C[NH2+]CCOCCN(C)c1ccc([N+](=O)[O-])cc1Br ZINC000706612412 785501654 /nfs/dbraw/zinc/50/16/54/785501654.db2.gz XUDQTNLORRGHFW-UHFFFAOYSA-N 1 0 332.198 2.030 10 5 EEBERO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000708887602 786880640 /nfs/dbraw/zinc/88/06/40/786880640.db2.gz BZSUNWGTDNSBNR-GXSJLCMTSA-N 1 0 328.210 2.384 10 5 EEBERO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136506645 786904867 /nfs/dbraw/zinc/90/48/67/786904867.db2.gz ZQYWDVUVIDMPPJ-UHFFFAOYSA-N 1 0 342.399 2.381 10 5 EEBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001136669250 787557700 /nfs/dbraw/zinc/55/77/00/787557700.db2.gz WKICNRTUZOUSLV-CQSZACIVSA-N 1 0 335.404 2.210 10 5 EEBERO [NH3+][C@@H]1CCc2ccccc2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923392942 789506665 /nfs/dbraw/zinc/50/66/65/789506665.db2.gz WCGZHVBOYANFHW-QAPCUYQASA-N 1 0 327.384 2.408 10 5 EEBERO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001148546884 792521046 /nfs/dbraw/zinc/52/10/46/792521046.db2.gz BOTXNEKSIMCSNI-HTQZYQBOSA-N 1 0 344.774 2.182 10 5 EEBERO O=C(OCCn1ccc([N+](=O)[O-])n1)c1cccc(C[NH+]2CCCC2)c1 ZINC000785726399 806555731 /nfs/dbraw/zinc/55/57/31/806555731.db2.gz BSTBNLLXIJESKN-UHFFFAOYSA-N 1 0 344.371 2.244 10 5 EEBERO CC(C)C(=O)N1CCC([N@H+](CCO)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001479749431 1098894194 /nfs/dbraw/zinc/89/41/94/1098894194.db2.gz HKPQNPDQWZCWOH-UHFFFAOYSA-N 1 0 349.431 2.036 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001497519895 1102614276 /nfs/dbraw/zinc/61/42/76/1102614276.db2.gz VWTYQXXLWCXLBO-ONEGZZNKSA-N 1 0 326.356 2.066 10 5 EEBERO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001450260230 1105335077 /nfs/dbraw/zinc/33/50/77/1105335077.db2.gz ISSMSSMAZFYCBL-GXFFZTMASA-N 1 0 325.796 2.342 10 5 EEBERO Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001493599602 1108382761 /nfs/dbraw/zinc/38/27/61/1108382761.db2.gz FTVFEMAOXYHXQX-UHFFFAOYSA-N 1 0 330.388 2.402 10 5 EEBERO Cc1nc(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])co1 ZINC001502176413 1113628460 /nfs/dbraw/zinc/62/84/60/1113628460.db2.gz SQQGQWBUVMWENI-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC001518443542 1119056994 /nfs/dbraw/zinc/05/69/94/1119056994.db2.gz NHFGZWNTFQOGAT-WBMJQRKESA-N 1 0 335.429 2.097 10 5 EEBERO O=C(NC[C@@]12CC[N@H+](C1)CCC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001521726536 1119273142 /nfs/dbraw/zinc/27/31/42/1119273142.db2.gz IVAKMQGQKYHJHC-GOSISDBHSA-N 1 0 340.383 2.359 10 5 EEBERO O=C(NCc1ccc2c[nH+]cn2c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001535353670 1123552237 /nfs/dbraw/zinc/55/22/37/1123552237.db2.gz INZVBUAZAYZOBS-UHFFFAOYSA-N 1 0 332.266 2.451 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001536776260 1123806766 /nfs/dbraw/zinc/80/67/66/1123806766.db2.gz NVTPEPHIEIFBQI-AHIWAGSCSA-N 1 0 349.456 2.486 10 5 EEBERO Cc1ncccc1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568909412 1124937669 /nfs/dbraw/zinc/93/76/69/1124937669.db2.gz BWGFUGITLKGAAQ-SNAWJCMRSA-N 1 0 340.383 2.374 10 5 EEBERO C[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000053202022 214169824 /nfs/dbraw/zinc/16/98/24/214169824.db2.gz RSEAYZOMFNBZOD-SECBINFHSA-N 1 0 342.193 2.181 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+](C(C)C)C(C)C)n1 ZINC000191834610 237275485 /nfs/dbraw/zinc/27/54/85/237275485.db2.gz INLFBQWZOAEEEB-UHFFFAOYSA-N 1 0 325.413 2.050 10 5 EEBERO COc1ccc(C)cc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000072314815 216149162 /nfs/dbraw/zinc/14/91/62/216149162.db2.gz ZDAZKZXADZJAAG-SJLPKXTDSA-N 1 0 346.383 2.096 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@](O)(CO)C3)o2)c1 ZINC000459665005 245201155 /nfs/dbraw/zinc/20/11/55/245201155.db2.gz BMYUGOVBUAOMBD-KRWDZBQOSA-N 1 0 332.356 2.174 10 5 EEBERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494653731 246995517 /nfs/dbraw/zinc/99/55/17/246995517.db2.gz FRTYADKBRDSCTC-AWEZNQCLSA-N 1 0 349.412 2.251 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000069006798 159024946 /nfs/dbraw/zinc/02/49/46/159024946.db2.gz VGJAYTABLJAWGK-GFCCVEGCSA-N 1 0 339.367 2.103 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000247004110 160305135 /nfs/dbraw/zinc/30/51/35/160305135.db2.gz QIRJNKAHLCOIQG-KBPBESRZSA-N 1 0 333.388 2.059 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000342438705 161065721 /nfs/dbraw/zinc/06/57/21/161065721.db2.gz PFSHCQDDIBGLSG-WDEREUQCSA-N 1 0 341.358 2.357 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000344168366 161204197 /nfs/dbraw/zinc/20/41/97/161204197.db2.gz OQEVOUSEEYWHHZ-SNVBAGLBSA-N 1 0 329.347 2.262 10 5 EEBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c2c(c1)COCO2 ZINC000355101010 163080383 /nfs/dbraw/zinc/08/03/83/163080383.db2.gz BTOCVXMOYBXVJS-BLLLJJGKSA-N 1 0 334.372 2.462 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000360342298 164287991 /nfs/dbraw/zinc/28/79/91/164287991.db2.gz IXSCPCQAVXXZJE-AWEZNQCLSA-N 1 0 340.383 2.153 10 5 EEBERO COC(=O)CC1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000280428548 269361288 /nfs/dbraw/zinc/36/12/88/269361288.db2.gz MIHBRCZCOXPGBB-UHFFFAOYSA-N 1 0 349.387 2.023 10 5 EEBERO Cn1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000340375530 277137088 /nfs/dbraw/zinc/13/70/88/277137088.db2.gz RNHRRXCATXPRNY-CJNGLKHVSA-N 1 0 328.372 2.109 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414346583 313000906 /nfs/dbraw/zinc/00/09/06/313000906.db2.gz UVICJVRNLKRTEO-MGPQQGTHSA-N 1 0 335.404 2.453 10 5 EEBERO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000532143669 317844798 /nfs/dbraw/zinc/84/47/98/317844798.db2.gz UJWJHZPMEZFTAO-OAHLLOKOSA-N 1 0 344.371 2.458 10 5 EEBERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000547757650 318319583 /nfs/dbraw/zinc/31/95/83/318319583.db2.gz FPYHWBGLSNUGSU-AWEZNQCLSA-N 1 0 343.387 2.102 10 5 EEBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562979303 318952337 /nfs/dbraw/zinc/95/23/37/318952337.db2.gz NDJNDGWQJIIYIM-MRXNPFEDSA-N 1 0 335.429 2.289 10 5 EEBERO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000182184583 323368073 /nfs/dbraw/zinc/36/80/73/323368073.db2.gz QFGIMTQWGQDZRI-HNNXBMFYSA-N 1 0 338.404 2.224 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCC1CCOCC1 ZINC000581066438 324179038 /nfs/dbraw/zinc/17/90/38/324179038.db2.gz BDMSFUNDWRIVJH-HNNXBMFYSA-N 1 0 338.404 2.131 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000347453832 465030564 /nfs/dbraw/zinc/03/05/64/465030564.db2.gz MPJQWXDINNRADH-AWEZNQCLSA-N 1 0 333.388 2.048 10 5 EEBERO Cc1cc(N2CCN(C3CC3)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000337000675 465142630 /nfs/dbraw/zinc/14/26/30/465142630.db2.gz SXVFAEGEPQQLMZ-UHFFFAOYSA-N 1 0 326.356 2.262 10 5 EEBERO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347911631 465304410 /nfs/dbraw/zinc/30/44/10/465304410.db2.gz LQUJEPWAPPBEQL-ZDUSSCGKSA-N 1 0 328.372 2.385 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000073988229 462540884 /nfs/dbraw/zinc/54/08/84/462540884.db2.gz CZXOXVPNOGJZQY-KGLIPLIRSA-N 1 0 333.388 2.302 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000090068559 462771942 /nfs/dbraw/zinc/77/19/42/462771942.db2.gz ADMJWRGCZIWHCJ-FZMZJTMJSA-N 1 0 329.360 2.453 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000076490770 462868708 /nfs/dbraw/zinc/86/87/08/462868708.db2.gz GBZWDMHODIRRQP-CZUORRHYSA-N 1 0 335.404 2.162 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000120199290 462973008 /nfs/dbraw/zinc/97/30/08/462973008.db2.gz FDKVIHCTXIGJGX-ZDUSSCGKSA-N 1 0 336.392 2.006 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157452568 463132319 /nfs/dbraw/zinc/13/23/19/463132319.db2.gz BIYJZQVXXKMMIX-LBPRGKRZSA-N 1 0 330.388 2.077 10 5 EEBERO COc1cc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000121544235 463154418 /nfs/dbraw/zinc/15/44/18/463154418.db2.gz AALWVZISVKWMIV-UHFFFAOYSA-N 1 0 339.392 2.136 10 5 EEBERO C[NH+](C)C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000028881591 463235708 /nfs/dbraw/zinc/23/57/08/463235708.db2.gz LZSFQBBAUGUHGR-KRWDZBQOSA-N 1 0 343.383 2.393 10 5 EEBERO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000123001649 463308802 /nfs/dbraw/zinc/30/88/02/463308802.db2.gz PJDPGZJLQDACFJ-SCZZXKLOSA-N 1 0 329.198 2.316 10 5 EEBERO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCn2cccn2)CC1 ZINC000105863078 463480135 /nfs/dbraw/zinc/48/01/35/463480135.db2.gz VNGCUMNUADSPEA-UHFFFAOYSA-N 1 0 343.431 2.388 10 5 EEBERO COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000105884147 463487958 /nfs/dbraw/zinc/48/79/58/463487958.db2.gz ZOTKSYXFDAPCKH-CQSZACIVSA-N 1 0 331.376 2.107 10 5 EEBERO CC(C)C[C@H](CO)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185326311 463801204 /nfs/dbraw/zinc/80/12/04/463801204.db2.gz MYUINLYPOFREGE-CQSZACIVSA-N 1 0 334.376 2.484 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000269499580 464001961 /nfs/dbraw/zinc/00/19/61/464001961.db2.gz MVCSIJQADLUKFP-NEPJUHHUSA-N 1 0 337.424 2.244 10 5 EEBERO C[C@@H]1C[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C ZINC000172765457 464140462 /nfs/dbraw/zinc/14/04/62/464140462.db2.gz XGMPXDNSKCKGKI-DGCLKSJQSA-N 1 0 332.404 2.398 10 5 EEBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000237533679 464335563 /nfs/dbraw/zinc/33/55/63/464335563.db2.gz LHWBFCAHCBIHEM-UHFFFAOYSA-N 1 0 341.433 2.233 10 5 EEBERO CC(C)(NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000599929601 468416511 /nfs/dbraw/zinc/41/65/11/468416511.db2.gz SVLQGBOXXHSNNU-AWEZNQCLSA-N 1 0 332.404 2.414 10 5 EEBERO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000272518830 464642785 /nfs/dbraw/zinc/64/27/85/464642785.db2.gz KSLCREBYPZMVFP-JKSUJKDBSA-N 1 0 329.404 2.102 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000247523092 464690078 /nfs/dbraw/zinc/69/00/78/464690078.db2.gz WWPCEDJJKSXYSX-KBPBESRZSA-N 1 0 332.404 2.092 10 5 EEBERO CCO[C@@H](CC[NH+](C)C)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183075227 464790557 /nfs/dbraw/zinc/79/05/57/464790557.db2.gz DNFVTEIWSCSPGJ-VSOYFRJCSA-N 1 0 349.431 2.471 10 5 EEBERO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2C[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000298413577 465388249 /nfs/dbraw/zinc/38/82/49/465388249.db2.gz FPVOMCZHYCCZEL-BJHJDKERSA-N 1 0 337.376 2.041 10 5 EEBERO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348180209 465474686 /nfs/dbraw/zinc/47/46/86/465474686.db2.gz KUSYSJUCWQOFGU-OAHLLOKOSA-N 1 0 343.387 2.313 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@]2(CCCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000357065042 465739696 /nfs/dbraw/zinc/73/96/96/465739696.db2.gz DTJNLBREHIXAKW-SFHVURJKSA-N 1 0 347.415 2.450 10 5 EEBERO C[C@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000331111933 465938662 /nfs/dbraw/zinc/93/86/62/465938662.db2.gz ISUMFUKIWAMERR-VHSXEESVSA-N 1 0 327.331 2.014 10 5 EEBERO CC[NH+]1CCN([C@H](C)CNc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301515894 465976200 /nfs/dbraw/zinc/97/62/00/465976200.db2.gz JVNMMGUZTKRZBQ-GFCCVEGCSA-N 1 0 340.399 2.180 10 5 EEBERO Nc1nccc([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000366890876 465998180 /nfs/dbraw/zinc/99/81/80/465998180.db2.gz REXSZNIAOYTIHH-ZDUSSCGKSA-N 1 0 343.387 2.225 10 5 EEBERO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594042121 468469658 /nfs/dbraw/zinc/46/96/58/468469658.db2.gz GPSXCEOSVOKNBY-PVAVHDDUSA-N 1 0 338.404 2.272 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000302152427 466106630 /nfs/dbraw/zinc/10/66/30/466106630.db2.gz HYKVQBJVWYNIOY-ZDUSSCGKSA-N 1 0 333.388 2.304 10 5 EEBERO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349718444 466204624 /nfs/dbraw/zinc/20/46/24/466204624.db2.gz GCTJLMROKDZAOQ-HNNXBMFYSA-N 1 0 342.403 2.063 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000340889929 466411686 /nfs/dbraw/zinc/41/16/86/466411686.db2.gz YWVZOPZNZNAUMU-GFCCVEGCSA-N 1 0 333.392 2.043 10 5 EEBERO Cc1cc(NC[C@H](CO)c2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340940854 466451228 /nfs/dbraw/zinc/45/12/28/466451228.db2.gz SQHUOHMXTZSNCL-CQSZACIVSA-N 1 0 338.367 2.456 10 5 EEBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCSC[C@@H]2CCO)cc1 ZINC000347373620 466596540 /nfs/dbraw/zinc/59/65/40/466596540.db2.gz QFMXTKZOQSBUQF-AWEZNQCLSA-N 1 0 326.418 2.164 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411314300 466804355 /nfs/dbraw/zinc/80/43/55/466804355.db2.gz DQDZBEOVWSHLLP-BBRMVZONSA-N 1 0 333.388 2.424 10 5 EEBERO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417235960 466811588 /nfs/dbraw/zinc/81/15/88/466811588.db2.gz SIDPRMTUZDQVFN-MZBDJJRSSA-N 1 0 332.404 2.062 10 5 EEBERO O=C1C[C@@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000414214511 467391805 /nfs/dbraw/zinc/39/18/05/467391805.db2.gz ZDEBFFSDCQZZEE-FZKQIMNGSA-N 1 0 325.368 2.410 10 5 EEBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000414999566 467465048 /nfs/dbraw/zinc/46/50/48/467465048.db2.gz KIENZDDRGQXEOH-LLVKDONJSA-N 1 0 337.273 2.283 10 5 EEBERO Cn1ccnc1[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594509323 468612864 /nfs/dbraw/zinc/61/28/64/468612864.db2.gz HMTGYGPINMXJMT-XOKHGSTOSA-N 1 0 343.431 2.348 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000597662845 468630216 /nfs/dbraw/zinc/63/02/16/468630216.db2.gz ANCWPVHMTJBNKH-UHFFFAOYSA-N 1 0 333.388 2.161 10 5 EEBERO Cc1cc(N2CC3CC2(C[NH3+])C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594699148 468657070 /nfs/dbraw/zinc/65/70/70/468657070.db2.gz QSEHQDAHWXLCRW-UHFFFAOYSA-N 1 0 325.372 2.288 10 5 EEBERO C[C@@]1(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594731996 468667023 /nfs/dbraw/zinc/66/70/23/468667023.db2.gz IXSNEARWJVLXSM-SMDDNHRTSA-N 1 0 330.331 2.360 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CN(c2ccncn2)C1 ZINC000601158220 468763921 /nfs/dbraw/zinc/76/39/21/468763921.db2.gz PEFXADUYXTVDQX-QPEQYQDCSA-N 1 0 325.372 2.267 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601175872 468771732 /nfs/dbraw/zinc/77/17/32/468771732.db2.gz RCBQNSPCFURTSG-QWHCGFSZSA-N 1 0 330.388 2.034 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c1 ZINC000593025779 468844761 /nfs/dbraw/zinc/84/47/61/468844761.db2.gz XXDFJIMXXRXFRH-YVEFUNNKSA-N 1 0 336.388 2.364 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000598465129 468874434 /nfs/dbraw/zinc/87/44/34/468874434.db2.gz DKJFLUMBHAKBJL-UHFFFAOYSA-N 1 0 325.413 2.292 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000601549930 468915400 /nfs/dbraw/zinc/91/54/00/468915400.db2.gz IOFRDHSKXVDMTF-GFCCVEGCSA-N 1 0 341.367 2.381 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595873990 469057763 /nfs/dbraw/zinc/05/77/63/469057763.db2.gz QHKPNXKENLKQEE-UHFFFAOYSA-N 1 0 348.447 2.194 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](O)[C@@H]3CCCO3)o2)c1 ZINC000598989862 469079617 /nfs/dbraw/zinc/07/96/17/469079617.db2.gz DIJVLWCOYOUVMH-WBVHZDCISA-N 1 0 332.356 2.484 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595932871 469089154 /nfs/dbraw/zinc/08/91/54/469089154.db2.gz CZRHUUZVHBTTKO-CYBMUJFWSA-N 1 0 349.435 2.122 10 5 EEBERO Nc1cc(N2CC[NH+](C3CCCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000588001425 469102743 /nfs/dbraw/zinc/10/27/43/469102743.db2.gz VUGGTLNEBYEHSV-UHFFFAOYSA-N 1 0 334.420 2.124 10 5 EEBERO C[C@](O)(C[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000601967631 469118236 /nfs/dbraw/zinc/11/82/36/469118236.db2.gz VNWJJHYCOWGBKE-HOCLYGCPSA-N 1 0 342.823 2.292 10 5 EEBERO COC(=O)c1c(Cl)c(N2CC[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596125434 469168353 /nfs/dbraw/zinc/16/83/53/469168353.db2.gz BBUZRRRWLIBGKL-JTQLQIEISA-N 1 0 341.795 2.423 10 5 EEBERO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602168632 469223232 /nfs/dbraw/zinc/22/32/32/469223232.db2.gz YZYZCNPQXDHOOK-PQEBFOHHSA-N 1 0 329.400 2.441 10 5 EEBERO CN1CCN(Cc2ccccc2)[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000596551648 469298849 /nfs/dbraw/zinc/29/88/49/469298849.db2.gz LTLDTUCDXAPIHL-MRXNPFEDSA-N 1 0 341.415 2.218 10 5 EEBERO CC(C)(C)c1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599603193 469305968 /nfs/dbraw/zinc/30/59/68/469305968.db2.gz BLGPMMWACIIASU-LBPRGKRZSA-N 1 0 336.392 2.002 10 5 EEBERO CCC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000615761622 469310226 /nfs/dbraw/zinc/31/02/26/469310226.db2.gz WTLGORUGDBUZPT-OAHLLOKOSA-N 1 0 326.418 2.460 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000610135710 469983014 /nfs/dbraw/zinc/98/30/14/469983014.db2.gz IWISXNDDPHFQLT-QWRGUYRKSA-N 1 0 347.462 2.150 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)o2)cc1 ZINC000595829860 485609737 /nfs/dbraw/zinc/60/97/37/485609737.db2.gz IWKDBHDWVVBUMK-STQMWFEESA-N 1 0 330.344 2.113 10 5 EEBERO COCC[NH+]1CCC(NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751527214 577754907 /nfs/dbraw/zinc/75/49/07/577754907.db2.gz GJZRCDJCIUNWCE-BUHFOSPRSA-N 1 0 347.415 2.225 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933391762 676658406 /nfs/dbraw/zinc/65/84/06/676658406.db2.gz GQPFZXORIPNKMO-YVEFUNNKSA-N 1 0 331.372 2.143 10 5 EEBERO COC(=O)[C@H]1[C@@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000894679806 683021992 /nfs/dbraw/zinc/02/19/92/683021992.db2.gz UHLVKLUJTBVIGG-CHWSQXEVSA-N 1 0 328.315 2.123 10 5 EEBERO CC1([NH+]2CCC2)CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000895672480 684681965 /nfs/dbraw/zinc/68/19/65/684681965.db2.gz ZVSUECXSXOSRGW-UHFFFAOYSA-N 1 0 347.415 2.426 10 5 EEBERO O=C(Cc1ccc[nH]1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691478518 1178952657 /nfs/dbraw/zinc/95/26/57/1178952657.db2.gz HMFNYDXYHPRFKT-FZNQNYSPSA-N 1 0 342.399 2.150 10 5 EEBERO Cc1cccc(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001269859394 1184675364 /nfs/dbraw/zinc/67/53/64/1184675364.db2.gz SGEMYBQJAACVMJ-QZTJIDSGSA-N 1 0 345.443 2.379 10 5 EEBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Cc1ccco1 ZINC001483499757 1190513864 /nfs/dbraw/zinc/51/38/64/1190513864.db2.gz XGCAXXQAJUUFPZ-UHFFFAOYSA-N 1 0 337.401 2.430 10 5 EEBERO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001484180666 1191258718 /nfs/dbraw/zinc/25/87/18/1191258718.db2.gz GEDMMOJXWZNDCF-LZWSPWQCSA-N 1 0 347.415 2.316 10 5 EEBERO COCC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)CC1 ZINC001484643309 1191451475 /nfs/dbraw/zinc/45/14/75/1191451475.db2.gz VSQMYVBPBJDXSW-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO COC1CC[NH+](CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872043553 1198033478 /nfs/dbraw/zinc/03/34/78/1198033478.db2.gz YURSWDHEECQDPA-LBPRGKRZSA-N 1 0 325.384 2.495 10 5 EEBERO CC1(C)CC[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000872296485 1198133754 /nfs/dbraw/zinc/13/37/54/1198133754.db2.gz NWYQFVZPLYNNFE-UHFFFAOYSA-N 1 0 325.796 2.391 10 5 EEBERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000874827786 1199022773 /nfs/dbraw/zinc/02/27/73/1199022773.db2.gz UDCHRVBDJIGCEV-YLFCFFPRSA-N 1 0 329.400 2.393 10 5 EEBERO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001132962709 1200229327 /nfs/dbraw/zinc/22/93/27/1200229327.db2.gz GSCWTGYQGSJCNN-OAHLLOKOSA-N 1 0 340.355 2.149 10 5 EEBERO O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000866721529 1201590011 /nfs/dbraw/zinc/59/00/11/1201590011.db2.gz WJVAZCACVRAEPV-AAEUAGOBSA-N 1 0 338.795 2.013 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000882234330 1201837059 /nfs/dbraw/zinc/83/70/59/1201837059.db2.gz YOTGIHZNWBBRMR-GFCCVEGCSA-N 1 0 335.404 2.079 10 5 EEBERO CCc1n[nH]cc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001276100037 1205780422 /nfs/dbraw/zinc/78/04/22/1205780422.db2.gz WFDSUHVRUTXPTO-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO C[C@H]1[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000928453407 1206387051 /nfs/dbraw/zinc/38/70/51/1206387051.db2.gz KLDMIHINCXLTCS-DZGCQCFKSA-N 1 0 346.431 2.020 10 5 EEBERO O=[N+]([O-])c1ccccc1OCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931291194 1206622546 /nfs/dbraw/zinc/62/25/46/1206622546.db2.gz NECQLRBTVZMKGM-UHFFFAOYSA-N 1 0 349.431 2.160 10 5 EEBERO Cn1nccc1C1=CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000795654267 1214677401 /nfs/dbraw/zinc/67/74/01/1214677401.db2.gz BCXQMHCWAFGGBJ-UHFFFAOYSA-N 1 0 338.371 2.425 10 5 EEBERO CCC(=O)c1ccc(N2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000826767463 1248066131 /nfs/dbraw/zinc/06/61/31/1248066131.db2.gz FGFAAYRWGGUVIK-UHFFFAOYSA-N 1 0 347.415 2.489 10 5 EEBERO O=C(CCn1cccc1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001491065359 1258633315 /nfs/dbraw/zinc/63/33/15/1258633315.db2.gz DFHUDTXCNXPBHE-IYBDPMFKSA-N 1 0 342.399 2.223 10 5 EEBERO CCC(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853964785 1292560122 /nfs/dbraw/zinc/56/01/22/1292560122.db2.gz AOGIBURGAMETHI-OAHLLOKOSA-N 1 0 347.415 2.223 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000859955309 1294724814 /nfs/dbraw/zinc/72/48/14/1294724814.db2.gz UGHSHEUIFWGOCI-VQHPVUNQSA-N 1 0 348.399 2.292 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC(F)(F)C1 ZINC001277035810 1300972091 /nfs/dbraw/zinc/97/20/91/1300972091.db2.gz DSYKFHPFBUGVDU-UHFFFAOYSA-N 1 0 339.342 2.379 10 5 EEBERO Cc1ccc(C(=O)N[C@H]2CCC[C@H]2[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001118914540 1308959140 /nfs/dbraw/zinc/95/91/40/1308959140.db2.gz AMUJOQYBJYEWKP-JKSUJKDBSA-N 1 0 347.415 2.011 10 5 EEBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001142927015 1315801951 /nfs/dbraw/zinc/80/19/51/1315801951.db2.gz DGAICOUCLUKOKH-GJZGRUSLSA-N 1 0 335.404 2.209 10 5 EEBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001142927979 1315802135 /nfs/dbraw/zinc/80/21/35/1315802135.db2.gz RWFDXIVDSLBZBV-HUUCEWRRSA-N 1 0 334.420 2.242 10 5 EEBERO CC(C)(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001263827555 1322530632 /nfs/dbraw/zinc/53/06/32/1322530632.db2.gz IIAOPPLDYYUMOW-OKILXGFUSA-N 1 0 347.415 2.194 10 5 EEBERO Cc1nc(C)c(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001316851404 1331934329 /nfs/dbraw/zinc/93/43/29/1331934329.db2.gz WKLFSNGMTUFUMW-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001319351363 1332689533 /nfs/dbraw/zinc/68/95/33/1332689533.db2.gz IMKYCKSQNDGRRO-IAGOWNOFSA-N 1 0 345.443 2.433 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC001349693709 1337639524 /nfs/dbraw/zinc/63/95/24/1337639524.db2.gz LWKXFYPRZYHGAV-KCTSRDHCSA-N 1 0 342.399 2.075 10 5 EEBERO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001352911054 1338104936 /nfs/dbraw/zinc/10/49/36/1338104936.db2.gz XNWPKNLEYIXWBY-HOCLYGCPSA-N 1 0 347.415 2.216 10 5 EEBERO C[N@H+](CC1CCOCC1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483527 1338706338 /nfs/dbraw/zinc/70/63/38/1338706338.db2.gz JCMQXEMGIXVQRF-KRWDZBQOSA-N 1 0 347.415 2.227 10 5 EEBERO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001620569015 1352360582 /nfs/dbraw/zinc/36/05/82/1352360582.db2.gz VZCOLNJNWHFQAB-MNOVXSKESA-N 1 0 336.392 2.258 10 5 EEBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001436339155 1342040779 /nfs/dbraw/zinc/04/07/79/1342040779.db2.gz KLRURWQPCHIQLF-UXLLHSPISA-N 1 0 331.416 2.326 10 5 EEBERO COCCC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001676030681 1357092366 /nfs/dbraw/zinc/09/23/66/1357092366.db2.gz YBRSAUSHRMZOIO-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO C[N@@H+]1CCCC12CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001597735285 1349930619 /nfs/dbraw/zinc/93/06/19/1349930619.db2.gz SHXYBQQXUSKPPP-UHFFFAOYSA-N 1 0 347.415 2.451 10 5 EEBERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001625612950 1352453135 /nfs/dbraw/zinc/45/31/35/1352453135.db2.gz XDAHCFYYWZJLQD-LBPRGKRZSA-N 1 0 334.420 2.417 10 5 EEBERO COc1cc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc([N+](=O)[O-])c1C ZINC001627621987 1352503922 /nfs/dbraw/zinc/50/39/22/1352503922.db2.gz YLAZEZUCCCRFPP-UHFFFAOYSA-N 1 0 335.404 2.374 10 5 EEBERO O=C(CC[N@@H+]1CC[C@@H](F)C1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001636246760 1352661838 /nfs/dbraw/zinc/66/18/38/1352661838.db2.gz LDQUCKFFPDZNAU-LLVKDONJSA-N 1 0 329.759 2.298 10 5 EEBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001648020290 1353413633 /nfs/dbraw/zinc/41/36/33/1353413633.db2.gz XFHYVLXECRTAIT-IAGOWNOFSA-N 1 0 335.379 2.456 10 5 EEBERO CC(C)(C)[NH2+]CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001648583372 1353434694 /nfs/dbraw/zinc/43/46/94/1353434694.db2.gz WRLPUVNXFJNJBG-UHFFFAOYSA-N 1 0 330.388 2.448 10 5 EEBERO C[NH+]1CCC(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC1 ZINC001650712733 1354027640 /nfs/dbraw/zinc/02/76/40/1354027640.db2.gz ZKUMFOJVLHAEQY-UHFFFAOYSA-N 1 0 345.359 2.227 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652275094 1354084817 /nfs/dbraw/zinc/08/48/17/1354084817.db2.gz LJZLWEQGGBROLO-MRVPVSSYSA-N 1 0 332.187 2.469 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC001654567704 1354152155 /nfs/dbraw/zinc/15/21/55/1354152155.db2.gz CUYTYBOMRUZFJX-VXGBXAGGSA-N 1 0 331.376 2.315 10 5 EEBERO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001655611168 1354179941 /nfs/dbraw/zinc/17/99/41/1354179941.db2.gz YLAUBMIGNALOKR-TZMCWYRMSA-N 1 0 339.348 2.034 10 5 EEBERO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(CF)CCC1 ZINC001661473628 1354643875 /nfs/dbraw/zinc/64/38/75/1354643875.db2.gz NDGZREXXXMGBHB-HDJSIYSDSA-N 1 0 335.379 2.471 10 5 EEBERO C/C=C(/C)C(=O)NC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001674307071 1356815923 /nfs/dbraw/zinc/81/59/23/1356815923.db2.gz JEWPFVSMOWPIJM-BNNQUZSASA-N 1 0 347.415 2.004 10 5 EEBERO C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000925803891 777100069 /nfs/dbraw/zinc/10/00/69/777100069.db2.gz XIMVFPQRTZJICR-FRFSOERESA-N 1 0 343.431 2.253 10 5 EEBERO COc1cc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc([N+](=O)[O-])c1C ZINC000913281946 788757993 /nfs/dbraw/zinc/75/79/93/788757993.db2.gz VHAHNKVKXNHRFF-HDICACEKSA-N 1 0 347.415 2.326 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@]2(C)C1 ZINC000913284825 788762010 /nfs/dbraw/zinc/76/20/10/788762010.db2.gz REGKSCVVXLJCML-QZTJIDSGSA-N 1 0 342.399 2.490 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000845157334 789614223 /nfs/dbraw/zinc/61/42/23/789614223.db2.gz PMZWIKBXPSRNGY-AWEZNQCLSA-N 1 0 338.360 2.011 10 5 EEBERO Cc1cc(C(=O)NC2CCC(C)([NH+](C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC001171934356 796817823 /nfs/dbraw/zinc/81/78/23/796817823.db2.gz HUPAQXGPUWZXAO-UHFFFAOYSA-N 1 0 334.420 2.478 10 5 EEBERO O=C(NCc1ccc2c[nH+]cn2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001436628278 1088075380 /nfs/dbraw/zinc/07/53/80/1088075380.db2.gz UYHINBKOMUFFDO-UHFFFAOYSA-N 1 0 341.283 2.081 10 5 EEBERO CCn1cnc(C(=O)NCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001479808050 1099055068 /nfs/dbraw/zinc/05/50/68/1099055068.db2.gz OKMUMUDMQMYVRY-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO COc1ccc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001497713747 1102952935 /nfs/dbraw/zinc/95/29/35/1102952935.db2.gz JJMBAUMADVQMHN-NSCUHMNNSA-N 1 0 345.355 2.272 10 5 EEBERO CCOc1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001469334312 1110489463 /nfs/dbraw/zinc/48/94/63/1110489463.db2.gz WXHWUJTZZZTFSE-GJZGRUSLSA-N 1 0 335.404 2.452 10 5 EEBERO O=C(CC1CCOCC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001499188093 1112169837 /nfs/dbraw/zinc/16/98/37/1112169837.db2.gz RHXQIVPSOLWNNC-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001529267894 1121383307 /nfs/dbraw/zinc/38/33/07/1121383307.db2.gz JSCZJZFGSWYJCX-NWANDNLSSA-N 1 0 344.415 2.239 10 5 EEBERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)o1 ZINC001534447652 1123327675 /nfs/dbraw/zinc/32/76/75/1123327675.db2.gz IAWVMRFRUGLKLI-UHFFFAOYSA-N 1 0 346.387 2.404 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001543699602 1124133196 /nfs/dbraw/zinc/13/31/96/1124133196.db2.gz RPUIISOXIZMJBE-CJNGLKHVSA-N 1 0 334.420 2.243 10 5 EEBERO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000054263884 214228413 /nfs/dbraw/zinc/22/84/13/214228413.db2.gz VIUMRHSUTNNNLH-UHFFFAOYSA-N 1 0 330.182 2.087 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187307283 236173627 /nfs/dbraw/zinc/17/36/27/236173627.db2.gz CNAXHHJDXYVAKO-AWEZNQCLSA-N 1 0 342.399 2.080 10 5 EEBERO C[C@@]12C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451377317 243094909 /nfs/dbraw/zinc/09/49/09/243094909.db2.gz XCUZAIBJOGWAMS-OPNLHGRLSA-N 1 0 327.384 2.338 10 5 EEBERO COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000092616092 218154282 /nfs/dbraw/zinc/15/42/82/218154282.db2.gz YDJQLPCCIGFFDQ-CQSZACIVSA-N 1 0 335.404 2.282 10 5 EEBERO C[C@H]([NH2+]C(C)(C)CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270804897 256174094 /nfs/dbraw/zinc/17/40/94/256174094.db2.gz OIJWAKNQPHGBAD-LBPRGKRZSA-N 1 0 345.403 2.188 10 5 EEBERO CCOc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000190741138 152220754 /nfs/dbraw/zinc/22/07/54/152220754.db2.gz HKJFIGRMBJTVGL-ZDUSSCGKSA-N 1 0 333.388 2.350 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000104080129 159282672 /nfs/dbraw/zinc/28/26/72/159282672.db2.gz AURQEUXMOUPGCD-AWEZNQCLSA-N 1 0 346.431 2.482 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000188221210 160119139 /nfs/dbraw/zinc/11/91/39/160119139.db2.gz FTLWQCMYINVZHK-ZDUSSCGKSA-N 1 0 343.449 2.158 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1-n1ccnc1 ZINC000195012630 160204395 /nfs/dbraw/zinc/20/43/95/160204395.db2.gz QNFSYJBLBFAKTJ-UHFFFAOYSA-N 1 0 337.339 2.414 10 5 EEBERO O=[N+]([O-])c1cnccc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000343521040 161143077 /nfs/dbraw/zinc/14/30/77/161143077.db2.gz QXOFMYDLTQFZBS-INIZCTEOSA-N 1 0 326.400 2.388 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)cn1 ZINC000355569868 163233933 /nfs/dbraw/zinc/23/39/33/163233933.db2.gz HRGVKSPZIQTCBZ-UHFFFAOYSA-N 1 0 334.420 2.319 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359035128 164042026 /nfs/dbraw/zinc/04/20/26/164042026.db2.gz AALWTEDDSNLRAE-LLVKDONJSA-N 1 0 343.330 2.410 10 5 EEBERO COC1(c2ccccc2)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375576246 167160992 /nfs/dbraw/zinc/16/09/92/167160992.db2.gz FWGWFOODOYKZAG-KRWDZBQOSA-N 1 0 328.368 2.486 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378237358 167646522 /nfs/dbraw/zinc/64/65/22/167646522.db2.gz YTEXRNCWQWGAME-CJNGLKHVSA-N 1 0 346.431 2.265 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278598847 274380486 /nfs/dbraw/zinc/38/04/86/274380486.db2.gz DTXMSVJAQLQJKS-VIFPVBQESA-N 1 0 331.294 2.468 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c2ncccc12 ZINC000174685959 275037099 /nfs/dbraw/zinc/03/70/99/275037099.db2.gz NDKLNDBYCRLWIM-ZDUSSCGKSA-N 1 0 330.388 2.402 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000177699314 276182924 /nfs/dbraw/zinc/18/29/24/276182924.db2.gz HXQJKCYQOIERGO-HNNXBMFYSA-N 1 0 334.420 2.258 10 5 EEBERO CN1C(=O)CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000424319035 277008259 /nfs/dbraw/zinc/00/82/59/277008259.db2.gz QGALABLNFDHSIR-KBPBESRZSA-N 1 0 331.372 2.054 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000360242935 278076879 /nfs/dbraw/zinc/07/68/79/278076879.db2.gz SJVJXKBQWZKOLK-UHFFFAOYSA-N 1 0 349.778 2.373 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000495240971 281261267 /nfs/dbraw/zinc/26/12/67/281261267.db2.gz NSPSKKMJANZPIM-YVEFUNNKSA-N 1 0 335.404 2.325 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417717827 313575147 /nfs/dbraw/zinc/57/51/47/313575147.db2.gz LCOPJILGAITHAL-RDJZCZTQSA-N 1 0 346.431 2.311 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(CO)Cc4ccccc4C3)nc2c1 ZINC000436269654 314953133 /nfs/dbraw/zinc/95/31/33/314953133.db2.gz LJVJOKKJFFAKJL-UHFFFAOYSA-N 1 0 338.367 2.091 10 5 EEBERO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1(C)C ZINC000444803975 315326310 /nfs/dbraw/zinc/32/63/10/315326310.db2.gz ONXRUXHMDVQMSM-RDJZCZTQSA-N 1 0 338.404 2.259 10 5 EEBERO CN(CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc[nH+]cc1 ZINC000577597163 320264728 /nfs/dbraw/zinc/26/47/28/320264728.db2.gz MMGCANYQUQNAPN-UHFFFAOYSA-N 1 0 340.343 2.331 10 5 EEBERO C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000251614510 464936984 /nfs/dbraw/zinc/93/69/84/464936984.db2.gz DPPDKYNCHMZGSI-GZMMTYOYSA-N 1 0 329.198 2.139 10 5 EEBERO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358303005 465047024 /nfs/dbraw/zinc/04/70/24/465047024.db2.gz UHYCNUKYTOZDGV-LBPRGKRZSA-N 1 0 326.418 2.460 10 5 EEBERO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000328564664 465062029 /nfs/dbraw/zinc/06/20/29/465062029.db2.gz KSCAFDCNQGSDFX-CQSZACIVSA-N 1 0 325.368 2.302 10 5 EEBERO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347911630 465304294 /nfs/dbraw/zinc/30/42/94/465304294.db2.gz LQUJEPWAPPBEQL-CYBMUJFWSA-N 1 0 328.372 2.385 10 5 EEBERO Cc1sc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000045139264 462562231 /nfs/dbraw/zinc/56/22/31/462562231.db2.gz SQEQUOXQBQQKIM-UHFFFAOYSA-N 1 0 332.385 2.322 10 5 EEBERO Cc1c(NC(=O)CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000113268992 462582671 /nfs/dbraw/zinc/58/26/71/462582671.db2.gz DCDOVKBVGMZCTH-ZFWWWQNUSA-N 1 0 346.431 2.400 10 5 EEBERO C[C@H](Cn1cncn1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113330098 462589428 /nfs/dbraw/zinc/58/94/28/462589428.db2.gz VIRULGSRLXHLIX-LLVKDONJSA-N 1 0 344.400 2.488 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000061604886 462592141 /nfs/dbraw/zinc/59/21/41/462592141.db2.gz KGDDLVMULGIYFT-UHFFFAOYSA-N 1 0 332.404 2.094 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])cc1OC ZINC000128443968 462639660 /nfs/dbraw/zinc/63/96/60/462639660.db2.gz LWEMYBGJTOTFJH-LBPRGKRZSA-N 1 0 346.387 2.335 10 5 EEBERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000065297259 462754882 /nfs/dbraw/zinc/75/48/82/462754882.db2.gz OSCCDEWKWRMLPU-INIZCTEOSA-N 1 0 335.404 2.306 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000160422359 463337305 /nfs/dbraw/zinc/33/73/05/463337305.db2.gz HLNMNABBMQUREG-UWVGGRQHSA-N 1 0 327.331 2.428 10 5 EEBERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000105881598 463486174 /nfs/dbraw/zinc/48/61/74/463486174.db2.gz ZDMGAPPEZNACBA-ZDUSSCGKSA-N 1 0 331.376 2.025 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000554218397 468391841 /nfs/dbraw/zinc/39/18/41/468391841.db2.gz OHKAVDZIQPHUGR-HNNXBMFYSA-N 1 0 334.420 2.387 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000285166050 464473875 /nfs/dbraw/zinc/47/38/75/464473875.db2.gz USCXXPBGRBAAKJ-HOTGVXAUSA-N 1 0 328.372 2.052 10 5 EEBERO CC[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246628963 464606490 /nfs/dbraw/zinc/60/64/90/464606490.db2.gz NZDUYHFERLKHPI-KBPBESRZSA-N 1 0 344.415 2.424 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000265919135 464733412 /nfs/dbraw/zinc/73/34/12/464733412.db2.gz BRQBOXUXZWSWRU-UKRRQHHQSA-N 1 0 344.415 2.491 10 5 EEBERO O=C(CC[NH2+][C@H](CO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000182932130 464760710 /nfs/dbraw/zinc/76/07/10/464760710.db2.gz WXIUHTPHNNIJFW-OAHLLOKOSA-N 1 0 329.356 2.247 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000176836072 464862593 /nfs/dbraw/zinc/86/25/93/464862593.db2.gz QKQFMPVWAAWUKJ-HIFRSBDPSA-N 1 0 334.420 2.465 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177235542 464964530 /nfs/dbraw/zinc/96/45/30/464964530.db2.gz BYUXHQGAKGEADP-RHSMWYFYSA-N 1 0 349.431 2.146 10 5 EEBERO O=C(CN1CCO[C@H]2CCCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000253356382 464992823 /nfs/dbraw/zinc/99/28/23/464992823.db2.gz PIHDQDODNBLYLD-WBVHZDCISA-N 1 0 345.399 2.127 10 5 EEBERO [NH3+]CC1(CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593914695 468431747 /nfs/dbraw/zinc/43/17/47/468431747.db2.gz NUPCXABRFYTWRR-UHFFFAOYSA-N 1 0 341.795 2.262 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000343636779 465536156 /nfs/dbraw/zinc/53/61/56/465536156.db2.gz UVALLLUVERHRTG-OCCSQVGLSA-N 1 0 333.388 2.444 10 5 EEBERO CC1(C)CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000330830270 465822245 /nfs/dbraw/zinc/82/22/45/465822245.db2.gz RTXJELSZVWASBR-UHFFFAOYSA-N 1 0 329.303 2.020 10 5 EEBERO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594042119 468469857 /nfs/dbraw/zinc/46/98/57/468469857.db2.gz GPSXCEOSVOKNBY-BHYGNILZSA-N 1 0 338.404 2.272 10 5 EEBERO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCOC1 ZINC000361590629 466123842 /nfs/dbraw/zinc/12/38/42/466123842.db2.gz VHXHVQLFQNNARN-CYBMUJFWSA-N 1 0 337.376 2.043 10 5 EEBERO CO[C@@H](C)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000354369977 466514641 /nfs/dbraw/zinc/51/46/41/466514641.db2.gz XSSXWTUGVJJGDS-ZDUSSCGKSA-N 1 0 335.404 2.229 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000341063215 466553336 /nfs/dbraw/zinc/55/33/36/466553336.db2.gz DVYTVPHPWXPLEU-ZIAGYGMSSA-N 1 0 335.404 2.353 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000347350063 466585498 /nfs/dbraw/zinc/58/54/98/466585498.db2.gz QRLXFVNJVSOYHX-WMZOPIPTSA-N 1 0 343.383 2.470 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2C[NH2+]CCO2)c2ccccc2)c1 ZINC000423561996 466773818 /nfs/dbraw/zinc/77/38/18/466773818.db2.gz KFKDQNYIRRFTPY-ROUUACIJSA-N 1 0 327.384 2.262 10 5 EEBERO Cc1c(CC(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423974385 466933740 /nfs/dbraw/zinc/93/37/40/466933740.db2.gz NIRFVVRHEILFAP-RDJZCZTQSA-N 1 0 331.416 2.436 10 5 EEBERO NC(=O)[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000411975628 466954245 /nfs/dbraw/zinc/95/42/45/466954245.db2.gz HCOUOFISVFKTIK-UONOGXRCSA-N 1 0 331.397 2.357 10 5 EEBERO CN1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000424184303 466999438 /nfs/dbraw/zinc/99/94/38/466999438.db2.gz DBNZUDFRKWMEGO-SNVBAGLBSA-N 1 0 343.330 2.154 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000377528783 467080483 /nfs/dbraw/zinc/08/04/83/467080483.db2.gz VLSJKFLTUMJYMP-GOSISDBHSA-N 1 0 340.383 2.359 10 5 EEBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c2c(c1)COCO2 ZINC000449681296 467688317 /nfs/dbraw/zinc/68/83/17/467688317.db2.gz DMRMEZXHOFPSJY-QGZVFWFLSA-N 1 0 334.372 2.464 10 5 EEBERO COc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000488708847 468098070 /nfs/dbraw/zinc/09/80/70/468098070.db2.gz AVPZVTQQWPHODW-CQSZACIVSA-N 1 0 349.431 2.289 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000589496191 468157037 /nfs/dbraw/zinc/15/70/37/468157037.db2.gz ZDPXOJJEDXXZTE-CYBMUJFWSA-N 1 0 344.371 2.484 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000589861354 468190737 /nfs/dbraw/zinc/19/07/37/468190737.db2.gz DYVBWKSUYNBFAF-RDJZCZTQSA-N 1 0 342.399 2.178 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600408806 468549264 /nfs/dbraw/zinc/54/92/64/468549264.db2.gz AYCXTILVWVOFLE-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO CNc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591892006 468552013 /nfs/dbraw/zinc/55/20/13/468552013.db2.gz OTZHPXGCCKFNPG-KGLIPLIRSA-N 1 0 332.404 2.241 10 5 EEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594451118 468593627 /nfs/dbraw/zinc/59/36/27/468593627.db2.gz KOXOJYILWXFRRR-SNVBAGLBSA-N 1 0 337.323 2.326 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000600691611 468622302 /nfs/dbraw/zinc/62/23/02/468622302.db2.gz KUGBZSUOSZYNBN-AWEZNQCLSA-N 1 0 340.383 2.481 10 5 EEBERO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592167388 468645016 /nfs/dbraw/zinc/64/50/16/468645016.db2.gz OQGZWUMJEUVSOL-KYOSRNDESA-N 1 0 339.417 2.032 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+]CCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000592393045 468689035 /nfs/dbraw/zinc/68/90/35/468689035.db2.gz CMAPMAIAIZVYIR-GFCCVEGCSA-N 1 0 333.392 2.405 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425639 468695658 /nfs/dbraw/zinc/69/56/58/468695658.db2.gz LYJACJAHXDCPHJ-ZFWWWQNUSA-N 1 0 347.415 2.330 10 5 EEBERO COc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000583442192 468698192 /nfs/dbraw/zinc/69/81/92/468698192.db2.gz VGGIZWKQDUPFBJ-INIZCTEOSA-N 1 0 341.367 2.302 10 5 EEBERO C[NH+](C)C[C@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601171407 468769830 /nfs/dbraw/zinc/76/98/30/468769830.db2.gz LDTLHXLNZVHFSY-CQSZACIVSA-N 1 0 331.416 2.427 10 5 EEBERO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601403687 468860137 /nfs/dbraw/zinc/86/01/37/468860137.db2.gz NTGLNVFIVUXKSL-LLVKDONJSA-N 1 0 347.462 2.070 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)c1 ZINC000595689315 468955833 /nfs/dbraw/zinc/95/58/33/468955833.db2.gz PLTVNYDGCJBMKX-DOMZBBRYSA-N 1 0 336.388 2.364 10 5 EEBERO CC(C)C[N@H+](C)CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000593479663 468998421 /nfs/dbraw/zinc/99/84/21/468998421.db2.gz HYEJWTJESCZRNW-UHFFFAOYSA-N 1 0 349.478 2.450 10 5 EEBERO CC[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000601782686 469022748 /nfs/dbraw/zinc/02/27/48/469022748.db2.gz ZVJUEPNKJRSGMB-DOTOQJQBSA-N 1 0 337.420 2.039 10 5 EEBERO NC(=O)c1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])c1 ZINC000595909668 469077055 /nfs/dbraw/zinc/07/70/55/469077055.db2.gz MMUPLZDHIPGIFU-HDICACEKSA-N 1 0 345.399 2.086 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@]2(O)CCOC2)o1 ZINC000593669801 469085870 /nfs/dbraw/zinc/08/58/70/469085870.db2.gz BCPVLHZTUCQYOO-QGZVFWFLSA-N 1 0 332.356 2.486 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000599139324 469133996 /nfs/dbraw/zinc/13/39/96/469133996.db2.gz KDPMUFGYBZPXQG-HNNXBMFYSA-N 1 0 342.399 2.993 10 5 EEBERO CC[N@H+]1[C@H](C)CN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000603146486 469283098 /nfs/dbraw/zinc/28/30/98/469283098.db2.gz UXXZYYFBNBHXOI-BETUJISGSA-N 1 0 335.404 2.087 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537585 469296526 /nfs/dbraw/zinc/29/65/26/469296526.db2.gz IALLQAQKCIAERT-CQSZACIVSA-N 1 0 342.399 2.178 10 5 EEBERO COCCNC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603445511 469395832 /nfs/dbraw/zinc/39/58/32/469395832.db2.gz PPHSZQCMMMZDPT-CYBMUJFWSA-N 1 0 335.404 2.130 10 5 EEBERO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000418994077 485682182 /nfs/dbraw/zinc/68/21/82/485682182.db2.gz HJEZHJXJNZHPFL-OLZOCXBDSA-N 1 0 330.388 2.034 10 5 EEBERO CCN(CC)C(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776578602 577462988 /nfs/dbraw/zinc/46/29/88/577462988.db2.gz GUUWPQILNUOIRW-KRWDZBQOSA-N 1 0 349.431 2.209 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000769900664 577586788 /nfs/dbraw/zinc/58/67/88/577586788.db2.gz QMTIRAVVDJBAAP-IACUBPJLSA-N 1 0 348.321 2.263 10 5 EEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000898169230 691889955 /nfs/dbraw/zinc/88/99/55/691889955.db2.gz GMKMFYYTDDTENH-MIAKERSBSA-N 1 0 329.400 2.408 10 5 EEBERO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001648839969 1176726982 /nfs/dbraw/zinc/72/69/82/1176726982.db2.gz ZSHUBRXMGPLXGD-CQSZACIVSA-N 1 0 349.435 2.055 10 5 EEBERO CCOCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001266602023 1176928262 /nfs/dbraw/zinc/92/82/62/1176928262.db2.gz SKFVABAWWSVIGK-SHTZXODSSA-N 1 0 347.415 2.148 10 5 EEBERO Cc1cncc(CC(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001691412766 1178025810 /nfs/dbraw/zinc/02/58/10/1178025810.db2.gz QVFHHKDYKQRDHF-UHFFFAOYSA-N 1 0 342.399 2.089 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCc1ccncc1 ZINC001267393499 1178964412 /nfs/dbraw/zinc/96/44/12/1178964412.db2.gz IVZGNPADCONJEY-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO C[N@H+](CCc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267599521 1179628427 /nfs/dbraw/zinc/62/84/27/1179628427.db2.gz SFIOWJOXTLYMJL-QZTJIDSGSA-N 1 0 345.443 2.065 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(C(F)F)CC1 ZINC001483733642 1190844755 /nfs/dbraw/zinc/84/47/55/1190844755.db2.gz AQOMTDWNPMXYBX-UHFFFAOYSA-N 1 0 339.342 2.379 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)c1ccon1 ZINC001273048781 1194352675 /nfs/dbraw/zinc/35/26/75/1194352675.db2.gz WNUATVAJSIXYPZ-UHFFFAOYSA-N 1 0 330.344 2.025 10 5 EEBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)c1cc[nH]c1 ZINC001273091152 1194378123 /nfs/dbraw/zinc/37/81/23/1194378123.db2.gz QJSXOAKLRRAQFZ-UHFFFAOYSA-N 1 0 334.401 2.427 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H](C[NH+](C)C)C1 ZINC000865487559 1198242118 /nfs/dbraw/zinc/24/21/18/1198242118.db2.gz GFKKKDMKNWXKLB-SECBINFHSA-N 1 0 335.330 2.125 10 5 EEBERO CC(C)(O)CN1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000866415253 1201512462 /nfs/dbraw/zinc/51/24/62/1201512462.db2.gz YRPDPYYPXOTBMJ-IRXDYDNUSA-N 1 0 347.459 2.351 10 5 EEBERO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCC[N@H+]3CCO)sc2c1 ZINC000828460989 1201971874 /nfs/dbraw/zinc/97/18/74/1201971874.db2.gz HFEGPBAQJBVYPV-GFCCVEGCSA-N 1 0 336.417 2.463 10 5 EEBERO Cc1cccc([C@H](O)C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000931468641 1207388388 /nfs/dbraw/zinc/38/83/88/1207388388.db2.gz AIENRWBIWWTWJO-MSOLQXFVSA-N 1 0 330.384 2.434 10 5 EEBERO [NH3+][C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000903535230 1240833044 /nfs/dbraw/zinc/83/30/44/1240833044.db2.gz NVZQJYTXYZCCIT-OLZOCXBDSA-N 1 0 333.310 2.185 10 5 EEBERO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc2cnccc21 ZINC000858374499 1294099641 /nfs/dbraw/zinc/09/96/41/1294099641.db2.gz NWBZOAVPROFFLB-UONOGXRCSA-N 1 0 328.372 2.418 10 5 EEBERO COc1cc(Cc2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000863663410 1296372420 /nfs/dbraw/zinc/37/24/20/1296372420.db2.gz AONCCDPGDZGVGK-QMTHXVAHSA-N 1 0 336.323 2.197 10 5 EEBERO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000927142053 1297034793 /nfs/dbraw/zinc/03/47/93/1297034793.db2.gz CCSKJDYSJRHJMK-DOMZBBRYSA-N 1 0 327.388 2.248 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)([NH+](C)C)CC1 ZINC000931354891 1297154143 /nfs/dbraw/zinc/15/41/43/1297154143.db2.gz WOURRJHYLUVSCQ-ZDUSSCGKSA-N 1 0 334.420 2.338 10 5 EEBERO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001142649667 1315687645 /nfs/dbraw/zinc/68/76/45/1315687645.db2.gz YLHDFPPXTJCZJA-UHFFFAOYSA-N 1 0 328.372 2.385 10 5 EEBERO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000843501259 1315924691 /nfs/dbraw/zinc/92/46/91/1315924691.db2.gz GTRUYBFETVXBJN-UHFFFAOYSA-N 1 0 344.415 2.060 10 5 EEBERO COCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001264396595 1322689733 /nfs/dbraw/zinc/68/97/33/1322689733.db2.gz GZUJFTXFVVVJSJ-GASCZTMLSA-N 1 0 347.415 2.006 10 5 EEBERO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)ns1 ZINC001492237274 1331105749 /nfs/dbraw/zinc/10/57/49/1331105749.db2.gz VUCXCFOYBYPSSV-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO Cc1nc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001322752082 1333319162 /nfs/dbraw/zinc/31/91/62/1333319162.db2.gz LQWBGPJLBYSJEV-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO Cc1c[nH]c(C(=O)N(C)CCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001327272343 1334256930 /nfs/dbraw/zinc/25/69/30/1334256930.db2.gz ZPFZXWNJTOERFB-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO COc1ccc(CC[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cn1 ZINC001329530528 1334669667 /nfs/dbraw/zinc/66/96/67/1334669667.db2.gz NBFNLXJTBVDWIJ-UHFFFAOYSA-N 1 0 347.371 2.348 10 5 EEBERO NC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC001617104723 1352336351 /nfs/dbraw/zinc/33/63/51/1352336351.db2.gz XGNHGIUEZSDYQF-CQSZACIVSA-N 1 0 341.795 2.008 10 5 EEBERO CC[C@@H]1[C@@H](C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001618531665 1352351032 /nfs/dbraw/zinc/35/10/32/1352351032.db2.gz FPTXHZOHAQHWSN-UONOGXRCSA-N 1 0 335.360 2.050 10 5 EEBERO CC(C)(C)OCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001566835980 1342639972 /nfs/dbraw/zinc/63/99/72/1342639972.db2.gz RWCIGSXKNWCRGH-OKILXGFUSA-N 1 0 335.404 2.147 10 5 EEBERO C[NH+](C)C(C)(C)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001586820765 1348854900 /nfs/dbraw/zinc/85/49/00/1348854900.db2.gz WCAHFTUIMNJYSU-UHFFFAOYSA-N 1 0 332.763 2.040 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001627490105 1352498906 /nfs/dbraw/zinc/49/89/06/1352498906.db2.gz ITVNQZYEEMCYEN-LBPRGKRZSA-N 1 0 328.372 2.154 10 5 EEBERO O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC001630690895 1352571834 /nfs/dbraw/zinc/57/18/34/1352571834.db2.gz UJZRDTWIDNQKLQ-UHFFFAOYSA-N 1 0 349.350 2.480 10 5 EEBERO CC[N@@H+]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C(C)(C)C1 ZINC001639265906 1352696240 /nfs/dbraw/zinc/69/62/40/1352696240.db2.gz DCQMAOLLVPZAFI-OAHLLOKOSA-N 1 0 335.404 2.129 10 5 EEBERO Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)nc2)c(N)c1[N+](=O)[O-] ZINC001648295839 1353422876 /nfs/dbraw/zinc/42/28/76/1353422876.db2.gz OFANIVVTFFFFKD-UHFFFAOYSA-N 1 0 329.360 2.194 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(NCC[NH+]3CCCCC3)c2c1 ZINC001651374007 1354050618 /nfs/dbraw/zinc/05/06/18/1354050618.db2.gz XZFBWXPQBQPEPP-UHFFFAOYSA-N 1 0 330.388 2.471 10 5 EEBERO COc1cccc(C[NH+]2CCC(Nc3nn(C)cc3[N+](=O)[O-])CC2)c1 ZINC001652252508 1354083789 /nfs/dbraw/zinc/08/37/89/1354083789.db2.gz MUZCTHRWBSMVTJ-UHFFFAOYSA-N 1 0 345.403 2.413 10 5 EEBERO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1c1cnccn1 ZINC001655145461 1354166496 /nfs/dbraw/zinc/16/64/96/1354166496.db2.gz XOEURRFOGYSEDL-AWEZNQCLSA-N 1 0 327.388 2.138 10 5 EEBERO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccnn1C ZINC001655380866 1354171610 /nfs/dbraw/zinc/17/16/10/1354171610.db2.gz HHTPJMDSMZWHCC-SNVBAGLBSA-N 1 0 335.339 2.147 10 5 EEBERO O=C(CC[NH2+][C@@H]1CCCn2nccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC001655421711 1354173281 /nfs/dbraw/zinc/17/32/81/1354173281.db2.gz LUKBKOMCOISBFA-CQSZACIVSA-N 1 0 329.360 2.245 10 5 EEBERO Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1C ZINC001670013234 1356261667 /nfs/dbraw/zinc/26/16/67/1356261667.db2.gz NJFJMZBSSFVUFS-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO CCCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC001671921100 1356439535 /nfs/dbraw/zinc/43/95/35/1356439535.db2.gz FRHWHNJMYWTWOQ-UHFFFAOYSA-N 1 0 341.433 2.211 10 5 EEBERO Cn1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000819182444 785451796 /nfs/dbraw/zinc/45/17/96/785451796.db2.gz CUESQIUGCBTJST-GFCCVEGCSA-N 1 0 344.293 2.170 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCn2ccnc21 ZINC000824526372 788201888 /nfs/dbraw/zinc/20/18/88/788201888.db2.gz KHBSAWCFFLLDQG-RISCZKNCSA-N 1 0 329.360 2.243 10 5 EEBERO Cc1c(CC(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000913283064 788759180 /nfs/dbraw/zinc/75/91/80/788759180.db2.gz FHWGIYNSTXKDBZ-HDICACEKSA-N 1 0 331.416 2.246 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913295305 788771868 /nfs/dbraw/zinc/77/18/68/788771868.db2.gz RYPXJXKKFLIYJZ-RPPGEJNMSA-N 1 0 329.400 2.408 10 5 EEBERO C[NH+](C)C1(C)CCN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC000913386517 788834567 /nfs/dbraw/zinc/83/45/67/788834567.db2.gz GGNZOXSRPYOGFS-UHFFFAOYSA-N 1 0 340.811 2.387 10 5 EEBERO C[C@@H]1[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C[N@@H+]1C ZINC000844646602 789291490 /nfs/dbraw/zinc/29/14/90/789291490.db2.gz VKRHSFAFUNHBOO-TUAOUCFPSA-N 1 0 339.367 2.052 10 5 EEBERO O=C1C[C@H](CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1 ZINC000922782293 801871333 /nfs/dbraw/zinc/87/13/33/801871333.db2.gz RLZGAZUKAAMQMP-LBPRGKRZSA-N 1 0 329.356 2.471 10 5 EEBERO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788615071 807607205 /nfs/dbraw/zinc/60/72/05/807607205.db2.gz UVNVUXGHGQAZAX-TZMCWYRMSA-N 1 0 344.419 2.230 10 5 EEBERO Cc1nc(C)c(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001566442502 1125604422 /nfs/dbraw/zinc/60/44/22/1125604422.db2.gz WFUMEWOEGPAYMF-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO C[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C[NH+](C)C ZINC001450359095 1094604483 /nfs/dbraw/zinc/60/44/83/1094604483.db2.gz OTLUKTPYWMKTQT-LLVKDONJSA-N 1 0 330.388 2.258 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC001497566201 1102677812 /nfs/dbraw/zinc/67/78/12/1102677812.db2.gz IAGUPQDPHPYZJZ-OWOJBTEDSA-N 1 0 344.346 2.205 10 5 EEBERO C[C@@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460686879 1110320991 /nfs/dbraw/zinc/32/09/91/1110320991.db2.gz SHYNDWUVBNEIDN-NEPJUHHUSA-N 1 0 329.360 2.243 10 5 EEBERO CC(C)c1ccc2c(c1)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001460971117 1110330597 /nfs/dbraw/zinc/33/05/97/1110330597.db2.gz GUXMUTLWEVNYDG-SFHVURJKSA-N 1 0 344.415 2.334 10 5 EEBERO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001466636327 1110440152 /nfs/dbraw/zinc/44/01/52/1110440152.db2.gz RDEZHPCNGIJKOU-HZMBPMFUSA-N 1 0 329.360 2.427 10 5 EEBERO CCOc1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001469334314 1110489577 /nfs/dbraw/zinc/48/95/77/1110489577.db2.gz WXHWUJTZZZTFSE-LSDHHAIUSA-N 1 0 335.404 2.452 10 5 EEBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc2cnccc2o1 ZINC001473743517 1110579498 /nfs/dbraw/zinc/57/94/98/1110579498.db2.gz GUYGVCWRRLNZME-LLVKDONJSA-N 1 0 328.328 2.249 10 5 EEBERO CCn1ccnc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001569196455 1125158110 /nfs/dbraw/zinc/15/81/10/1125158110.db2.gz HBRCBWWQUBYWFH-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000068346489 215301418 /nfs/dbraw/zinc/30/14/18/215301418.db2.gz HOTBIMCRFKQCIO-UHFFFAOYSA-N 1 0 341.433 2.138 10 5 EEBERO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000069078780 215358204 /nfs/dbraw/zinc/35/82/04/215358204.db2.gz CVNGQRNLFHPSKJ-KRWDZBQOSA-N 1 0 346.431 2.484 10 5 EEBERO C[NH+](C)CCCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037247251 213135984 /nfs/dbraw/zinc/13/59/84/213135984.db2.gz BOUFJNBHJJDWNY-UHFFFAOYSA-N 1 0 330.182 2.039 10 5 EEBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]12 ZINC000186919300 236064433 /nfs/dbraw/zinc/06/44/33/236064433.db2.gz SACAMXGZXWNIFY-BZHVJNSISA-N 1 0 343.305 2.423 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000191703926 237268313 /nfs/dbraw/zinc/26/83/13/237268313.db2.gz VWKBCIXYHWDJBD-QWHCGFSZSA-N 1 0 349.435 2.194 10 5 EEBERO COC[C@](C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000132557842 223342853 /nfs/dbraw/zinc/34/28/53/223342853.db2.gz ZOOJIKBWQLSRKM-INIZCTEOSA-N 1 0 326.393 2.259 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451343717 243083706 /nfs/dbraw/zinc/08/37/06/243083706.db2.gz OVXLSFYVSAFFSI-ZMSDIMECSA-N 1 0 347.415 2.209 10 5 EEBERO C[C@@]12C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451359714 243089425 /nfs/dbraw/zinc/08/94/25/243089425.db2.gz DFSPNVKDTCCJOX-TVEAVKIZSA-N 1 0 344.411 2.479 10 5 EEBERO CCOC(=O)COCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546767 243152792 /nfs/dbraw/zinc/15/27/92/243152792.db2.gz JTCJBVZIJVLANK-HNNXBMFYSA-N 1 0 336.388 2.354 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451884592 243291502 /nfs/dbraw/zinc/29/15/02/243291502.db2.gz FPWRKCPQMKHPOY-MFKMUULPSA-N 1 0 334.294 2.219 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000266578657 248368841 /nfs/dbraw/zinc/36/88/41/248368841.db2.gz HDNGNXJWNIAEIB-ZDUSSCGKSA-N 1 0 327.812 2.137 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000273004606 256256041 /nfs/dbraw/zinc/25/60/41/256256041.db2.gz AGGVFKVXFBKUHC-ZIAGYGMSSA-N 1 0 335.404 2.049 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)CC3CCCC3)C2)nc1 ZINC000190878353 152227729 /nfs/dbraw/zinc/22/77/29/152227729.db2.gz SOJRVJJEUKDSET-GDBMZVCRSA-N 1 0 334.420 2.417 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247335040 160320487 /nfs/dbraw/zinc/32/04/87/160320487.db2.gz IXCYIELKHGXRAL-DZGCQCFKSA-N 1 0 334.420 2.195 10 5 EEBERO C[N@H+](CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000359039082 164043383 /nfs/dbraw/zinc/04/33/83/164043383.db2.gz IMCGVJIYJNIICF-UHFFFAOYSA-N 1 0 329.303 2.020 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000280712305 269385733 /nfs/dbraw/zinc/38/57/33/269385733.db2.gz HVXULBUBJYHQNT-CYBMUJFWSA-N 1 0 347.419 2.298 10 5 EEBERO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC[C@H](O)CC1 ZINC000275840363 274267733 /nfs/dbraw/zinc/26/77/33/274267733.db2.gz JSJFEJLJOBXONX-AULYBMBSSA-N 1 0 339.367 2.298 10 5 EEBERO C[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000277487027 274297594 /nfs/dbraw/zinc/29/75/94/274297594.db2.gz OOSUTOGRKRHGSZ-GWCFXTLKSA-N 1 0 325.340 2.077 10 5 EEBERO CS[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000278539030 274368581 /nfs/dbraw/zinc/36/85/81/274368581.db2.gz UTJWKJYIHRRBHL-HUUCEWRRSA-N 1 0 347.444 2.487 10 5 EEBERO COC(=O)c1cnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000292149804 275384807 /nfs/dbraw/zinc/38/48/07/275384807.db2.gz CELXNXKYLOGANP-LBPRGKRZSA-N 1 0 348.403 2.087 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415660727 313164134 /nfs/dbraw/zinc/16/41/34/313164134.db2.gz PWOZFDJMQGTCFE-TXEJJXNPSA-N 1 0 334.376 2.352 10 5 EEBERO Cc1c(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000418081973 313707395 /nfs/dbraw/zinc/70/73/95/313707395.db2.gz OYONEHQGPKFGEQ-GASCZTMLSA-N 1 0 332.404 2.044 10 5 EEBERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116320605 462752822 /nfs/dbraw/zinc/75/28/22/462752822.db2.gz ZLFNICWNDZLOGB-ZDUSSCGKSA-N 1 0 343.387 2.146 10 5 EEBERO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091407489 462878297 /nfs/dbraw/zinc/87/82/97/462878297.db2.gz BFKVZWMEJHEVGR-LBPRGKRZSA-N 1 0 349.412 2.136 10 5 EEBERO CC(C)[N@H+]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155387233 462885339 /nfs/dbraw/zinc/88/53/39/462885339.db2.gz HFGFKNAEIGUQNX-ZFWWWQNUSA-N 1 0 334.420 2.242 10 5 EEBERO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000157778461 463168491 /nfs/dbraw/zinc/16/84/91/463168491.db2.gz OVNLIMGNLABEIL-LBPRGKRZSA-N 1 0 347.419 2.367 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000079914535 463261048 /nfs/dbraw/zinc/26/10/48/463261048.db2.gz PDMYXZJUIXWBGI-NSHDSACASA-N 1 0 331.376 2.118 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000069774450 463322014 /nfs/dbraw/zinc/32/20/14/463322014.db2.gz SERXPVFYNBGNID-UHFFFAOYSA-N 1 0 343.431 2.388 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000056494567 463403917 /nfs/dbraw/zinc/40/39/17/463403917.db2.gz XUSNZOGMGZRVOU-UHFFFAOYSA-N 1 0 325.434 2.201 10 5 EEBERO C[N@H+](CCCNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccccc1 ZINC000124623984 463445002 /nfs/dbraw/zinc/44/50/02/463445002.db2.gz VOCKUSPAPROZQS-UHFFFAOYSA-N 1 0 343.387 2.023 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000171831721 463933892 /nfs/dbraw/zinc/93/38/92/463933892.db2.gz ABTXREHDVCGGEE-UHFFFAOYSA-N 1 0 346.431 2.408 10 5 EEBERO CCc1n[nH]c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000172084597 463986351 /nfs/dbraw/zinc/98/63/51/463986351.db2.gz HPSOSIWTXXWDBM-UHFFFAOYSA-N 1 0 349.366 2.011 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000246619042 464605895 /nfs/dbraw/zinc/60/58/95/464605895.db2.gz SQCAYJUGXOQSLR-OLZOCXBDSA-N 1 0 333.388 2.302 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000286156869 464822025 /nfs/dbraw/zinc/82/20/25/464822025.db2.gz BVXIAORQUPUDAM-OLZOCXBDSA-N 1 0 334.376 2.124 10 5 EEBERO COC(=O)Cc1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000295746989 464950413 /nfs/dbraw/zinc/95/04/13/464950413.db2.gz ZDPFIECYJXQQTE-YIONKMFJSA-N 1 0 347.415 2.372 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593919203 468433328 /nfs/dbraw/zinc/43/33/28/468433328.db2.gz NWNYLFLWJAKKHL-XYPHTWIQSA-N 1 0 347.415 2.404 10 5 EEBERO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000351919400 465442538 /nfs/dbraw/zinc/44/25/38/465442538.db2.gz PMCPWSOJUAWJRL-SNVBAGLBSA-N 1 0 347.462 2.007 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593919392 468434005 /nfs/dbraw/zinc/43/40/05/468434005.db2.gz PVHYAYFDBYTGNC-OIISXLGYSA-N 1 0 347.415 2.025 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000348221794 465496619 /nfs/dbraw/zinc/49/66/19/465496619.db2.gz VWEQINBOCKXWIR-MRXNPFEDSA-N 1 0 346.431 2.400 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000361010106 465698545 /nfs/dbraw/zinc/69/85/45/465698545.db2.gz BBKXQQJZJNDNGC-RAGMHUQYSA-N 1 0 333.388 2.015 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362452095 465752060 /nfs/dbraw/zinc/75/20/60/465752060.db2.gz UWOYZJOXAHDQIP-BBRMVZONSA-N 1 0 333.388 2.343 10 5 EEBERO CC[N@@H+]1CC[C@@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353446073 465887795 /nfs/dbraw/zinc/88/77/95/465887795.db2.gz ZNHVCRMPXZEQCQ-YOEHRIQHSA-N 1 0 343.431 2.349 10 5 EEBERO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000353558945 465977741 /nfs/dbraw/zinc/97/77/41/465977741.db2.gz FHSBMDGNXPDGQH-OAHLLOKOSA-N 1 0 347.415 2.438 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301685661 466008485 /nfs/dbraw/zinc/00/84/85/466008485.db2.gz LLQOHJCHKXMXBI-NSHDSACASA-N 1 0 334.376 2.212 10 5 EEBERO C[N@H+](CCNc1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccc(F)cc1 ZINC000302009678 466077598 /nfs/dbraw/zinc/07/75/98/466077598.db2.gz VQCXCCFNYFENBN-UHFFFAOYSA-N 1 0 344.350 2.321 10 5 EEBERO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](C)O ZINC000303977227 466243361 /nfs/dbraw/zinc/24/33/61/466243361.db2.gz CPNVHCGGZCCVIX-SNVBAGLBSA-N 1 0 329.784 2.278 10 5 EEBERO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000303979657 466244244 /nfs/dbraw/zinc/24/42/44/466244244.db2.gz DVLLKTJHLQIDBL-SNVBAGLBSA-N 1 0 329.784 2.278 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[NH2+]C2(CO)Cc3ccccc3C2)cc1 ZINC000363643491 466530078 /nfs/dbraw/zinc/53/00/78/466530078.db2.gz QGKQGKSSEYUKHI-UHFFFAOYSA-N 1 0 328.368 2.093 10 5 EEBERO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000423829738 466864373 /nfs/dbraw/zinc/86/43/73/466864373.db2.gz SOMOFJORXNLGDG-OAHLLOKOSA-N 1 0 332.404 2.172 10 5 EEBERO O=c1[nH]c(NC2CC([NH+]3CCCCC3)C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376391662 466909866 /nfs/dbraw/zinc/90/98/66/466909866.db2.gz MVQQYPXCARDDLH-UHFFFAOYSA-N 1 0 343.387 2.672 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423962245 466929347 /nfs/dbraw/zinc/92/93/47/466929347.db2.gz DPPAZMJNRJVTTA-ZBFHGGJFSA-N 1 0 346.431 2.387 10 5 EEBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417994061 467015062 /nfs/dbraw/zinc/01/50/62/467015062.db2.gz QQRYSDCLOUAKHW-GXFFZTMASA-N 1 0 340.811 2.088 10 5 EEBERO COC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000452102411 467323216 /nfs/dbraw/zinc/32/32/16/467323216.db2.gz KVVQTBKONNIPQK-YOEHRIQHSA-N 1 0 347.415 2.449 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397071 467393733 /nfs/dbraw/zinc/39/37/33/467393733.db2.gz MFIRGDSGSRPALX-RHSMWYFYSA-N 1 0 346.431 2.306 10 5 EEBERO Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000415310299 467541018 /nfs/dbraw/zinc/54/10/18/467541018.db2.gz BQJWDOTYHNHGGF-UHFFFAOYSA-N 1 0 348.403 2.010 10 5 EEBERO CCc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590399914 468247007 /nfs/dbraw/zinc/24/70/07/468247007.db2.gz FDHRCRLSCCODFQ-WBVHZDCISA-N 1 0 347.415 2.092 10 5 EEBERO [NH3+]C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC000594525854 468615862 /nfs/dbraw/zinc/61/58/62/468615862.db2.gz XDVGIMODBZGHGW-LBPRGKRZSA-N 1 0 346.309 2.158 10 5 EEBERO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(=O)OC(C)(C)C ZINC000570276764 468616267 /nfs/dbraw/zinc/61/62/67/468616267.db2.gz QWAKFUPAOGCSGY-QWHCGFSZSA-N 1 0 338.408 2.091 10 5 EEBERO CC(C)(C)Oc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594603075 468632704 /nfs/dbraw/zinc/63/27/04/468632704.db2.gz HZHRFXXGCRESER-UONOGXRCSA-N 1 0 335.404 2.027 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963214 468732428 /nfs/dbraw/zinc/73/24/28/468732428.db2.gz HVMSHSWRTAYWLK-DJSGYFEHSA-N 1 0 326.368 2.390 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000594976305 468736002 /nfs/dbraw/zinc/73/60/02/468736002.db2.gz ZFBPBPCJKKVSST-IBGZPJMESA-N 1 0 341.411 2.451 10 5 EEBERO CC(C)[N@@H+]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601110961 468744906 /nfs/dbraw/zinc/74/49/06/468744906.db2.gz MIBOMEBLXLEYCY-UHFFFAOYSA-N 1 0 335.330 2.268 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)c1cccnc1 ZINC000595046819 468749215 /nfs/dbraw/zinc/74/92/15/468749215.db2.gz BIKDSGJSLNNOAI-GXTWGEPZSA-N 1 0 331.372 2.425 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000595046820 468749375 /nfs/dbraw/zinc/74/93/75/468749375.db2.gz BIKDSGJSLNNOAI-JSGCOSHPSA-N 1 0 331.372 2.425 10 5 EEBERO CCOC(=O)c1cnc2c(cccc2[N+](=O)[O-])c1N1CC([NH+](C)C)C1 ZINC000601135619 468755866 /nfs/dbraw/zinc/75/58/66/468755866.db2.gz HYKRKPWGNJKORE-UHFFFAOYSA-N 1 0 344.371 2.070 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000601188286 468775280 /nfs/dbraw/zinc/77/52/80/468775280.db2.gz FYGMPUAZWIVGNB-KRWDZBQOSA-N 1 0 330.388 2.036 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220888 468796635 /nfs/dbraw/zinc/79/66/35/468796635.db2.gz QVYOTJKENIORHQ-CYBMUJFWSA-N 1 0 332.404 2.435 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CCOc2ccc(C[NH3+])cc21 ZINC000601325070 468826956 /nfs/dbraw/zinc/82/69/56/468826956.db2.gz ZZUPVWKQUKCMBS-UHFFFAOYSA-N 1 0 329.356 2.461 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1 ZINC000593026539 468844899 /nfs/dbraw/zinc/84/48/99/468844899.db2.gz CKKVQXLFDRHTAI-CQSZACIVSA-N 1 0 342.351 2.344 10 5 EEBERO Cc1cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601429636 468868636 /nfs/dbraw/zinc/86/86/36/468868636.db2.gz KSSVKQZWMWYDDW-UHFFFAOYSA-N 1 0 349.478 2.363 10 5 EEBERO C[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598540006 468906705 /nfs/dbraw/zinc/90/67/05/468906705.db2.gz LASRHBSFNFDARL-RHSMWYFYSA-N 1 0 349.431 2.268 10 5 EEBERO Cc1c(CC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000598541155 468907533 /nfs/dbraw/zinc/90/75/33/468907533.db2.gz SVCFXKKPYVNIGG-INIZCTEOSA-N 1 0 349.431 2.015 10 5 EEBERO C[NH+]1CC2(C1)CCN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)C2 ZINC000601540042 468911942 /nfs/dbraw/zinc/91/19/42/468911942.db2.gz RZFPKUPGLGJCIH-UHFFFAOYSA-N 1 0 329.400 2.181 10 5 EEBERO O=C(NCc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610478127 468978815 /nfs/dbraw/zinc/97/88/15/468978815.db2.gz MQKGMBCNJWCIPX-UHFFFAOYSA-N 1 0 338.327 2.497 10 5 EEBERO O=C(CC[N@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595750325 468987128 /nfs/dbraw/zinc/98/71/28/468987128.db2.gz LSJLJIMVPSEKDA-KRWDZBQOSA-N 1 0 333.388 2.160 10 5 EEBERO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000610733129 469053922 /nfs/dbraw/zinc/05/39/22/469053922.db2.gz CDXOMJDZEYXXMF-KRWDZBQOSA-N 1 0 347.415 2.312 10 5 EEBERO [NH3+][C@H]1CCc2ccccc2N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595904450 469073964 /nfs/dbraw/zinc/07/39/64/469073964.db2.gz ZZVDOEYCEZFICR-AWEZNQCLSA-N 1 0 340.383 2.313 10 5 EEBERO CN1CCOC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000599003864 469084761 /nfs/dbraw/zinc/08/47/61/469084761.db2.gz LIZFXBZFEVVJTH-OAHLLOKOSA-N 1 0 348.428 2.139 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@]3(O)CCOC3)o2)c1 ZINC000593670247 469087195 /nfs/dbraw/zinc/08/71/95/469087195.db2.gz HAHVGORWTJYMIV-KRWDZBQOSA-N 1 0 332.356 2.486 10 5 EEBERO Nc1cc(N2CCC[N@@H+](C3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587982534 469099299 /nfs/dbraw/zinc/09/92/99/469099299.db2.gz FLHBCGQBUULBNF-UHFFFAOYSA-N 1 0 334.420 2.124 10 5 EEBERO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599075839 469109295 /nfs/dbraw/zinc/10/92/95/469109295.db2.gz AJGPRURAZISSHW-BHYGNILZSA-N 1 0 333.432 2.226 10 5 EEBERO [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593726553 469111582 /nfs/dbraw/zinc/11/15/82/469111582.db2.gz NTQMXUJFFJZKOB-WBVHZDCISA-N 1 0 335.404 2.019 10 5 EEBERO CNC(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599166570 469146032 /nfs/dbraw/zinc/14/60/32/469146032.db2.gz YAVZHILSFRWGFP-CQSZACIVSA-N 1 0 332.404 2.383 10 5 EEBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)CC3(O)CCC3)C2)cc1 ZINC000599433921 469254584 /nfs/dbraw/zinc/25/45/84/469254584.db2.gz MYUAKYAOTYQALL-DOTOQJQBSA-N 1 0 334.416 2.440 10 5 EEBERO COc1ccc(CN2CCC(C)([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000599618100 469311744 /nfs/dbraw/zinc/31/17/44/469311744.db2.gz PORZQQRXNMAKAD-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152724890 528606776 /nfs/dbraw/zinc/60/67/76/528606776.db2.gz WTSZUAPFRDESHG-KBPBESRZSA-N 1 0 337.420 2.365 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174104453 528960812 /nfs/dbraw/zinc/96/08/12/528960812.db2.gz LXVKYIPIMOHROS-UHFFFAOYSA-N 1 0 335.404 2.212 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000771258574 577612654 /nfs/dbraw/zinc/61/26/54/577612654.db2.gz WYYYRVOLJHCQLR-CHWSQXEVSA-N 1 0 329.397 2.224 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752016531 577764613 /nfs/dbraw/zinc/76/46/13/577764613.db2.gz YVIUDOQIJGDCHI-AINHQSCGSA-N 1 0 347.415 2.225 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000756888200 577852515 /nfs/dbraw/zinc/85/25/15/577852515.db2.gz OCRZXTSHMVEACI-WFASDCNBSA-N 1 0 331.376 2.106 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000747620733 577947048 /nfs/dbraw/zinc/94/70/48/577947048.db2.gz KVNPJGMFBUMMKX-UHFFFAOYSA-N 1 0 339.367 2.044 10 5 EEBERO Cc1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c(N)c([N+](=O)[O-])c1 ZINC000749367802 577975131 /nfs/dbraw/zinc/97/51/31/577975131.db2.gz FLMMHIQJFAKLFB-UHFFFAOYSA-N 1 0 338.327 2.318 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000899563350 693795310 /nfs/dbraw/zinc/79/53/10/693795310.db2.gz ADNIZZFKRNSDFR-UHFFFAOYSA-N 1 0 332.404 2.389 10 5 EEBERO Cc1c(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000895344651 684521378 /nfs/dbraw/zinc/52/13/78/684521378.db2.gz NHNYYYMFTCFTKC-OAHLLOKOSA-N 1 0 332.404 2.283 10 5 EEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000898169231 691889968 /nfs/dbraw/zinc/88/99/68/691889968.db2.gz GMKMFYYTDDTENH-VGAQJYNHSA-N 1 0 329.400 2.408 10 5 EEBERO C[C@@H]1[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000925322412 692043129 /nfs/dbraw/zinc/04/31/29/692043129.db2.gz XKWISOGMVUHIFR-PSASIEDQSA-N 1 0 344.318 2.410 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266678470 1177178325 /nfs/dbraw/zinc/17/83/25/1177178325.db2.gz DJRGYQAFNIGAST-ISANGGDFSA-N 1 0 346.412 2.435 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)COC1CCCCC1 ZINC001267393783 1178964177 /nfs/dbraw/zinc/96/41/77/1178964177.db2.gz TUHRVGWDZUTXDP-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1cnc(C)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480978990 1179414804 /nfs/dbraw/zinc/41/48/04/1179414804.db2.gz RZTFPYRJPVNBOB-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC001482993972 1187973299 /nfs/dbraw/zinc/97/32/99/1187973299.db2.gz VRXQIEOELBLVAS-ARJAWSKDSA-N 1 0 344.346 2.205 10 5 EEBERO Cc1nnsc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001483451975 1190484185 /nfs/dbraw/zinc/48/41/85/1190484185.db2.gz OCLFBGFSVSAEBB-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO Cc1n[nH]cc1C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001484751955 1191507851 /nfs/dbraw/zinc/50/78/51/1191507851.db2.gz JJHIQBQPQRELBV-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1cnco1 ZINC001273130044 1194413439 /nfs/dbraw/zinc/41/34/39/1194413439.db2.gz YFSUWUPGLVTHNR-UHFFFAOYSA-N 1 0 330.344 2.025 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868157128 1201754765 /nfs/dbraw/zinc/75/47/65/1201754765.db2.gz ZILDLTDCARBQLR-OCCSQVGLSA-N 1 0 334.376 2.352 10 5 EEBERO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000925405177 1206108006 /nfs/dbraw/zinc/10/80/06/1206108006.db2.gz VJQBASMSZOKWHG-SECBINFHSA-N 1 0 330.291 2.022 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928433556 1206383018 /nfs/dbraw/zinc/38/30/18/1206383018.db2.gz MPNMUTNPGSRDML-GZMMTYOYSA-N 1 0 331.294 2.436 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000931664817 1207436038 /nfs/dbraw/zinc/43/60/38/1207436038.db2.gz VXFVBMULIXTESY-MRVPVSSYSA-N 1 0 344.774 2.136 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801864509 1236314225 /nfs/dbraw/zinc/31/42/25/1236314225.db2.gz MBGMHTXHCTWXCM-UHFFFAOYSA-N 1 0 338.383 2.168 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000902896780 1238956944 /nfs/dbraw/zinc/95/69/44/1238956944.db2.gz CKEGCZPUXKEIPK-UHFFFAOYSA-N 1 0 334.420 2.460 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903485156 1240623429 /nfs/dbraw/zinc/62/34/29/1240623429.db2.gz JSSILJPALHLDJG-OAHLLOKOSA-N 1 0 332.404 2.106 10 5 EEBERO [NH3+][C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000903535229 1240833724 /nfs/dbraw/zinc/83/37/24/1240833724.db2.gz NVZQJYTXYZCCIT-CHWSQXEVSA-N 1 0 333.310 2.185 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CCC(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000803859834 1242104825 /nfs/dbraw/zinc/10/48/25/1242104825.db2.gz XHHRHBXLGNGKFN-AWEZNQCLSA-N 1 0 349.387 2.001 10 5 EEBERO COC(=O)[C@]12C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000483074303 1253824344 /nfs/dbraw/zinc/82/43/44/1253824344.db2.gz JZQFZLQOSFVUSG-GDZNZVCISA-N 1 0 334.372 2.167 10 5 EEBERO COC[C@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000850485072 1277243150 /nfs/dbraw/zinc/24/31/50/1277243150.db2.gz BBIBEBLRFAPOCQ-KRWDZBQOSA-N 1 0 337.420 2.205 10 5 EEBERO CCOC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001198280917 1285065272 /nfs/dbraw/zinc/06/52/72/1285065272.db2.gz YHQCZLPAPDOVGS-ZDUSSCGKSA-N 1 0 349.387 2.117 10 5 EEBERO Cc1ccc(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001123345027 1310531064 /nfs/dbraw/zinc/53/10/64/1310531064.db2.gz DTMFLZFBWXHGDE-HNNXBMFYSA-N 1 0 334.372 2.313 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001124025430 1310808123 /nfs/dbraw/zinc/80/81/23/1310808123.db2.gz MWFZVHHLMKKPRZ-SOUVJXGZSA-N 1 0 347.415 2.129 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839604649 1315219335 /nfs/dbraw/zinc/21/93/35/1315219335.db2.gz FPJKESVTLKQYOA-GWCFXTLKSA-N 1 0 340.221 2.493 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841856931 1315624923 /nfs/dbraw/zinc/62/49/23/1315624923.db2.gz CLWSSHRIMPSSII-LLVKDONJSA-N 1 0 348.737 2.045 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265101084 1322920099 /nfs/dbraw/zinc/92/00/99/1322920099.db2.gz APPRHKUCGQDPQQ-UHFFFAOYSA-N 1 0 349.416 2.088 10 5 EEBERO CC[N@H+](CCCNC(=O)c1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265101647 1322920155 /nfs/dbraw/zinc/92/01/55/1322920155.db2.gz SXNABOUMBNCTKE-UHFFFAOYSA-N 1 0 332.360 2.225 10 5 EEBERO CC(C)[N@H+](C)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001290781522 1328270288 /nfs/dbraw/zinc/27/02/88/1328270288.db2.gz COMDCDKINYWWNA-UHFFFAOYSA-N 1 0 346.790 2.430 10 5 EEBERO CCn1ccnc1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001316821168 1331913300 /nfs/dbraw/zinc/91/33/00/1331913300.db2.gz MPEFRMKFHZZKTR-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccn1C ZINC001320680749 1332934404 /nfs/dbraw/zinc/93/44/04/1332934404.db2.gz PJMRIABNWDVXGQ-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ncoc1C ZINC001320693097 1332936284 /nfs/dbraw/zinc/93/62/84/1332936284.db2.gz WHHIGHZAZNFFJO-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC001300097912 1338050259 /nfs/dbraw/zinc/05/02/59/1338050259.db2.gz RYVUGGCTDDGVLE-CQSZACIVSA-N 1 0 334.420 2.288 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1Cl ZINC001353605244 1338302447 /nfs/dbraw/zinc/30/24/47/1338302447.db2.gz JJLNVOKASHUNFE-LLVKDONJSA-N 1 0 332.809 2.305 10 5 EEBERO COC(=O)c1cnc(NCCCCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC001472888304 1338658793 /nfs/dbraw/zinc/65/87/93/1338658793.db2.gz GZKHEJYMBLGTKO-UHFFFAOYSA-N 1 0 345.359 2.188 10 5 EEBERO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001625530716 1352450817 /nfs/dbraw/zinc/45/08/17/1352450817.db2.gz KJUOZTHPRUUONO-UHFFFAOYSA-N 1 0 349.435 2.347 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001640577957 1352711522 /nfs/dbraw/zinc/71/15/22/1352711522.db2.gz BBFNQKBLBPLPHD-OLZOCXBDSA-N 1 0 337.807 2.201 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001654030144 1354138178 /nfs/dbraw/zinc/13/81/78/1354138178.db2.gz GHRQWRDKYKQHBX-CYBMUJFWSA-N 1 0 325.796 2.343 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccnn1C ZINC001655381053 1354171470 /nfs/dbraw/zinc/17/14/70/1354171470.db2.gz IZHVSKYJWVQCQK-NSHDSACASA-N 1 0 347.375 2.016 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)c1cn[nH]c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001664488769 1355174729 /nfs/dbraw/zinc/17/47/29/1355174729.db2.gz GJSLHPVTMLQRKH-UHFFFAOYSA-N 1 0 345.403 2.348 10 5 EEBERO Cc1cc(C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)cs1 ZINC001664510364 1355180636 /nfs/dbraw/zinc/18/06/36/1355180636.db2.gz GFSVJBFIYQYLHO-HUUCEWRRSA-N 1 0 339.461 2.438 10 5 EEBERO C/C(=C/C(=O)NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785291588 770030319 /nfs/dbraw/zinc/03/03/19/770030319.db2.gz HWTPQRLGEPLDKV-PFONDFGASA-N 1 0 347.415 2.227 10 5 EEBERO Cc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c(N)c([N+](=O)[O-])c1 ZINC000816644921 784164686 /nfs/dbraw/zinc/16/46/86/784164686.db2.gz ZQRCHUZDVPYGIP-UHFFFAOYSA-N 1 0 332.404 2.043 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+][C@]23C[C@H]2COC32CCC2)c2c(c1)COCO2 ZINC000923032628 788619248 /nfs/dbraw/zinc/61/92/48/788619248.db2.gz HOJLOIDCAWXJIB-SUMWQHHRSA-N 1 0 332.356 2.263 10 5 EEBERO CNc1ccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913292612 788769966 /nfs/dbraw/zinc/76/99/66/788769966.db2.gz BFEVEZOJYVJZFK-CALCHBBNSA-N 1 0 332.404 2.050 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536336 789737281 /nfs/dbraw/zinc/73/72/81/789737281.db2.gz KGYZHSRCHQRURN-SUMWQHHRSA-N 1 0 332.404 2.140 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001147111878 791709417 /nfs/dbraw/zinc/70/94/17/791709417.db2.gz RYBWHGBWHZCSGI-JTQLQIEISA-N 1 0 340.811 2.433 10 5 EEBERO C[C@@]12CSC[C@@H]1C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC001176803432 798577747 /nfs/dbraw/zinc/57/77/47/798577747.db2.gz GGOHYXRAUNEVRC-YLQAJVPDSA-N 1 0 347.440 2.385 10 5 EEBERO CC1(C)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC(C)(C)[NH2+]1 ZINC001181421514 800779702 /nfs/dbraw/zinc/77/97/02/800779702.db2.gz CDVRRUZDJHQZAX-UHFFFAOYSA-N 1 0 338.383 2.309 10 5 EEBERO CCOC(=O)CC1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000789388929 807963254 /nfs/dbraw/zinc/96/32/54/807963254.db2.gz RBIIMNCOLLXKSZ-OAHLLOKOSA-N 1 0 336.388 2.484 10 5 EEBERO CCc1nnc(C2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000792400795 809736675 /nfs/dbraw/zinc/73/66/75/809736675.db2.gz UKYFQYAACVZMMS-HNNXBMFYSA-N 1 0 345.403 2.188 10 5 EEBERO COC[C@@](C)([NH3+])CNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804458460 810869084 /nfs/dbraw/zinc/86/90/84/810869084.db2.gz KYWZZSDGZAYOBV-LBPRGKRZSA-N 1 0 332.198 2.441 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001460743776 1110322298 /nfs/dbraw/zinc/32/22/98/1110322298.db2.gz CZYXNNXZCMCXAL-UHFFFAOYSA-N 1 0 339.355 2.239 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001465226861 1110413692 /nfs/dbraw/zinc/41/36/92/1110413692.db2.gz ANTQXKQKLMCNAL-ZDUSSCGKSA-N 1 0 332.404 2.125 10 5 EEBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C12CCC2 ZINC001470564668 1110507835 /nfs/dbraw/zinc/50/78/35/1110507835.db2.gz GPJKSKVGXMVXNJ-HZPDHXFCSA-N 1 0 346.431 2.386 10 5 EEBERO Cc1nc(C(=O)N(C)CCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001502176102 1113628328 /nfs/dbraw/zinc/62/83/28/1113628328.db2.gz JBTHFYADPMAQRC-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC001520867976 1119199157 /nfs/dbraw/zinc/19/91/57/1119199157.db2.gz OPGXNSPOKBOWSP-DETPVDSQSA-N 1 0 349.406 2.468 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000040498957 213324414 /nfs/dbraw/zinc/32/44/14/213324414.db2.gz NMPJBXBINWOOJE-CQSZACIVSA-N 1 0 334.401 2.392 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(CCC[NH3+])n1 ZINC000071696340 215795922 /nfs/dbraw/zinc/79/59/22/215795922.db2.gz MIQJRYQTHLWIKA-UHFFFAOYSA-N 1 0 334.401 2.432 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](CC)CC)CC(C)C)n1 ZINC000427254364 241399869 /nfs/dbraw/zinc/39/98/69/241399869.db2.gz YSCMHZSVKHCEMR-UHFFFAOYSA-N 1 0 339.440 2.251 10 5 EEBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]12 ZINC000248582082 160350804 /nfs/dbraw/zinc/35/08/04/160350804.db2.gz FMIVFUHYWPSUPY-VBNZEHGJSA-N 1 0 344.415 2.004 10 5 EEBERO COc1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000262243775 160447495 /nfs/dbraw/zinc/44/74/95/160447495.db2.gz PHDFDXXVJBQEMA-INIZCTEOSA-N 1 0 328.372 2.145 10 5 EEBERO Cc1c(C(=O)N2CC[NH+]3CCC2CC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000188838540 160130386 /nfs/dbraw/zinc/13/03/86/160130386.db2.gz ARTHKVWUTHMRIX-UHFFFAOYSA-N 1 0 348.359 2.040 10 5 EEBERO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000341932920 161025459 /nfs/dbraw/zinc/02/54/59/161025459.db2.gz CKUMVKANRAWGOV-ZDUSSCGKSA-N 1 0 343.449 2.135 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341974958 161028568 /nfs/dbraw/zinc/02/85/68/161028568.db2.gz IBGBXBNQIREMIF-DYVFJYSZSA-N 1 0 333.388 2.424 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000342038904 161034564 /nfs/dbraw/zinc/03/45/64/161034564.db2.gz ADUKABOMXXKEAQ-AWEZNQCLSA-N 1 0 335.404 2.469 10 5 EEBERO O=C(C[N@H+]1CCCCC[C@@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000342055316 161035959 /nfs/dbraw/zinc/03/59/59/161035959.db2.gz AXBALLWLXIEPGQ-OAHLLOKOSA-N 1 0 347.415 2.111 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)cc1C(F)(F)F ZINC000171506917 227115549 /nfs/dbraw/zinc/11/55/49/227115549.db2.gz NOKCPFPRINOAMO-UHFFFAOYSA-N 1 0 333.310 2.118 10 5 EEBERO Cn1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000340375531 277137216 /nfs/dbraw/zinc/13/72/16/277137216.db2.gz RNHRRXCATXPRNY-CZUORRHYSA-N 1 0 328.372 2.109 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)n1 ZINC000408172254 280398314 /nfs/dbraw/zinc/39/83/14/280398314.db2.gz UPOBTROEUJGOKZ-AWEZNQCLSA-N 1 0 334.420 2.296 10 5 EEBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000415706290 313169840 /nfs/dbraw/zinc/16/98/40/313169840.db2.gz URMHDGDEODXINF-UHFFFAOYSA-N 1 0 343.181 2.231 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418583495 313853194 /nfs/dbraw/zinc/85/31/94/313853194.db2.gz WOZNMOLQLSMPPL-DOMZBBRYSA-N 1 0 332.404 2.267 10 5 EEBERO COc1ccc(CC(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000530305036 317710487 /nfs/dbraw/zinc/71/04/87/317710487.db2.gz AVHBBKRKCIXBLV-UHFFFAOYSA-N 1 0 347.415 2.279 10 5 EEBERO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)c1 ZINC000532142043 317844759 /nfs/dbraw/zinc/84/47/59/317844759.db2.gz HSJVKJDNYRXJER-MRXNPFEDSA-N 1 0 344.371 2.031 10 5 EEBERO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000564808788 319111991 /nfs/dbraw/zinc/11/19/91/319111991.db2.gz CEGFPNQZEUKMSC-HOTGVXAUSA-N 1 0 349.431 2.336 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000565231044 319164907 /nfs/dbraw/zinc/16/49/07/319164907.db2.gz YVQLEUYPAQFVRL-HUUCEWRRSA-N 1 0 348.447 2.066 10 5 EEBERO CCCc1ncc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000567104053 319348411 /nfs/dbraw/zinc/34/84/11/319348411.db2.gz DAPJBLZPQXERMM-GFCCVEGCSA-N 1 0 335.360 2.065 10 5 EEBERO C[C@H]1COCC[N@@H+]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000575327564 320101325 /nfs/dbraw/zinc/10/13/25/320101325.db2.gz YSKSBUAKIGLPPK-LBPRGKRZSA-N 1 0 325.434 2.341 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575915624 320124461 /nfs/dbraw/zinc/12/44/61/320124461.db2.gz DSFIOMDFIUXTOC-INIZCTEOSA-N 1 0 337.807 2.393 10 5 EEBERO COc1cc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000576237927 320154116 /nfs/dbraw/zinc/15/41/16/320154116.db2.gz NVGTVBYGECKMKV-MRXNPFEDSA-N 1 0 347.415 2.340 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000389784965 323543715 /nfs/dbraw/zinc/54/37/15/323543715.db2.gz GCDQXUBLGYFRLS-SNVBAGLBSA-N 1 0 330.182 2.148 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000590568164 468275064 /nfs/dbraw/zinc/27/50/64/468275064.db2.gz XUXPVJHQEIPAOK-UHFFFAOYSA-N 1 0 333.388 2.304 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000066045389 462848427 /nfs/dbraw/zinc/84/84/27/462848427.db2.gz JHNNAHOUJWCTPA-CYBMUJFWSA-N 1 0 332.404 2.396 10 5 EEBERO CC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000105836976 463476870 /nfs/dbraw/zinc/47/68/70/463476870.db2.gz LYENHZZZNAPDCG-OAHLLOKOSA-N 1 0 337.420 2.016 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000269499594 464001921 /nfs/dbraw/zinc/00/19/21/464001921.db2.gz MVCSIJQADLUKFP-VXGBXAGGSA-N 1 0 337.424 2.244 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187931198 464174616 /nfs/dbraw/zinc/17/46/16/464174616.db2.gz BMXYOEKJTKMIPN-YVEFUNNKSA-N 1 0 335.404 2.325 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000189137430 464442285 /nfs/dbraw/zinc/44/22/85/464442285.db2.gz AJPQHXCLINODID-ZDUSSCGKSA-N 1 0 343.449 2.158 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175358097 464531807 /nfs/dbraw/zinc/53/18/07/464531807.db2.gz ABAGLWZFZLGWAH-OAHLLOKOSA-N 1 0 335.404 2.377 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000281656688 464536618 /nfs/dbraw/zinc/53/66/18/464536618.db2.gz NEXLSJFBWOMCLJ-GDBMZVCRSA-N 1 0 349.431 2.471 10 5 EEBERO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246163224 464552844 /nfs/dbraw/zinc/55/28/44/464552844.db2.gz IEWBZBMXSRQKLG-NWDGAFQWSA-N 1 0 336.392 2.085 10 5 EEBERO CCn1cc([C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000190813033 464725410 /nfs/dbraw/zinc/72/54/10/464725410.db2.gz IMPSORIKMNCGBY-QGZVFWFLSA-N 1 0 346.387 2.264 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183223916 464825753 /nfs/dbraw/zinc/82/57/53/464825753.db2.gz SNYSXEUXOLLMDS-MJVIPROJSA-N 1 0 337.376 2.088 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000177005190 464903632 /nfs/dbraw/zinc/90/36/32/464903632.db2.gz NVRKNNWMFGWCIJ-GFCCVEGCSA-N 1 0 336.348 2.059 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000286538582 464953234 /nfs/dbraw/zinc/95/32/34/464953234.db2.gz VOBGFXLCDYKTRH-GXTWGEPZSA-N 1 0 348.403 2.148 10 5 EEBERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268234780 464985944 /nfs/dbraw/zinc/98/59/44/464985944.db2.gz SXLIVRZKYZIJOL-MGPLVRAMSA-N 1 0 328.372 2.289 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000359095891 465376834 /nfs/dbraw/zinc/37/68/34/465376834.db2.gz KOTGWAKHALHMNP-HOCLYGCPSA-N 1 0 347.463 2.069 10 5 EEBERO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362662751 465920840 /nfs/dbraw/zinc/92/08/40/465920840.db2.gz IVAIBBLQMXHCFT-LLVKDONJSA-N 1 0 341.358 2.264 10 5 EEBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1CCO ZINC000302381381 466136286 /nfs/dbraw/zinc/13/62/86/466136286.db2.gz GTABUBUAHPNIRQ-CQSZACIVSA-N 1 0 342.399 2.160 10 5 EEBERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000597193997 468477199 /nfs/dbraw/zinc/47/71/99/468477199.db2.gz XKZDXQARCKTJJR-GOEBONIOSA-N 1 0 346.339 2.275 10 5 EEBERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000372280584 466273258 /nfs/dbraw/zinc/27/32/58/466273258.db2.gz FCMIAEFKXRNDQR-CABCVRRESA-N 1 0 336.388 2.446 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000353978789 466296691 /nfs/dbraw/zinc/29/66/91/466296691.db2.gz NSAFJBVUXWWDLF-CHWSQXEVSA-N 1 0 340.445 2.471 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000357911362 466311862 /nfs/dbraw/zinc/31/18/62/466311862.db2.gz NVYZJYPVAGFXNY-CQSZACIVSA-N 1 0 349.435 2.103 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229896 468502471 /nfs/dbraw/zinc/50/24/71/468502471.db2.gz WWXCAJHCNVYBQP-INIZCTEOSA-N 1 0 347.415 2.497 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000373913134 466965211 /nfs/dbraw/zinc/96/52/11/466965211.db2.gz XJQRPBSHHORPAY-LRDDRELGSA-N 1 0 349.343 2.278 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418610106 467135719 /nfs/dbraw/zinc/13/57/19/467135719.db2.gz FNOJFWDHHZMWOW-MLGOLLRUSA-N 1 0 332.404 2.267 10 5 EEBERO CCN1C[C@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000408042498 467499336 /nfs/dbraw/zinc/49/93/36/467499336.db2.gz RJBGCVBDAQGUGC-OLZOCXBDSA-N 1 0 341.433 2.006 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000589500094 468157112 /nfs/dbraw/zinc/15/71/12/468157112.db2.gz UTTXELDMDJSYSE-UHFFFAOYSA-N 1 0 344.371 2.484 10 5 EEBERO [NH3+]C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000594451650 468593461 /nfs/dbraw/zinc/59/34/61/468593461.db2.gz QEGCFMKURLORAR-MRVPVSSYSA-N 1 0 345.199 2.233 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC000600794970 468659887 /nfs/dbraw/zinc/65/98/87/468659887.db2.gz VLIJCSNFAOFZIU-UHFFFAOYSA-N 1 0 341.411 2.202 10 5 EEBERO COc1ccc(CC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000571038686 468730210 /nfs/dbraw/zinc/73/02/10/468730210.db2.gz BHYFPUDTRIBTHD-GFCCVEGCSA-N 1 0 343.383 2.482 10 5 EEBERO COc1ccc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000594968382 468733301 /nfs/dbraw/zinc/73/33/01/468733301.db2.gz WPWHTJVIISWPES-SOUVJXGZSA-N 1 0 338.404 2.259 10 5 EEBERO Cc1cncc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000595092667 468756789 /nfs/dbraw/zinc/75/67/89/468756789.db2.gz YUWXOGSNRUGCFW-HUUCEWRRSA-N 1 0 330.392 2.206 10 5 EEBERO C[NH+]1CCC(n2cc(Nc3c(Cl)cncc3[N+](=O)[O-])cn2)CC1 ZINC000601227869 468789145 /nfs/dbraw/zinc/78/91/45/468789145.db2.gz YCBGLIRCPQDTFC-UHFFFAOYSA-N 1 0 336.783 2.272 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c1 ZINC000593025773 468843614 /nfs/dbraw/zinc/84/36/14/468843614.db2.gz XXDFJIMXXRXFRH-PXAZEXFGSA-N 1 0 336.388 2.364 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595468725 468864727 /nfs/dbraw/zinc/86/47/27/468864727.db2.gz KXZHLAIFCJWSKF-HNNXBMFYSA-N 1 0 334.420 2.309 10 5 EEBERO CC[C@@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000598536569 468904641 /nfs/dbraw/zinc/90/46/41/468904641.db2.gz SKNBBYGTRHPEHD-UONOGXRCSA-N 1 0 335.404 2.271 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598541529 468907198 /nfs/dbraw/zinc/90/71/98/468907198.db2.gz VCUPMCALURGIRT-HNNXBMFYSA-N 1 0 335.404 2.086 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000598541845 468907414 /nfs/dbraw/zinc/90/74/14/468907414.db2.gz WICZPDSBOYDEGB-CQSZACIVSA-N 1 0 335.404 2.086 10 5 EEBERO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)OC(C)(C)C ZINC000584716633 468920362 /nfs/dbraw/zinc/92/03/62/468920362.db2.gz HLVXJZLZVDCGMO-OCCSQVGLSA-N 1 0 338.408 2.091 10 5 EEBERO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@@H+]1CCO ZINC000593480021 468998404 /nfs/dbraw/zinc/99/84/04/468998404.db2.gz SZDBXOMCKTXMCH-OLZOCXBDSA-N 1 0 330.388 2.034 10 5 EEBERO CC(C)NC(=O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595848157 469041606 /nfs/dbraw/zinc/04/16/06/469041606.db2.gz AUWDSNCIBUYESU-AWEZNQCLSA-N 1 0 335.404 2.210 10 5 EEBERO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587268101 469087948 /nfs/dbraw/zinc/08/79/48/469087948.db2.gz QLZLGSXCPCGZHR-CHWSQXEVSA-N 1 0 336.436 2.449 10 5 EEBERO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595936440 469092166 /nfs/dbraw/zinc/09/21/66/469092166.db2.gz YZLCHMNBBIFJRV-UHFFFAOYSA-N 1 0 342.355 2.253 10 5 EEBERO [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593726550 469111337 /nfs/dbraw/zinc/11/13/37/469111337.db2.gz NTQMXUJFFJZKOB-DOTOQJQBSA-N 1 0 335.404 2.019 10 5 EEBERO CC1(C)[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(F)F ZINC000596066986 469137483 /nfs/dbraw/zinc/13/74/83/469137483.db2.gz XDVOBLWEYOSFQR-ZWNOBZJWSA-N 1 0 330.331 2.215 10 5 EEBERO O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1cccc2c1CC[NH2+]C2 ZINC000596071313 469140346 /nfs/dbraw/zinc/14/03/46/469140346.db2.gz KWZDVABPDNGOQR-UHFFFAOYSA-N 1 0 342.380 2.060 10 5 EEBERO NC(=O)c1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000596120184 469164622 /nfs/dbraw/zinc/16/46/22/469164622.db2.gz IOHKKDPSIKMWDV-AWEZNQCLSA-N 1 0 332.404 2.148 10 5 EEBERO CC(C)c1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000588814718 469167497 /nfs/dbraw/zinc/16/74/97/469167497.db2.gz XUJPVNFSRDNVHJ-GOSISDBHSA-N 1 0 349.431 2.247 10 5 EEBERO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596266610 469227320 /nfs/dbraw/zinc/22/73/20/469227320.db2.gz VBCTVKNPVZRSMI-SNVBAGLBSA-N 1 0 333.310 2.116 10 5 EEBERO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CCCOCC3)CC2)c(Cl)c1 ZINC000596268943 469227546 /nfs/dbraw/zinc/22/75/46/469227546.db2.gz OBOGVWXIDYCRNG-UHFFFAOYSA-N 1 0 340.811 2.334 10 5 EEBERO CC1(N2CCOCC2)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000599618628 469311950 /nfs/dbraw/zinc/31/19/50/469311950.db2.gz QGZVGZDUVGNJBZ-UHFFFAOYSA-N 1 0 349.431 2.160 10 5 EEBERO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000531634893 485538902 /nfs/dbraw/zinc/53/89/02/485538902.db2.gz JLSLWCNXDDPZNB-HNNXBMFYSA-N 1 0 342.399 2.280 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414943327 534097695 /nfs/dbraw/zinc/09/76/95/534097695.db2.gz FHJSJXCRAFMNJN-LDYMZIIASA-N 1 0 344.318 2.316 10 5 EEBERO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537135 529198806 /nfs/dbraw/zinc/19/88/06/529198806.db2.gz HPADXRZUOHXETO-WMLDXEAASA-N 1 0 348.447 2.188 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751503027 577754409 /nfs/dbraw/zinc/75/44/09/577754409.db2.gz WKOPZKABZRUNDI-CCEZHUSRSA-N 1 0 347.415 2.179 10 5 EEBERO COc1cccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898832295 693480775 /nfs/dbraw/zinc/48/07/75/693480775.db2.gz LQWASAPKJPWPCC-ZIAGYGMSSA-N 1 0 333.388 2.206 10 5 EEBERO CCc1ocnc1C(=O)NCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001266383511 1176454619 /nfs/dbraw/zinc/45/46/19/1176454619.db2.gz PTIOIGKATUETQV-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C2CC2)no1 ZINC001266851131 1177552530 /nfs/dbraw/zinc/55/25/30/1177552530.db2.gz ZEVQDFCYFIEHAB-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO COc1ccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC001481294176 1180932330 /nfs/dbraw/zinc/93/23/30/1180932330.db2.gz RKMFINBRWLIDHU-UHFFFAOYSA-N 1 0 339.373 2.120 10 5 EEBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1ncc[nH]1 ZINC001268036444 1181376919 /nfs/dbraw/zinc/37/69/19/1181376919.db2.gz VSWYJBLIHLFAMZ-UHFFFAOYSA-N 1 0 349.416 2.212 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc(C(F)F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001670781410 1181703422 /nfs/dbraw/zinc/70/34/22/1181703422.db2.gz JHAZGIUGBHSJAT-CHWSQXEVSA-N 1 0 339.342 2.028 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc(CF)cc2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482218595 1184269668 /nfs/dbraw/zinc/26/96/68/1184269668.db2.gz RSNMCABOVQZMMV-HZPDHXFCSA-N 1 0 349.406 2.340 10 5 EEBERO Cc1nc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001691525852 1186240740 /nfs/dbraw/zinc/24/07/40/1186240740.db2.gz TWLPLDYCXIUYOV-UHFFFAOYSA-N 1 0 332.360 2.061 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1(CF)CCC1 ZINC001483060071 1188353937 /nfs/dbraw/zinc/35/39/37/1188353937.db2.gz CMDBQQBEGINYNS-ARJAWSKDSA-N 1 0 335.379 2.497 10 5 EEBERO C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071803 1198041464 /nfs/dbraw/zinc/04/14/64/1198041464.db2.gz XWLJDSZMYISFDE-GHMZBOCLSA-N 1 0 330.381 2.209 10 5 EEBERO O=C(CC[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)Nc1ccccc1[N+](=O)[O-] ZINC000872245858 1198108880 /nfs/dbraw/zinc/10/88/80/1198108880.db2.gz FRJKRMQIDFEOQZ-HEHGZKQESA-N 1 0 333.388 2.471 10 5 EEBERO CC(C)OC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000872247392 1198110643 /nfs/dbraw/zinc/11/06/43/1198110643.db2.gz SIDADPZOGGSCJV-HNNXBMFYSA-N 1 0 338.404 2.272 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(CC1)CC[NH+](C)CC2 ZINC000866054537 1201415920 /nfs/dbraw/zinc/41/59/20/1201415920.db2.gz FIIVAYWRNITGKN-UHFFFAOYSA-N 1 0 346.431 2.267 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000866207887 1201465517 /nfs/dbraw/zinc/46/55/17/1201465517.db2.gz YKLPCBFQUMGLPU-CABZTGNLSA-N 1 0 341.209 2.283 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000866447356 1201519898 /nfs/dbraw/zinc/51/98/98/1201519898.db2.gz IFTWSZNKJCJDBJ-XESDREOXSA-N 1 0 345.399 2.325 10 5 EEBERO CN(C(=O)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866705092 1201585163 /nfs/dbraw/zinc/58/51/63/1201585163.db2.gz SNMYXDSORMIXSI-SFHVURJKSA-N 1 0 348.447 2.255 10 5 EEBERO O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000866721531 1201589965 /nfs/dbraw/zinc/58/99/65/1201589965.db2.gz WJVAZCACVRAEPV-WCQYABFASA-N 1 0 338.795 2.013 10 5 EEBERO C[C@@]([NH3+])(C(=O)N[C@@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867943123 1201710992 /nfs/dbraw/zinc/71/09/92/1201710992.db2.gz MSIFNEABEPRAGG-APWZRJJASA-N 1 0 339.395 2.442 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136935354 1202471250 /nfs/dbraw/zinc/47/12/50/1202471250.db2.gz PSDBRLJPHIVMSL-GFCCVEGCSA-N 1 0 341.795 2.089 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cccn1C ZINC001275875782 1205573086 /nfs/dbraw/zinc/57/30/86/1205573086.db2.gz KWOKOOBTSORNSM-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncs1 ZINC001275891814 1205577487 /nfs/dbraw/zinc/57/74/87/1205577487.db2.gz XHBGSBIHVFOCMN-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO C[C@@H]1[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928448786 1206386024 /nfs/dbraw/zinc/38/60/24/1206386024.db2.gz OQBNEEVCBRMRDQ-ZYHUDNBSSA-N 1 0 341.795 2.226 10 5 EEBERO O=C(NCC[NH2+]C(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000900836211 1234886524 /nfs/dbraw/zinc/88/65/24/1234886524.db2.gz PIEGXBALTFOEKL-IAGOWNOFSA-N 1 0 339.395 2.147 10 5 EEBERO C[NH2+]CCN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000903570547 1240981584 /nfs/dbraw/zinc/98/15/84/1240981584.db2.gz PHTQZTVTGXPKEX-UHFFFAOYSA-N 1 0 328.800 2.117 10 5 EEBERO CC1(C)OC[C@@H](CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000851723857 1277730253 /nfs/dbraw/zinc/73/02/53/1277730253.db2.gz LVNZUKDUEHYKRB-CQSZACIVSA-N 1 0 335.404 2.258 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC(O)(C[NH+]3CCCCC3)CC2)cs1 ZINC001198613093 1285251790 /nfs/dbraw/zinc/25/17/90/1285251790.db2.gz VSJPVISFVLREOE-UHFFFAOYSA-N 1 0 339.461 2.469 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926942439 1296965099 /nfs/dbraw/zinc/96/50/99/1296965099.db2.gz OSZDTMVXSYNEGW-OEUWWYETSA-N 1 0 345.399 2.493 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC([NH2+]C3CCOCC3)C2)c2ccncc21 ZINC001164131682 1321298973 /nfs/dbraw/zinc/29/89/73/1321298973.db2.gz WSQUDKXOUQJSEV-UHFFFAOYSA-N 1 0 328.372 2.100 10 5 EEBERO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262155601 1322249626 /nfs/dbraw/zinc/24/96/26/1322249626.db2.gz PVIHJYFPFGDNGT-WBVHZDCISA-N 1 0 329.400 2.496 10 5 EEBERO CC(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001263826037 1322529812 /nfs/dbraw/zinc/52/98/12/1322529812.db2.gz PPDBHCLGXGTWNK-OTVXOJSOSA-N 1 0 335.404 2.004 10 5 EEBERO CN(CCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C ZINC001279456940 1323907565 /nfs/dbraw/zinc/90/75/65/1323907565.db2.gz BWLMUKAKBOIJBJ-UHFFFAOYSA-N 1 0 337.420 2.206 10 5 EEBERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001290984487 1328298947 /nfs/dbraw/zinc/29/89/47/1328298947.db2.gz UHFTZOXVOZOHMW-CHWSQXEVSA-N 1 0 349.435 2.060 10 5 EEBERO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001291908981 1328345713 /nfs/dbraw/zinc/34/57/13/1328345713.db2.gz LCFBCZMUUOYKEC-UHFFFAOYSA-N 1 0 334.420 2.371 10 5 EEBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1ccc2ccccc2c1 ZINC001492250269 1331112626 /nfs/dbraw/zinc/11/26/26/1331112626.db2.gz SAJKOXHVTKKIAF-QZTJIDSGSA-N 1 0 341.411 2.096 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001317074523 1332070061 /nfs/dbraw/zinc/07/00/61/1332070061.db2.gz FBIVCQJRPDUSPF-QNQPZSPESA-N 1 0 340.383 2.373 10 5 EEBERO CCc1cc(C(=O)NCC[N@@H+](CC)Cc2cccc([N+](=O)[O-])c2)no1 ZINC001317491301 1332263759 /nfs/dbraw/zinc/26/37/59/1332263759.db2.gz TZJNWNJORGNKGT-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccsn1 ZINC001322559442 1333283113 /nfs/dbraw/zinc/28/31/13/1333283113.db2.gz WHKMEDKYHBJZLR-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CC(=O)NCCCCC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001328491696 1334467161 /nfs/dbraw/zinc/46/71/61/1334467161.db2.gz HFZUFKRVWMRICR-UHFFFAOYSA-N 1 0 348.447 2.019 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)c3cc([N+](=O)[O-])ccc3F)cn2)CC1 ZINC001330653802 1334882505 /nfs/dbraw/zinc/88/25/05/1334882505.db2.gz RJTRFSFIIQKYFC-UHFFFAOYSA-N 1 0 347.350 2.449 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001344683169 1337410169 /nfs/dbraw/zinc/41/01/69/1337410169.db2.gz CCRFNOCNOLJKNF-CYZMBNFOSA-N 1 0 334.376 2.065 10 5 EEBERO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001542174360 1342327989 /nfs/dbraw/zinc/32/79/89/1342327989.db2.gz HOMZEKXJYBRUKW-AWEZNQCLSA-N 1 0 335.404 2.340 10 5 EEBERO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001557728133 1342453854 /nfs/dbraw/zinc/45/38/54/1342453854.db2.gz UNLYIIBAMPUHAG-INIZCTEOSA-N 1 0 343.358 2.391 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001558910852 1342492471 /nfs/dbraw/zinc/49/24/71/1342492471.db2.gz ZZYWNQMDGGVPCA-HNNXBMFYSA-N 1 0 340.383 2.475 10 5 EEBERO Cc1nc(C(=O)N(C)CCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c[nH]1 ZINC001570192324 1343030067 /nfs/dbraw/zinc/03/00/67/1343030067.db2.gz CUZYNMPPFWHHQR-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001635643552 1352649898 /nfs/dbraw/zinc/64/98/98/1352649898.db2.gz CSZNANVPVQGYQJ-OAHLLOKOSA-N 1 0 334.420 2.243 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001648297144 1353423002 /nfs/dbraw/zinc/42/30/02/1353423002.db2.gz QDFYCHKLBRACQG-NSHDSACASA-N 1 0 343.786 2.482 10 5 EEBERO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001648391277 1353428288 /nfs/dbraw/zinc/42/82/88/1353428288.db2.gz DMAFQIXZMRKOJT-NSHDSACASA-N 1 0 339.392 2.335 10 5 EEBERO NC(=O)CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC001648567524 1353434999 /nfs/dbraw/zinc/43/49/99/1353434999.db2.gz MBIIDHMVRURYNR-UHFFFAOYSA-N 1 0 331.376 2.139 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCn2nccc21 ZINC001654610786 1354153606 /nfs/dbraw/zinc/15/36/06/1354153606.db2.gz JSIIXTLRZXHFBT-ZDUSSCGKSA-N 1 0 329.360 2.163 10 5 EEBERO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001654653401 1354154675 /nfs/dbraw/zinc/15/46/75/1354154675.db2.gz NFLOXKFELQSSKP-GFCCVEGCSA-N 1 0 335.379 2.362 10 5 EEBERO CC(C)(C)OCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001661413044 1354636013 /nfs/dbraw/zinc/63/60/13/1354636013.db2.gz CVJQAYHXNSKVFT-HDJSIYSDSA-N 1 0 335.404 2.147 10 5 EEBERO Cc1ncc(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001668740353 1355995705 /nfs/dbraw/zinc/99/57/05/1355995705.db2.gz ULTOCVQVSXLJNO-IHWYPQMZSA-N 1 0 346.412 2.436 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)c1cc[nH]c1 ZINC001673168777 1356651551 /nfs/dbraw/zinc/65/15/51/1356651551.db2.gz VNVXEHGXTZVTCH-UHFFFAOYSA-N 1 0 328.372 2.365 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc[nH]1 ZINC001673491698 1356695846 /nfs/dbraw/zinc/69/58/46/1356695846.db2.gz PHLKQGNIQKQSMN-UHFFFAOYSA-N 1 0 344.415 2.446 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(Cc2ccc3ccccc3c2)CC1 ZINC001686989706 1358528633 /nfs/dbraw/zinc/52/86/33/1358528633.db2.gz UQTXAZSKLGHTAG-QZTJIDSGSA-N 1 0 339.395 2.149 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H](O)C(F)(F)F)CC2)cc1 ZINC000809743637 783352864 /nfs/dbraw/zinc/35/28/64/783352864.db2.gz YDNUTXWHFXKYAN-AWEZNQCLSA-N 1 0 347.337 2.467 10 5 EEBERO Cn1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000819184359 785452780 /nfs/dbraw/zinc/45/27/80/785452780.db2.gz YNRNZDPEQVOEHP-LBPRGKRZSA-N 1 0 344.293 2.170 10 5 EEBERO C[C@@H](C(=O)N1CC[NH+](CCCCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000913693439 794120056 /nfs/dbraw/zinc/12/00/56/794120056.db2.gz BCMGLKQSOAVPCS-OAHLLOKOSA-N 1 0 349.431 2.005 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001171937896 796820044 /nfs/dbraw/zinc/82/00/44/796820044.db2.gz ZERSDDOJXUJPLU-RFQIPJPRSA-N 1 0 333.388 2.015 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001176629234 798509053 /nfs/dbraw/zinc/50/90/53/798509053.db2.gz JBBDOAGLKRYJGL-IYOUNJFTSA-N 1 0 346.431 2.114 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)n1 ZINC001462141217 1110352984 /nfs/dbraw/zinc/35/29/84/1110352984.db2.gz DASODCSRSBWVFU-UHFFFAOYSA-N 1 0 344.375 2.014 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)cc1[N+](=O)[O-] ZINC001469334311 1110489529 /nfs/dbraw/zinc/48/95/29/1110489529.db2.gz WXHWUJTZZZTFSE-CABCVRRESA-N 1 0 335.404 2.452 10 5 EEBERO CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001533468357 1123179956 /nfs/dbraw/zinc/17/99/56/1123179956.db2.gz JGBUJRXVWRLJAJ-BRWVUGGUSA-N 1 0 331.416 2.021 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1snnc1C ZINC001568723251 1124739706 /nfs/dbraw/zinc/73/97/06/1124739706.db2.gz HOJZAWROAZXJRD-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1CC(F)(F)F ZINC000095430742 218373350 /nfs/dbraw/zinc/37/33/50/218373350.db2.gz CJUYKFZMBHVROJ-GFCCVEGCSA-N 1 0 331.294 2.238 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000054456281 292139990 /nfs/dbraw/zinc/13/99/90/292139990.db2.gz OMMXARQFCNAVNF-CYBMUJFWSA-N 1 0 334.401 2.392 10 5 EEBERO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])cnc2C)nc1 ZINC000127781993 292330614 /nfs/dbraw/zinc/33/06/14/292330614.db2.gz JYQFUZAJCIYPKK-UHFFFAOYSA-N 1 0 329.360 2.234 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000188823303 160129612 /nfs/dbraw/zinc/12/96/12/160129612.db2.gz LHVYMINNTYDFCW-LBPRGKRZSA-N 1 0 335.429 2.382 10 5 EEBERO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342432374 161065116 /nfs/dbraw/zinc/06/51/16/161065116.db2.gz FQVQNMYCRIBNAA-ZUZCIYMTSA-N 1 0 341.358 2.214 10 5 EEBERO COC(C)(C)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000346446268 161372710 /nfs/dbraw/zinc/37/27/10/161372710.db2.gz PNBCTOLRAGJAAY-UHFFFAOYSA-N 1 0 335.404 2.168 10 5 EEBERO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000123245554 222242789 /nfs/dbraw/zinc/24/27/89/222242789.db2.gz VMTYZGMQAICSJY-YOEHRIQHSA-N 1 0 333.432 2.226 10 5 EEBERO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@]1(C)C[NH3+] ZINC000423977649 274331167 /nfs/dbraw/zinc/33/11/67/274331167.db2.gz WOAUPIUCEZRBGY-PIGZYNQJSA-N 1 0 328.372 2.200 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000113248339 274374609 /nfs/dbraw/zinc/37/46/09/274374609.db2.gz JGBBYEADUVPEGH-DGCLKSJQSA-N 1 0 330.388 2.152 10 5 EEBERO Cc1nn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000289479738 275119847 /nfs/dbraw/zinc/11/98/47/275119847.db2.gz XUUGZKOXUQXYLK-INIZCTEOSA-N 1 0 330.388 2.391 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245461735 276170223 /nfs/dbraw/zinc/17/02/23/276170223.db2.gz FZOCDFCGBBRDTF-ZIAGYGMSSA-N 1 0 334.420 2.338 10 5 EEBERO CC(C)C1([NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000293167875 293142241 /nfs/dbraw/zinc/14/22/41/293142241.db2.gz WADNRHIKCNKHPC-UHFFFAOYSA-N 1 0 346.431 2.022 10 5 EEBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415583469 313148534 /nfs/dbraw/zinc/14/85/34/313148534.db2.gz RDPSXXWCELMASE-LBPRGKRZSA-N 1 0 328.319 2.330 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417717826 313574954 /nfs/dbraw/zinc/57/49/54/313574954.db2.gz LCOPJILGAITHAL-NVXWUHKLSA-N 1 0 346.431 2.311 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418587957 313854321 /nfs/dbraw/zinc/85/43/21/313854321.db2.gz HIVHPQPMVKDJMS-WBMJQRKESA-N 1 0 332.404 2.267 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000566100412 319244527 /nfs/dbraw/zinc/24/45/27/319244527.db2.gz PSOIKNHHTLUPSD-ZFWWWQNUSA-N 1 0 346.431 2.265 10 5 EEBERO CC(C)C[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000572841425 319882427 /nfs/dbraw/zinc/88/24/27/319882427.db2.gz VCSDJEOZNDKNTA-LLVKDONJSA-N 1 0 334.332 2.462 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576867329 320210980 /nfs/dbraw/zinc/21/09/80/320210980.db2.gz ZXMCYWIXWDKUQQ-AWEZNQCLSA-N 1 0 336.436 2.373 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000580432252 324062025 /nfs/dbraw/zinc/06/20/25/324062025.db2.gz RKHLWQXTRPJVCI-UHFFFAOYSA-N 1 0 335.389 2.109 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339228665 465152324 /nfs/dbraw/zinc/15/23/24/465152324.db2.gz ACTRHOGWPWMJNI-UHFFFAOYSA-N 1 0 328.372 2.324 10 5 EEBERO CC(C)(C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000520796503 468271411 /nfs/dbraw/zinc/27/14/11/468271411.db2.gz OVBMIJXVHHESON-GOSISDBHSA-N 1 0 331.416 2.475 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600346 468283877 /nfs/dbraw/zinc/28/38/77/468283877.db2.gz OEVAIJGUPFXMHV-NSHDSACASA-N 1 0 330.392 2.544 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116749151 462771091 /nfs/dbraw/zinc/77/10/91/462771091.db2.gz WEDXQLTVAVJUSW-LBPRGKRZSA-N 1 0 341.795 2.180 10 5 EEBERO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000066327314 462874994 /nfs/dbraw/zinc/87/49/94/462874994.db2.gz HWEFSUXTNJRJOI-UHFFFAOYSA-N 1 0 347.462 2.199 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000156502723 463032425 /nfs/dbraw/zinc/03/24/25/463032425.db2.gz CVKMQGQRNBZVST-CQSZACIVSA-N 1 0 334.420 2.311 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000070005504 463364320 /nfs/dbraw/zinc/36/43/20/463364320.db2.gz HSDDHTXPQRHETP-HZPDHXFCSA-N 1 0 347.415 2.209 10 5 EEBERO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000283072749 463754133 /nfs/dbraw/zinc/75/41/33/463754133.db2.gz GYMYMBAYMLSERO-HNNXBMFYSA-N 1 0 342.403 2.065 10 5 EEBERO [NH3+]CCN(CCc1ccccc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000261752775 463847923 /nfs/dbraw/zinc/84/79/23/463847923.db2.gz PINCTXNMJWXZAI-UHFFFAOYSA-N 1 0 343.383 2.004 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180100527 464241014 /nfs/dbraw/zinc/24/10/14/464241014.db2.gz DKVSKOOARFVRGG-IAGOWNOFSA-N 1 0 340.383 2.473 10 5 EEBERO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000281310627 464408649 /nfs/dbraw/zinc/40/86/49/464408649.db2.gz IBPXGRDTEBPAAM-DZUCGIPZSA-N 1 0 349.431 2.018 10 5 EEBERO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000281998718 464662919 /nfs/dbraw/zinc/66/29/19/464662919.db2.gz IQWDQJJUPZOIPG-SUMWQHHRSA-N 1 0 335.404 2.406 10 5 EEBERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295105811 464707888 /nfs/dbraw/zinc/70/78/88/464707888.db2.gz XTRDIDLBMLJBSA-GHMZBOCLSA-N 1 0 339.367 2.297 10 5 EEBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC000248516615 464760463 /nfs/dbraw/zinc/76/04/63/464760463.db2.gz HCWQYHJPYJEJAT-DOTOQJQBSA-N 1 0 341.367 2.476 10 5 EEBERO Cc1csc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000184282914 464960625 /nfs/dbraw/zinc/96/06/25/464960625.db2.gz XTZGVJQWBAHWAS-VXGBXAGGSA-N 1 0 337.401 2.450 10 5 EEBERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268234785 464985043 /nfs/dbraw/zinc/98/50/43/464985043.db2.gz SXLIVRZKYZIJOL-QFYYESIMSA-N 1 0 328.372 2.289 10 5 EEBERO C[NH+](C)C1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC000362464158 465761947 /nfs/dbraw/zinc/76/19/47/465761947.db2.gz JIYGBPUKFBOSAX-UHFFFAOYSA-N 1 0 341.358 2.406 10 5 EEBERO C[C@H]1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000331111932 465938684 /nfs/dbraw/zinc/93/86/84/465938684.db2.gz ISUMFUKIWAMERR-UWVGGRQHSA-N 1 0 327.331 2.014 10 5 EEBERO CC[NH+]1CCN([C@@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000301612870 465996973 /nfs/dbraw/zinc/99/69/73/465996973.db2.gz GKNXRQYSKFVBAJ-LBPRGKRZSA-N 1 0 340.399 2.180 10 5 EEBERO CC(C)C[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[NH+](C)C ZINC000301675231 466007189 /nfs/dbraw/zinc/00/71/89/466007189.db2.gz HGZOSQDTHJHNQA-LLVKDONJSA-N 1 0 336.392 2.314 10 5 EEBERO Cc1cc([N+](=O)[O-])cnc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000301860748 466048414 /nfs/dbraw/zinc/04/84/14/466048414.db2.gz SZJKIZBHBSUEBQ-XYPWUTKMSA-N 1 0 345.447 2.045 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000594040164 468469713 /nfs/dbraw/zinc/46/97/13/468469713.db2.gz DWHRHFNREPSOIE-NVXWUHKLSA-N 1 0 347.415 2.421 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000347350059 466585160 /nfs/dbraw/zinc/58/51/60/466585160.db2.gz QRLXFVNJVSOYHX-FUHWJXTLSA-N 1 0 343.383 2.470 10 5 EEBERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411571325 466845544 /nfs/dbraw/zinc/84/55/44/466845544.db2.gz QAPVKYJYSUCNDJ-CXAGYDPISA-N 1 0 335.404 2.406 10 5 EEBERO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCOC1 ZINC000411743358 466890509 /nfs/dbraw/zinc/89/05/09/466890509.db2.gz IKQIWAABGPSJLB-ZDUSSCGKSA-N 1 0 337.376 2.043 10 5 EEBERO [NH3+][C@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000418430962 467109286 /nfs/dbraw/zinc/10/92/86/467109286.db2.gz QBNPYSRMXADBEM-QGZVFWFLSA-N 1 0 340.383 2.363 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377799418 467142469 /nfs/dbraw/zinc/14/24/69/467142469.db2.gz UTLARKYIOVJVGV-AAEUAGOBSA-N 1 0 343.387 2.182 10 5 EEBERO O=C(C[NH2+][C@H]1CC2CCC1CC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000433055418 467287735 /nfs/dbraw/zinc/28/77/35/467287735.db2.gz XZQAGYRHAVLIPS-MCIGGMRASA-N 1 0 347.371 2.430 10 5 EEBERO CC(C)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000452372134 467362932 /nfs/dbraw/zinc/36/29/32/467362932.db2.gz IQLLFVRFZTYMGM-HNNXBMFYSA-N 1 0 349.431 2.295 10 5 EEBERO COc1cc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])cc1F ZINC000450593930 467876499 /nfs/dbraw/zinc/87/64/99/467876499.db2.gz JPXKXWWALIZEPS-LLVKDONJSA-N 1 0 327.356 2.001 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000488717749 468098529 /nfs/dbraw/zinc/09/85/29/468098529.db2.gz LGNQJWDURRDTIF-NXEZZACHSA-N 1 0 346.330 2.408 10 5 EEBERO COCC[N@@H+]1CCC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591911523 468564557 /nfs/dbraw/zinc/56/45/57/468564557.db2.gz IMBYYGBSCXCKQA-CQSZACIVSA-N 1 0 334.420 2.391 10 5 EEBERO CC1=C[C@@H](C)CN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000558891998 468719762 /nfs/dbraw/zinc/71/97/62/468719762.db2.gz GCDKYEOFNAVQPZ-IAQYHMDHSA-N 1 0 329.356 2.125 10 5 EEBERO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCOC1 ZINC000594950154 468728777 /nfs/dbraw/zinc/72/87/77/468728777.db2.gz JKPAQXJYHFYYMB-QMTHXVAHSA-N 1 0 346.330 2.337 10 5 EEBERO CC[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601107847 468743873 /nfs/dbraw/zinc/74/38/73/468743873.db2.gz BHEZFMOKWOCSQW-SECBINFHSA-N 1 0 335.330 2.491 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1nccn1C ZINC000595110002 468761446 /nfs/dbraw/zinc/76/14/46/468761446.db2.gz YPCLNBDELWWGKA-NEPJUHHUSA-N 1 0 331.376 2.396 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000598155907 468779590 /nfs/dbraw/zinc/77/95/90/468779590.db2.gz BFZOHYXEPMHATH-UHFFFAOYSA-N 1 0 331.294 2.247 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119128 468877740 /nfs/dbraw/zinc/87/77/40/468877740.db2.gz UTEQTHDDBHSTKE-RISCZKNCSA-N 1 0 328.315 2.066 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601464586 468885927 /nfs/dbraw/zinc/88/59/27/468885927.db2.gz REEOFBMGIXUROJ-JTQLQIEISA-N 1 0 347.462 2.116 10 5 EEBERO CC(C)[C@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598571178 468918311 /nfs/dbraw/zinc/91/83/11/468918311.db2.gz HMDNNRXKLPVCJA-LLVKDONJSA-N 1 0 343.330 2.266 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595630757 468930997 /nfs/dbraw/zinc/93/09/97/468930997.db2.gz BXLIGMFAZRKGCK-ZNMIVQPWSA-N 1 0 338.404 2.129 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000598720803 468973467 /nfs/dbraw/zinc/97/34/67/468973467.db2.gz SJIJSHOCIVSTRL-UHFFFAOYSA-N 1 0 331.294 2.436 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601737077 468995488 /nfs/dbraw/zinc/99/54/88/468995488.db2.gz CJYHHMYYKRSOAK-UHFFFAOYSA-N 1 0 349.435 2.361 10 5 EEBERO C[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000601774771 469018408 /nfs/dbraw/zinc/01/84/08/469018408.db2.gz DMXYSKFNWPDFNK-RDTXWAMCSA-N 1 0 349.431 2.183 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595865701 469052688 /nfs/dbraw/zinc/05/26/88/469052688.db2.gz JDMQKAVYFTVVAT-HNNXBMFYSA-N 1 0 339.823 2.279 10 5 EEBERO CC(C)(O)C[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599038122 469095235 /nfs/dbraw/zinc/09/52/35/469095235.db2.gz NUKGGCXINGWOJK-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO CC[C@@H](C[NH+]1CCCC1)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000587979779 469097378 /nfs/dbraw/zinc/09/73/78/469097378.db2.gz LFFFXASOJPDGSQ-LBPRGKRZSA-N 1 0 336.392 2.371 10 5 EEBERO C[NH2+]C[C@@H](C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595981520 469106772 /nfs/dbraw/zinc/10/67/72/469106772.db2.gz DNPFRWNEEZELPW-QWHCGFSZSA-N 1 0 334.420 2.169 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000593739079 469118183 /nfs/dbraw/zinc/11/81/83/469118183.db2.gz VIMNNQQLCOXJBA-MRRJBJDNSA-N 1 0 335.404 2.019 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCOCC1 ZINC000563198192 469194908 /nfs/dbraw/zinc/19/49/08/469194908.db2.gz HACGMCNPQVKIQQ-UHFFFAOYSA-N 1 0 337.376 2.043 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552619 469291319 /nfs/dbraw/zinc/29/13/19/469291319.db2.gz GFHVDYJRRUZJST-MJBXVCDLSA-N 1 0 338.429 2.304 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000612121949 469399912 /nfs/dbraw/zinc/39/99/12/469399912.db2.gz YIBUAXZZNBIBBU-NWDGAFQWSA-N 1 0 346.330 2.038 10 5 EEBERO CN(C(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000531634894 485539173 /nfs/dbraw/zinc/53/91/73/485539173.db2.gz JLSLWCNXDDPZNB-OAHLLOKOSA-N 1 0 342.399 2.280 10 5 EEBERO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000178678440 529199424 /nfs/dbraw/zinc/19/94/24/529199424.db2.gz ADMJWRGCZIWHCJ-SMDDNHRTSA-N 1 0 329.360 2.453 10 5 EEBERO Cc1nscc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266269804 1176068753 /nfs/dbraw/zinc/06/87/53/1176068753.db2.gz FNAUUPSIZCFUHX-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCOCC1 ZINC001266579823 1176882801 /nfs/dbraw/zinc/88/28/01/1176882801.db2.gz ZOZGZQCLVQTDHE-UHFFFAOYSA-N 1 0 347.415 2.102 10 5 EEBERO CC(C)(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691436896 1178525626 /nfs/dbraw/zinc/52/56/26/1178525626.db2.gz MMOWYBISPCFQIE-GASCZTMLSA-N 1 0 349.431 2.394 10 5 EEBERO Cc1cc(CC(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001268785285 1183702617 /nfs/dbraw/zinc/70/26/17/1183702617.db2.gz XWIFJONWQYFULD-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO COCCC(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001671393544 1193553501 /nfs/dbraw/zinc/55/35/01/1193553501.db2.gz INMNHDBRQYXHOF-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO C[NH+](C)C1(C)CCC(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000871359453 1197699352 /nfs/dbraw/zinc/69/93/52/1197699352.db2.gz HHBXBGOUSFSANC-UHFFFAOYSA-N 1 0 349.387 2.316 10 5 EEBERO COCC[NH+]1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872028785 1198031157 /nfs/dbraw/zinc/03/11/57/1198031157.db2.gz SUJHBNLROVLWEQ-LBPRGKRZSA-N 1 0 325.384 2.495 10 5 EEBERO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872075097 1198040155 /nfs/dbraw/zinc/04/01/55/1198040155.db2.gz OAJNPYCPCGGOJD-OLZOCXBDSA-N 1 0 325.384 2.231 10 5 EEBERO COc1ccc([N+](=O)[O-])c(N(C)CC[NH+]2CC3(C2)CCOCC3)c1 ZINC000866255658 1201477004 /nfs/dbraw/zinc/47/70/04/1201477004.db2.gz AQMOUMUTKZUHOV-UHFFFAOYSA-N 1 0 335.404 2.152 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866721815 1201589973 /nfs/dbraw/zinc/58/99/73/1201589973.db2.gz PXISOCVURBCGBS-HOCLYGCPSA-N 1 0 332.404 2.058 10 5 EEBERO Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000868806811 1201884125 /nfs/dbraw/zinc/88/41/25/1201884125.db2.gz ZLTJLNQYZSBEDM-OAHLLOKOSA-N 1 0 334.420 2.434 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C[C@]2(C)C1 ZINC000887935306 1204512288 /nfs/dbraw/zinc/51/22/88/1204512288.db2.gz QLCMOTDFUPFEKV-PXAZEXFGSA-N 1 0 329.356 2.365 10 5 EEBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928104881 1206345325 /nfs/dbraw/zinc/34/53/25/1206345325.db2.gz XKNDATOBSCDZGY-RQTGCPSESA-N 1 0 347.440 2.304 10 5 EEBERO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929429444 1206473969 /nfs/dbraw/zinc/47/39/69/1206473969.db2.gz JPCPGBTVAZZLFA-ZIAGYGMSSA-N 1 0 327.425 2.375 10 5 EEBERO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850486748 1277244959 /nfs/dbraw/zinc/24/49/59/1277244959.db2.gz VCZHPCRNEDYAPL-LLVKDONJSA-N 1 0 341.433 2.043 10 5 EEBERO CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000855360308 1293188388 /nfs/dbraw/zinc/18/83/88/1293188388.db2.gz KFOFJXCCCPZGMS-CYBMUJFWSA-N 1 0 327.331 2.239 10 5 EEBERO C[C@@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000857764753 1293910555 /nfs/dbraw/zinc/91/05/55/1293910555.db2.gz ZUFWXEQAWPFILJ-MNOVXSKESA-N 1 0 343.330 2.071 10 5 EEBERO [NH3+]CCC1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857765964 1293911576 /nfs/dbraw/zinc/91/15/76/1293911576.db2.gz VSSHXIUEUIYNRW-UHFFFAOYSA-N 1 0 343.330 2.154 10 5 EEBERO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000861351328 1295360611 /nfs/dbraw/zinc/36/06/11/1295360611.db2.gz IDQTVPFWZDYESC-PBHICJAKSA-N 1 0 336.388 2.098 10 5 EEBERO Cn1nnc2c1C[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000927142057 1297034961 /nfs/dbraw/zinc/03/49/61/1297034961.db2.gz CCSKJDYSJRHJMK-SWLSCSKDSA-N 1 0 327.388 2.248 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001150119504 1316166064 /nfs/dbraw/zinc/16/60/64/1316166064.db2.gz DVVHMQQUXLMVET-WCQYABFASA-N 1 0 333.388 2.206 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC001156835623 1318235653 /nfs/dbraw/zinc/23/56/53/1318235653.db2.gz ABRBEFJCSUVOQE-AWEZNQCLSA-N 1 0 335.404 2.454 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)sc1C ZINC001265113207 1322926122 /nfs/dbraw/zinc/92/61/22/1322926122.db2.gz FALHFPIOOKZNBJ-HUUCEWRRSA-N 1 0 339.461 2.358 10 5 EEBERO Cc1nc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001265942810 1323505900 /nfs/dbraw/zinc/50/59/00/1323505900.db2.gz UHVOSFRUKVVFII-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO CCCc1n[nH]c(C(=O)NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001302630744 1331330960 /nfs/dbraw/zinc/33/09/60/1331330960.db2.gz JNULAQYKBJCMCF-UHFFFAOYSA-N 1 0 337.424 2.263 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC001349775579 1337647116 /nfs/dbraw/zinc/64/71/16/1337647116.db2.gz DALRGJZMTUGVEM-CYZMBNFOSA-N 1 0 328.372 2.146 10 5 EEBERO Cc1cccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001565863957 1342570732 /nfs/dbraw/zinc/57/07/32/1342570732.db2.gz CIABGQDOELUDDR-BRSBDYLESA-N 1 0 345.443 2.077 10 5 EEBERO Cc1[nH]nc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)c1[N+](=O)[O-] ZINC001583413582 1344898878 /nfs/dbraw/zinc/89/88/78/1344898878.db2.gz YQOAWYNRGQNYKQ-UHFFFAOYSA-N 1 0 338.327 2.439 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC001608184678 1351643034 /nfs/dbraw/zinc/64/30/34/1351643034.db2.gz UUGRSXXAISTNFJ-AWEZNQCLSA-N 1 0 330.388 2.171 10 5 EEBERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626583372 1352467612 /nfs/dbraw/zinc/46/76/12/1352467612.db2.gz WQBCYYSTLGPLCP-JHJVBQTASA-N 1 0 334.420 2.273 10 5 EEBERO CC[C@@H](NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001679150676 1357629323 /nfs/dbraw/zinc/62/93/23/1357629323.db2.gz GSIPIXCXNZSMCQ-NUEKZKHPSA-N 1 0 332.404 2.391 10 5 EEBERO Cc1ccc(C[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)cc1[N+](=O)[O-] ZINC001648526531 1353433149 /nfs/dbraw/zinc/43/31/49/1353433149.db2.gz WCIHIYZWRMNELK-HDICACEKSA-N 1 0 334.416 2.250 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001652009268 1354073004 /nfs/dbraw/zinc/07/30/04/1354073004.db2.gz CWFWJLQKCMXAAG-UHFFFAOYSA-N 1 0 329.360 2.028 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)nc1 ZINC001670046123 1356265912 /nfs/dbraw/zinc/26/59/12/1356265912.db2.gz DDBMOEUVJMLQBF-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CCC[N@H+](CC)CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000925337258 775158914 /nfs/dbraw/zinc/15/89/14/775158914.db2.gz WCKFPEFIXCXCQO-QGZVFWFLSA-N 1 0 348.403 2.094 10 5 EEBERO Cn1nc2c(c1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000819325442 785508410 /nfs/dbraw/zinc/50/84/10/785508410.db2.gz COHCZEKGKDBXJY-QGZVFWFLSA-N 1 0 330.388 2.030 10 5 EEBERO C[C@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000912382169 788134195 /nfs/dbraw/zinc/13/41/95/788134195.db2.gz IYZXVOOEHRPFGI-SFHVURJKSA-N 1 0 346.431 2.387 10 5 EEBERO C[C@]1(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[NH+]2CCC1CC2 ZINC000912384279 788136023 /nfs/dbraw/zinc/13/60/23/788136023.db2.gz VBPUXRCLBDSZNO-KRWDZBQOSA-N 1 0 328.372 2.290 10 5 EEBERO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501107 788208610 /nfs/dbraw/zinc/20/86/10/788208610.db2.gz DBFGJOHCMSGMRK-GJZGRUSLSA-N 1 0 325.796 2.153 10 5 EEBERO COc1cccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913278146 788755399 /nfs/dbraw/zinc/75/53/99/788755399.db2.gz BKBTULGCMUNZOT-CALCHBBNSA-N 1 0 333.388 2.017 10 5 EEBERO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000712331861 803194141 /nfs/dbraw/zinc/19/41/41/803194141.db2.gz ATUOCLMCIMNKLA-VIFPVBQESA-N 1 0 342.193 2.181 10 5 EEBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)C(F)F ZINC001495114631 1100769996 /nfs/dbraw/zinc/76/99/96/1100769996.db2.gz CLLZWMHZUCJSTR-UHFFFAOYSA-N 1 0 327.331 2.379 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn(C)c1C ZINC001497451609 1102508896 /nfs/dbraw/zinc/50/88/96/1102508896.db2.gz QUOKSYZBSZSSTD-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO Cc1cccc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001497531866 1102629065 /nfs/dbraw/zinc/62/90/65/1102629065.db2.gz ZCJOXGHPTCOAHM-SNAWJCMRSA-N 1 0 340.383 2.374 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001447750883 1103232663 /nfs/dbraw/zinc/23/26/63/1103232663.db2.gz WEMUEBRVVRUSME-DZGCQCFKSA-N 1 0 347.415 2.305 10 5 EEBERO Cc1c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001470338722 1110505035 /nfs/dbraw/zinc/50/50/35/1110505035.db2.gz LMWGHZYKKCMHGO-LBPRGKRZSA-N 1 0 348.359 2.040 10 5 EEBERO CC(C)[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001470707350 1110510475 /nfs/dbraw/zinc/51/04/75/1110510475.db2.gz WEFSSZQXGNLQIY-UHFFFAOYSA-N 1 0 334.420 2.417 10 5 EEBERO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC001473213350 1110572908 /nfs/dbraw/zinc/57/29/08/1110572908.db2.gz NCEHHHSWXAUOAU-INIZCTEOSA-N 1 0 332.404 2.408 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccncc1F ZINC001499189240 1112169946 /nfs/dbraw/zinc/16/99/46/1112169946.db2.gz RJNUUDTXYQNKAB-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO C[C@@H]1CCC[C@](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)([NH+](C)C)C1 ZINC001542224126 1124111851 /nfs/dbraw/zinc/11/18/51/1124111851.db2.gz YDWZFKHSHMLOKG-OTYXRUKQSA-N 1 0 343.815 2.212 10 5 EEBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001543363977 1124128854 /nfs/dbraw/zinc/12/88/54/1124128854.db2.gz MMRATMWLBIJVQC-NSHDSACASA-N 1 0 340.811 2.435 10 5 EEBERO CCc1nc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001569196739 1125158475 /nfs/dbraw/zinc/15/84/75/1125158475.db2.gz AHJOINSEYIPJTL-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CC(C)[NH2+][C@@H](COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440740 214056999 /nfs/dbraw/zinc/05/69/99/214056999.db2.gz SDWFIIWDLPDNOM-JTQLQIEISA-N 1 0 336.175 2.132 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175052197 529407572 /nfs/dbraw/zinc/40/75/72/529407572.db2.gz DQPBMCCIIKVNIK-ZIAGYGMSSA-N 1 0 332.404 2.092 10 5 EEBERO CNC(=O)c1ccc(NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000128133339 222917339 /nfs/dbraw/zinc/91/73/39/222917339.db2.gz CAQZEUGRBMVXNY-UHFFFAOYSA-N 1 0 334.420 2.487 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(I)cc1[N+](=O)[O-] ZINC000261548302 291282120 /nfs/dbraw/zinc/28/21/20/291282120.db2.gz JJBSLPMADIUUKM-CBAPKCEASA-N 1 0 347.156 2.125 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000191781622 239295483 /nfs/dbraw/zinc/29/54/83/239295483.db2.gz AUHYVXMAMFPUKT-UHFFFAOYSA-N 1 0 337.424 2.005 10 5 EEBERO Cc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447724894 242309296 /nfs/dbraw/zinc/30/92/96/242309296.db2.gz ZBRZRVFBYQXJGP-GFCCVEGCSA-N 1 0 345.359 2.264 10 5 EEBERO C[C@@]12C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451366085 243092845 /nfs/dbraw/zinc/09/28/45/243092845.db2.gz XSPKZMZFLSNYPV-KZYWPTACSA-N 1 0 344.411 2.479 10 5 EEBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000494671361 247000712 /nfs/dbraw/zinc/00/07/12/247000712.db2.gz VIZAWBFUULASKP-UWVGGRQHSA-N 1 0 333.348 2.004 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266204599 248171528 /nfs/dbraw/zinc/17/15/28/248171528.db2.gz KJBSUKVMZSRNCZ-LLVKDONJSA-N 1 0 345.346 2.089 10 5 EEBERO COCC[N@H+]1[C@H](C)CN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000131891117 285064720 /nfs/dbraw/zinc/06/47/20/285064720.db2.gz ZUQLKUPBWIVMKE-TXEJJXNPSA-N 1 0 341.383 2.288 10 5 EEBERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174104816 533137556 /nfs/dbraw/zinc/13/75/56/533137556.db2.gz GRDDVEOAGGPYDK-CJNGLKHVSA-N 1 0 330.388 2.312 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000271250251 256225088 /nfs/dbraw/zinc/22/50/88/256225088.db2.gz KGTDKPOXAMVIKL-UHFFFAOYSA-N 1 0 349.431 2.314 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000119050507 221232181 /nfs/dbraw/zinc/23/21/81/221232181.db2.gz KFGCKZSJYUQPCD-NSHDSACASA-N 1 0 342.193 2.181 10 5 EEBERO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273030829 256258759 /nfs/dbraw/zinc/25/87/59/256258759.db2.gz UYJRRWULNOZOOR-VXGBXAGGSA-N 1 0 347.419 2.154 10 5 EEBERO Cn1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000173313176 152158932 /nfs/dbraw/zinc/15/89/32/152158932.db2.gz RAGMKLYQAPNZHK-MRXNPFEDSA-N 1 0 343.387 2.494 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000110086002 159356864 /nfs/dbraw/zinc/35/68/64/159356864.db2.gz KEYRSFCUBXHKGW-CYBMUJFWSA-N 1 0 336.392 2.136 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000119310718 159376548 /nfs/dbraw/zinc/37/65/48/159376548.db2.gz VFDRWSLZKRNIRW-IINYFYTJSA-N 1 0 349.416 2.192 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000246916328 160301094 /nfs/dbraw/zinc/30/10/94/160301094.db2.gz ISBLTMBQNZZLBJ-KBPBESRZSA-N 1 0 332.404 2.092 10 5 EEBERO CCNC(=O)C[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000342052865 161035560 /nfs/dbraw/zinc/03/55/60/161035560.db2.gz VWSUHUYNQWJUCX-GFCCVEGCSA-N 1 0 345.403 2.352 10 5 EEBERO CSCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(=O)N(C)C ZINC000342291477 161054123 /nfs/dbraw/zinc/05/41/23/161054123.db2.gz MOYARCVCQIWZKN-AWEZNQCLSA-N 1 0 325.434 2.203 10 5 EEBERO COc1cccc(CC[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000344982018 161261418 /nfs/dbraw/zinc/26/14/18/161261418.db2.gz YSZXFDRYUZYNOC-UHFFFAOYSA-N 1 0 347.371 2.348 10 5 EEBERO CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352905311 162338980 /nfs/dbraw/zinc/33/89/80/162338980.db2.gz BHUPCRNRGFTQHQ-CQSZACIVSA-N 1 0 329.784 2.183 10 5 EEBERO O=C(NCC[NH+]1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359048956 164045763 /nfs/dbraw/zinc/04/57/63/164045763.db2.gz BITAYUGQQBIMBL-UHFFFAOYSA-N 1 0 329.303 2.022 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)C2O ZINC000369378763 166248444 /nfs/dbraw/zinc/24/84/44/166248444.db2.gz UVZZLKPRLPXDIV-ABUXHAGHSA-N 1 0 333.388 2.015 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123163288 222227544 /nfs/dbraw/zinc/22/75/44/222227544.db2.gz SPZZYOWRJROEQC-ZYHUDNBSSA-N 1 0 336.348 2.058 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000123362345 222264060 /nfs/dbraw/zinc/26/40/60/222264060.db2.gz BUCSMBBKBNYHIZ-STQMWFEESA-N 1 0 334.420 2.216 10 5 EEBERO CC[C@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000286128961 274839909 /nfs/dbraw/zinc/83/99/09/274839909.db2.gz MUTAGPYCDHOOMI-GFCCVEGCSA-N 1 0 336.392 2.371 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585971 275130068 /nfs/dbraw/zinc/13/00/68/275130068.db2.gz ZGSBWUSTWGUSKD-RYUDHWBXSA-N 1 0 331.376 2.255 10 5 EEBERO COC(=O)c1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000291169953 275277752 /nfs/dbraw/zinc/27/77/52/275277752.db2.gz JPFSTHJAHRVGBG-UHFFFAOYSA-N 1 0 331.372 2.361 10 5 EEBERO C[NH2+][C@H](C)CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261836323 277041412 /nfs/dbraw/zinc/04/14/12/277041412.db2.gz VUBUCGUDZXWYNK-CHWSQXEVSA-N 1 0 334.420 2.169 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000246619050 281198287 /nfs/dbraw/zinc/19/82/87/281198287.db2.gz SQCAYJUGXOQSLR-STQMWFEESA-N 1 0 333.388 2.302 10 5 EEBERO C[NH+](C)CCn1nccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294009676 293349168 /nfs/dbraw/zinc/34/91/68/293349168.db2.gz IOICIZLUYQLTEL-UHFFFAOYSA-N 1 0 342.359 2.087 10 5 EEBERO O=C1COc2cc([N+](=O)[O-])c(NCC[NH+]3CCCCCC3)cc2N1 ZINC000301109757 294823293 /nfs/dbraw/zinc/82/32/93/294823293.db2.gz VQMQADIZMWZTHU-UHFFFAOYSA-N 1 0 334.376 2.214 10 5 EEBERO O=[N+]([O-])c1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000397713208 312447059 /nfs/dbraw/zinc/44/70/59/312447059.db2.gz ZVBAKIBEETZILE-UHFFFAOYSA-N 1 0 342.399 2.429 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414333052 312999930 /nfs/dbraw/zinc/99/99/30/312999930.db2.gz HFDOUKKNUTVCDO-IPYPFGDCSA-N 1 0 335.404 2.453 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953926 313114552 /nfs/dbraw/zinc/11/45/52/313114552.db2.gz SBFWCQKGVWCWCF-CBAPKCEASA-N 1 0 330.291 2.150 10 5 EEBERO Cc1c(NC(=O)N(C)[C@H](C)C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415660748 313163891 /nfs/dbraw/zinc/16/38/91/313163891.db2.gz PYSXSTULRLQESA-SSDOTTSWSA-N 1 0 345.197 2.477 10 5 EEBERO CC[C@H]([NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415704060 313169103 /nfs/dbraw/zinc/16/91/03/313169103.db2.gz RKUHHPXEHGLUBI-QMMMGPOBSA-N 1 0 331.170 2.216 10 5 EEBERO [NH3+]C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415707412 313170324 /nfs/dbraw/zinc/17/03/24/313170324.db2.gz VZDOKLHMZNZZPA-QMMMGPOBSA-N 1 0 343.181 2.170 10 5 EEBERO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417762043 313588678 /nfs/dbraw/zinc/58/86/78/313588678.db2.gz HZUUWDUTJQEYHD-YIONKMFJSA-N 1 0 332.404 2.062 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418437578 313813506 /nfs/dbraw/zinc/81/35/06/313813506.db2.gz YLEUIUVUAURGPE-KRWDZBQOSA-N 1 0 342.399 2.479 10 5 EEBERO COc1ccc(OCCN(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000441380301 315183519 /nfs/dbraw/zinc/18/35/19/315183519.db2.gz FREJESIIDPDOSP-AWEZNQCLSA-N 1 0 335.404 2.151 10 5 EEBERO CCOc1cc(N2CC[NH+](C[C@H](C)COC)CC2)ccc1[N+](=O)[O-] ZINC000526992586 317137342 /nfs/dbraw/zinc/13/73/42/317137342.db2.gz DGJDRXCAIMAJOC-AWEZNQCLSA-N 1 0 337.420 2.398 10 5 EEBERO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531624248 317809098 /nfs/dbraw/zinc/80/90/98/317809098.db2.gz BGYZGCZPCNEBIQ-UHFFFAOYSA-N 1 0 330.344 2.312 10 5 EEBERO NC(=O)[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000567426172 319378264 /nfs/dbraw/zinc/37/82/64/319378264.db2.gz JFXDRXXODLLXFC-QGZVFWFLSA-N 1 0 338.367 2.435 10 5 EEBERO Cn1cc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000590599177 468283386 /nfs/dbraw/zinc/28/33/86/468283386.db2.gz FADFCPQDMQBRRA-KRWDZBQOSA-N 1 0 344.415 2.364 10 5 EEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131414288 462809071 /nfs/dbraw/zinc/80/90/71/462809071.db2.gz AXIGEHUKZAZTMD-SUMWQHHRSA-N 1 0 346.431 2.070 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069529150 463269242 /nfs/dbraw/zinc/26/92/42/463269242.db2.gz MZVLKCNDQJBSJJ-GFCCVEGCSA-N 1 0 341.795 2.089 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1)OCO2 ZINC000071792576 463426008 /nfs/dbraw/zinc/42/60/08/463426008.db2.gz IDCQWMZYABMKHN-JTQLQIEISA-N 1 0 347.293 2.050 10 5 EEBERO CC(C)[NH+](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000151398152 463524452 /nfs/dbraw/zinc/52/44/52/463524452.db2.gz JVLDNDANORQTDN-UHFFFAOYSA-N 1 0 343.449 2.133 10 5 EEBERO Nc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107666557 463577322 /nfs/dbraw/zinc/57/73/22/463577322.db2.gz PADBIQCPDNZBKA-AWEZNQCLSA-N 1 0 332.404 2.268 10 5 EEBERO COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000262169706 463964086 /nfs/dbraw/zinc/96/40/86/463964086.db2.gz HQGXUOMWMVEWDA-HYSWKAIVSA-N 1 0 349.387 2.074 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1 ZINC000590971147 468388183 /nfs/dbraw/zinc/38/81/83/468388183.db2.gz OXHONFXEMQQMJL-LSDHHAIUSA-N 1 0 334.372 2.429 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000284977436 464413908 /nfs/dbraw/zinc/41/39/08/464413908.db2.gz XWERRNBWBGCBJU-HOCLYGCPSA-N 1 0 335.404 2.009 10 5 EEBERO C[N@H+](CCO)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000264926855 464504687 /nfs/dbraw/zinc/50/46/87/464504687.db2.gz NUIQMUBMWPIZNX-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246163233 464552701 /nfs/dbraw/zinc/55/27/01/464552701.db2.gz IEWBZBMXSRQKLG-RYUDHWBXSA-N 1 0 336.392 2.085 10 5 EEBERO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000248441041 464751529 /nfs/dbraw/zinc/75/15/29/464751529.db2.gz DLOHQXLUIZFUEJ-MAUKXSAKSA-N 1 0 344.415 2.259 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000183471462 464869144 /nfs/dbraw/zinc/86/91/44/464869144.db2.gz BXJBGVUMPGDEFO-HNNXBMFYSA-N 1 0 327.388 2.452 10 5 EEBERO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000251746166 464941791 /nfs/dbraw/zinc/94/17/91/464941791.db2.gz LDAXQUZCLAWVNL-GZMMTYOYSA-N 1 0 329.198 2.316 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177235525 464964956 /nfs/dbraw/zinc/96/49/56/464964956.db2.gz BYUXHQGAKGEADP-WMLDXEAASA-N 1 0 349.431 2.146 10 5 EEBERO O=[N+]([O-])c1cc2ccccc2nc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000276560063 464979645 /nfs/dbraw/zinc/97/96/45/464979645.db2.gz GGXXLUBOCJHONW-AWEZNQCLSA-N 1 0 330.388 2.402 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593919390 468433797 /nfs/dbraw/zinc/43/37/97/468433797.db2.gz PVHYAYFDBYTGNC-DJIMGWMZSA-N 1 0 347.415 2.025 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000330490724 465679805 /nfs/dbraw/zinc/67/98/05/465679805.db2.gz NYOHXKRBKUKAAW-CYBMUJFWSA-N 1 0 341.433 2.056 10 5 EEBERO Cc1c(NC(=O)CCN2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000299352748 465711634 /nfs/dbraw/zinc/71/16/34/465711634.db2.gz SDAWXLMBJUWPEO-UHFFFAOYSA-N 1 0 332.404 2.012 10 5 EEBERO COC[C@@H](CC1CCOCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118538 468449349 /nfs/dbraw/zinc/44/93/49/468449349.db2.gz XUIIKNPCHWLJEG-CYBMUJFWSA-N 1 0 348.403 2.392 10 5 EEBERO COc1ccc(OCC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362449175 465748229 /nfs/dbraw/zinc/74/82/29/465748229.db2.gz HDZPLZDMBAGZDZ-HIFRSBDPSA-N 1 0 336.388 2.483 10 5 EEBERO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ncsc2c1 ZINC000362563931 465833608 /nfs/dbraw/zinc/83/36/08/465833608.db2.gz FLRJUNHKBWOIDD-GXFFZTMASA-N 1 0 347.400 2.113 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000363264156 466317863 /nfs/dbraw/zinc/31/78/63/466317863.db2.gz JGSQYPIRIIHWNT-LNSITVRQSA-N 1 0 333.388 2.092 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c(F)c1 ZINC000350285673 466448809 /nfs/dbraw/zinc/44/88/09/466448809.db2.gz GXTHBYLPGWUBHM-UHFFFAOYSA-N 1 0 330.381 2.038 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347351312 466585583 /nfs/dbraw/zinc/58/55/83/466585583.db2.gz DSLYDYBOXCCGOZ-JMPLCFMRSA-N 1 0 333.432 2.387 10 5 EEBERO C[C@H]1C[N@H+](CCO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450955064 467214890 /nfs/dbraw/zinc/21/48/90/467214890.db2.gz PBSPOKAFLAXAJX-LBPRGKRZSA-N 1 0 348.428 2.221 10 5 EEBERO [NH3+]CC1(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000404548313 467476492 /nfs/dbraw/zinc/47/64/92/467476492.db2.gz LPQSBCYBKXNGHJ-UHFFFAOYSA-N 1 0 342.193 2.216 10 5 EEBERO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000408021563 467496592 /nfs/dbraw/zinc/49/65/92/467496592.db2.gz IORXXWGBWGUZPS-CYBMUJFWSA-N 1 0 328.372 2.386 10 5 EEBERO CCOc1cc(CN2CCSC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000492786596 467751356 /nfs/dbraw/zinc/75/13/56/467751356.db2.gz BAKGLLKTVMJVLO-ZDUSSCGKSA-N 1 0 326.418 2.293 10 5 EEBERO COc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])cc1F ZINC000450593932 467876375 /nfs/dbraw/zinc/87/63/75/467876375.db2.gz JPXKXWWALIZEPS-NSHDSACASA-N 1 0 327.356 2.001 10 5 EEBERO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000487547219 468043984 /nfs/dbraw/zinc/04/39/84/468043984.db2.gz FQOFMGPGYTTZMY-FZMZJTMJSA-N 1 0 326.418 2.393 10 5 EEBERO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532408039 468117394 /nfs/dbraw/zinc/11/73/94/468117394.db2.gz UUEGVQJNWGTQBL-UHFFFAOYSA-N 1 0 328.372 2.372 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CCC[NH+]2CCCC2)c1 ZINC000589515781 468159409 /nfs/dbraw/zinc/15/94/09/468159409.db2.gz BBIJHTXQMDDFEZ-UHFFFAOYSA-N 1 0 335.404 2.299 10 5 EEBERO [NH3+]CCc1ccccc1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000578542932 468216702 /nfs/dbraw/zinc/21/67/02/468216702.db2.gz HQTIVZOGNUISJM-UHFFFAOYSA-N 1 0 325.368 2.295 10 5 EEBERO C[N@@H+]1CCCN(CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591904296 468558664 /nfs/dbraw/zinc/55/86/64/468558664.db2.gz WLZQLMKTFXDJTC-UHFFFAOYSA-N 1 0 347.463 2.308 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600468692 468565912 /nfs/dbraw/zinc/56/59/12/468565912.db2.gz GLTNCHBCJLEHFH-CQSZACIVSA-N 1 0 333.388 2.350 10 5 EEBERO [NH3+]C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000594523764 468614516 /nfs/dbraw/zinc/61/45/16/468614516.db2.gz CUJFWTUUBINLOX-GFCCVEGCSA-N 1 0 346.309 2.158 10 5 EEBERO CC(C)Cc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600742166 468644807 /nfs/dbraw/zinc/64/48/07/468644807.db2.gz BABRDWAXWXNEQQ-KRWDZBQOSA-N 1 0 332.404 2.141 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000592166861 468644946 /nfs/dbraw/zinc/64/49/46/468644946.db2.gz JZVNQFNNMKOEMK-ZWKOTPCHSA-N 1 0 344.415 2.249 10 5 EEBERO COc1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592426099 468695780 /nfs/dbraw/zinc/69/57/80/468695780.db2.gz JDJBSXNDFYQPAV-CQSZACIVSA-N 1 0 334.376 2.400 10 5 EEBERO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594951129 468730225 /nfs/dbraw/zinc/73/02/25/468730225.db2.gz BMHBODCPWHEJHS-WDBKCZKBSA-N 1 0 331.372 2.406 10 5 EEBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592571180 468732049 /nfs/dbraw/zinc/73/20/49/468732049.db2.gz USDUJMTVLMAGQJ-CQSZACIVSA-N 1 0 335.429 2.478 10 5 EEBERO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC(=O)N3)o2)c([N+](=O)[O-])c1 ZINC000594988801 468738924 /nfs/dbraw/zinc/73/89/24/468738924.db2.gz RVFAJJZCCFTOAJ-NSHDSACASA-N 1 0 345.355 2.232 10 5 EEBERO COc1cc(CSC[C@H]2CN(C)CCO2)c([N+](=O)[O-])cc1F ZINC000571325546 468772377 /nfs/dbraw/zinc/77/23/77/468772377.db2.gz SUXSTVXNUSLHTO-LLVKDONJSA-N 1 0 330.381 2.306 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226264 468788545 /nfs/dbraw/zinc/78/85/45/468788545.db2.gz SRVZJOHSSTVIBS-ZBFHGGJFSA-N 1 0 346.431 2.387 10 5 EEBERO COc1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC000584226904 468824097 /nfs/dbraw/zinc/82/40/97/468824097.db2.gz UWGIFUSAEDEWLN-QGZVFWFLSA-N 1 0 333.388 2.128 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598465089 468874667 /nfs/dbraw/zinc/87/46/67/468874667.db2.gz CGANWNXESKVQPX-UHFFFAOYSA-N 1 0 333.392 2.321 10 5 EEBERO Cc1c(NC(=O)CC[NH+]2C[C@@H](C)C(O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000595746209 468984429 /nfs/dbraw/zinc/98/44/29/468984429.db2.gz VDYWTYWYFRVWFI-VXGBXAGGSA-N 1 0 335.404 2.181 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000593455481 468987302 /nfs/dbraw/zinc/98/73/02/468987302.db2.gz UUOCKVNUQXXZER-OAHLLOKOSA-N 1 0 342.399 2.444 10 5 EEBERO COC1CCC(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000572834755 469003812 /nfs/dbraw/zinc/00/38/12/469003812.db2.gz YZLMLWPBCNTFJK-SLTAFYQDSA-N 1 0 338.404 2.129 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000601792565 469029784 /nfs/dbraw/zinc/02/97/84/469029784.db2.gz XYGHDJGTHILAJO-UHFFFAOYSA-N 1 0 349.387 2.270 10 5 EEBERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000598892472 469041293 /nfs/dbraw/zinc/04/12/93/469041293.db2.gz GHPJWVSCPXDVOP-AWEZNQCLSA-N 1 0 347.415 2.310 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+](C)CC(C)C ZINC000593617133 469061316 /nfs/dbraw/zinc/06/13/16/469061316.db2.gz XLHPTDUKRIOLGQ-UHFFFAOYSA-N 1 0 343.449 2.159 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588835209 469169357 /nfs/dbraw/zinc/16/93/57/469169357.db2.gz JDCWETMUOUULKY-GFCCVEGCSA-N 1 0 333.392 2.043 10 5 EEBERO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(CO)ccc3F)CC2)n1 ZINC000599396621 469242546 /nfs/dbraw/zinc/24/25/46/469242546.db2.gz RWPSAVPFINBIEF-UHFFFAOYSA-N 1 0 334.351 2.260 10 5 EEBERO CC(=O)c1cc(N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596359702 469250474 /nfs/dbraw/zinc/25/04/74/469250474.db2.gz CBURXAZFEIMIGM-ZDUSSCGKSA-N 1 0 336.436 2.481 10 5 EEBERO COc1cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611515166 469269187 /nfs/dbraw/zinc/26/91/87/469269187.db2.gz APUATQTYUXNSLV-INIZCTEOSA-N 1 0 349.431 2.290 10 5 EEBERO C[C@H](CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000596600581 469309803 /nfs/dbraw/zinc/30/98/03/469309803.db2.gz IPOVYFKEJYUHMD-GFCCVEGCSA-N 1 0 347.419 2.258 10 5 EEBERO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000596417739 485611669 /nfs/dbraw/zinc/61/16/69/485611669.db2.gz JUJPDJKMNHJYKP-OAHLLOKOSA-N 1 0 334.420 2.263 10 5 EEBERO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276955 577456462 /nfs/dbraw/zinc/45/64/62/577456462.db2.gz MIVXJMODZMMLMV-MJGOQNOKSA-N 1 0 343.427 2.391 10 5 EEBERO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749690330 577980075 /nfs/dbraw/zinc/98/00/75/577980075.db2.gz OEYRJCGVKZUCPV-MJGOQNOKSA-N 1 0 343.427 2.391 10 5 EEBERO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CCS(=O)CC1 ZINC000162228217 679473358 /nfs/dbraw/zinc/47/33/58/679473358.db2.gz YBOMKOKPJGXEJW-UHFFFAOYSA-N 1 0 347.234 2.358 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000928441856 683165200 /nfs/dbraw/zinc/16/52/00/683165200.db2.gz PNTVBGYAAARGGO-UFBFGSQYSA-N 1 0 331.294 2.436 10 5 EEBERO O=C1N(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000895340691 684515848 /nfs/dbraw/zinc/51/58/48/684515848.db2.gz AKAJXCPIUUAQNC-YERXGYGTSA-N 1 0 344.415 2.488 10 5 EEBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(CCF)C2)c1 ZINC000898485630 693332485 /nfs/dbraw/zinc/33/24/85/693332485.db2.gz LZQKXOGLZQDKOE-NSHDSACASA-N 1 0 341.408 2.480 10 5 EEBERO O=C(NCCC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267943260 1180801159 /nfs/dbraw/zinc/80/11/59/1180801159.db2.gz HDDFHDFUGSLKME-QZTJIDSGSA-N 1 0 345.443 2.113 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1CS(=O)(=O)C1 ZINC000872064123 1198038404 /nfs/dbraw/zinc/03/84/04/1198038404.db2.gz CFMQLONJWSBJFZ-JTQLQIEISA-N 1 0 344.458 2.402 10 5 EEBERO [NH3+]C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872147457 1198055711 /nfs/dbraw/zinc/05/57/11/1198055711.db2.gz BGICDRHDXZJFNP-GWCFXTLKSA-N 1 0 333.310 2.043 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000865996712 1198448640 /nfs/dbraw/zinc/44/86/40/1198448640.db2.gz MXWRXHRBEVULHS-ZDUSSCGKSA-N 1 0 330.388 2.400 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)n1 ZINC000866444151 1201519442 /nfs/dbraw/zinc/51/94/42/1201519442.db2.gz CYCUXUNHBJONKE-ZIGUVNGYSA-N 1 0 332.404 2.288 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000868210293 1201765409 /nfs/dbraw/zinc/76/54/09/1201765409.db2.gz KBDVYCHTAYPLBF-LSDHHAIUSA-N 1 0 332.404 2.329 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000868282850 1201782729 /nfs/dbraw/zinc/78/27/29/1201782729.db2.gz JBKLUEYAMMYPMQ-OAHLLOKOSA-N 1 0 332.404 2.187 10 5 EEBERO Cc1c(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cccc1[N+](=O)[O-] ZINC000928104947 1206345919 /nfs/dbraw/zinc/34/59/19/1206345919.db2.gz QWDRUEDZUUHXOH-GDBMZVCRSA-N 1 0 349.456 2.142 10 5 EEBERO CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000778268188 1208028689 /nfs/dbraw/zinc/02/86/89/1208028689.db2.gz CULRXWYOLUCXEA-AWEZNQCLSA-N 1 0 339.342 2.239 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903485155 1240621852 /nfs/dbraw/zinc/62/18/52/1240621852.db2.gz JSSILJPALHLDJG-HNNXBMFYSA-N 1 0 332.404 2.106 10 5 EEBERO [NH3+][C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000903536297 1240837799 /nfs/dbraw/zinc/83/77/99/1240837799.db2.gz YGSCKZOBDCFDLG-OLZOCXBDSA-N 1 0 333.310 2.185 10 5 EEBERO Nc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000850716732 1277311855 /nfs/dbraw/zinc/31/18/55/1277311855.db2.gz XPVHUJSWESTFAK-DZGCQCFKSA-N 1 0 332.404 2.171 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC001197231271 1284513130 /nfs/dbraw/zinc/51/31/30/1284513130.db2.gz UPPDALGVODBHEI-WBVHZDCISA-N 1 0 349.387 2.233 10 5 EEBERO COCC[N@H+](CCF)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000852482688 1292123181 /nfs/dbraw/zinc/12/31/81/1292123181.db2.gz KRBKTRPIIQZFOW-UHFFFAOYSA-N 1 0 327.356 2.150 10 5 EEBERO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000858474585 1294127153 /nfs/dbraw/zinc/12/71/53/1294127153.db2.gz BPOKSXSDGPABTR-SMDDNHRTSA-N 1 0 347.371 2.163 10 5 EEBERO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000861351329 1295359101 /nfs/dbraw/zinc/35/91/01/1295359101.db2.gz IDQTVPFWZDYESC-RHSMWYFYSA-N 1 0 336.388 2.098 10 5 EEBERO C[C@H]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000861608918 1295476195 /nfs/dbraw/zinc/47/61/95/1295476195.db2.gz YENJIDNAPBYQNK-GXSJLCMTSA-N 1 0 326.784 2.188 10 5 EEBERO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000862486255 1295855857 /nfs/dbraw/zinc/85/58/57/1295855857.db2.gz BWMAXLDNRABXMC-CYBMUJFWSA-N 1 0 348.355 2.108 10 5 EEBERO C[C@H]1CCC[C@@](CNC(=O)c2ccc([N+](=O)[O-])cc2N)([NH+](C)C)C1 ZINC001142066338 1315449685 /nfs/dbraw/zinc/44/96/85/1315449685.db2.gz VCJRLJUMGNBFPW-YVEFUNNKSA-N 1 0 334.420 2.417 10 5 EEBERO CCc1oncc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001323555448 1333487535 /nfs/dbraw/zinc/48/75/35/1333487535.db2.gz PRKUJFLSIOSANM-UHFFFAOYSA-N 1 0 344.371 2.197 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC001620611838 1352360821 /nfs/dbraw/zinc/36/08/21/1352360821.db2.gz IQNVJWCAILKSOM-UHFFFAOYSA-N 1 0 344.371 2.464 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1F ZINC001620645170 1352361157 /nfs/dbraw/zinc/36/11/57/1352361157.db2.gz MXYIPDSBFWJLEZ-INIZCTEOSA-N 1 0 347.346 2.468 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001628950627 1352546147 /nfs/dbraw/zinc/54/61/47/1352546147.db2.gz JCXDIYUTMGFGIU-CQSZACIVSA-N 1 0 340.383 2.181 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC001633908284 1352620249 /nfs/dbraw/zinc/62/02/49/1352620249.db2.gz HSWCRPJUMRDNAT-UHFFFAOYSA-N 1 0 332.404 2.150 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001648309692 1353423955 /nfs/dbraw/zinc/42/39/55/1353423955.db2.gz CDEFKPZYGWPIGD-OAHLLOKOSA-N 1 0 346.431 2.245 10 5 EEBERO C[C@@H]1CC[C@@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC001656510947 1354243625 /nfs/dbraw/zinc/24/36/25/1354243625.db2.gz KMIQJHCEZCVRBM-DYVFJYSZSA-N 1 0 330.388 2.166 10 5 EEBERO C[N@H+](CCNC(=O)COc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663321456 1354948481 /nfs/dbraw/zinc/94/84/81/1354948481.db2.gz VNWFCYIFAVKDPG-UHFFFAOYSA-N 1 0 343.383 2.222 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccns1 ZINC001668441831 1355941728 /nfs/dbraw/zinc/94/17/28/1355941728.db2.gz QIWWVGXDGYDVSJ-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CCCC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001673709384 1356737586 /nfs/dbraw/zinc/73/75/86/1356737586.db2.gz MXQQWJQKZDIXNR-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO CCN1C[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)OC1=O ZINC000846810041 790636345 /nfs/dbraw/zinc/63/63/45/790636345.db2.gz UNQDSNPYKVJTHM-MRXNPFEDSA-N 1 0 349.387 2.279 10 5 EEBERO CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC001135495912 783881202 /nfs/dbraw/zinc/88/12/02/783881202.db2.gz ZZILNDTZOYAZPQ-UHFFFAOYSA-N 1 0 325.796 2.343 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000816883384 784331558 /nfs/dbraw/zinc/33/15/58/784331558.db2.gz AHUQORROQSNSCT-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1 ZINC000819318590 785524839 /nfs/dbraw/zinc/52/48/39/785524839.db2.gz CAGKGFCYTMCCAU-ZBFHGGJFSA-N 1 0 332.331 2.361 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC000585118022 786498587 /nfs/dbraw/zinc/49/85/87/786498587.db2.gz TWMBFQIHELPCSK-STQMWFEESA-N 1 0 334.376 2.061 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C12CCC[NH+](CCC1)C2 ZINC000911474755 787467511 /nfs/dbraw/zinc/46/75/11/787467511.db2.gz YTIAWQIYIWTIOH-UHFFFAOYSA-N 1 0 339.342 2.365 10 5 EEBERO C[C@@H](C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000913278572 788738584 /nfs/dbraw/zinc/73/85/84/788738584.db2.gz IQAUIASYVHBETG-XWIAVFTESA-N 1 0 331.416 2.499 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913278448 788738591 /nfs/dbraw/zinc/73/85/91/788738591.db2.gz GSQYXKYIUPACFZ-IRXDYDNUSA-N 1 0 333.388 2.017 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913275731 788751941 /nfs/dbraw/zinc/75/19/41/788751941.db2.gz VVQOSODTDZDLJU-QFHJOOASSA-N 1 0 343.427 2.499 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923539486 789743991 /nfs/dbraw/zinc/74/39/91/789743991.db2.gz PLVIBLWWOPCFBB-SFHVURJKSA-N 1 0 346.431 2.450 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCC[C@](O)(C3CC3)C2)o1 ZINC001171888028 796783298 /nfs/dbraw/zinc/78/32/98/796783298.db2.gz NPRSXKJFRGTXFG-QGZVFWFLSA-N 1 0 344.371 2.382 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001128216624 798361887 /nfs/dbraw/zinc/36/18/87/798361887.db2.gz HGKJNHQGRNCVKT-AWEZNQCLSA-N 1 0 343.387 2.179 10 5 EEBERO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC001177573477 799030409 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348.447 2.220 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)on1 ZINC001498512783 1107657576 /nfs/dbraw/zinc/65/75/76/1107657576.db2.gz WOYHIBVFDGUTCE-UHFFFAOYSA-N 1 0 338.389 2.205 10 5 EEBERO CCC[N@H+](CCNC(=O)c1ccncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001493321001 1107926401 /nfs/dbraw/zinc/92/64/01/1107926401.db2.gz FNNCEWJREYBUNC-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO CN(CC[NH2+]Cc1ccc2ccccc2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493543823 1108289669 /nfs/dbraw/zinc/28/96/69/1108289669.db2.gz DFVHGWYJPSCYQD-IAGOWNOFSA-N 1 0 327.384 2.053 10 5 EEBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001458669300 1109928748 /nfs/dbraw/zinc/92/87/48/1109928748.db2.gz POGLJWCQZAMXIS-JTQLQIEISA-N 1 0 331.294 2.181 10 5 EEBERO Cc1noc(C[C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC001460859398 1110326716 /nfs/dbraw/zinc/32/67/16/1110326716.db2.gz ROHRVCMAGLZBAC-CZUORRHYSA-N 1 0 346.387 2.274 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC001540431427 1124082544 /nfs/dbraw/zinc/08/25/44/1124082544.db2.gz DZOHNPBSRWDZES-UONOGXRCSA-N 1 0 334.420 2.243 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178630448 232321317 /nfs/dbraw/zinc/32/13/17/232321317.db2.gz NYTGVHWWMVDGBM-OAHLLOKOSA-N 1 0 332.404 2.012 10 5 EEBERO C[NH+](C)CCNC(=O)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000069653950 215516287 /nfs/dbraw/zinc/51/62/87/215516287.db2.gz SHFGWUJJXJWKQJ-UHFFFAOYSA-N 1 0 342.399 2.498 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000357099025 283375583 /nfs/dbraw/zinc/37/55/83/283375583.db2.gz ULUMAPPXNVPAJA-KRWDZBQOSA-N 1 0 333.388 2.086 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451919740 243317629 /nfs/dbraw/zinc/31/76/29/243317629.db2.gz ZYVLJSYFDVMIOH-GXFFZTMASA-N 1 0 334.294 2.219 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265025442 247143397 /nfs/dbraw/zinc/14/33/97/247143397.db2.gz YZOMCVMPVCDLEZ-CZUORRHYSA-N 1 0 342.399 2.245 10 5 EEBERO O=[N+]([O-])c1ccc2sc([S@](=O)C[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092231 218280200 /nfs/dbraw/zinc/28/02/00/218280200.db2.gz MQAMDBRSOMYOLB-BTKVJGODSA-N 1 0 325.415 2.454 10 5 EEBERO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273378262 256291027 /nfs/dbraw/zinc/29/10/27/256291027.db2.gz BRKZFGOATNHTAC-HOCLYGCPSA-N 1 0 349.431 2.266 10 5 EEBERO COC(=O)[C@@H](C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000357657451 153271294 /nfs/dbraw/zinc/27/12/94/153271294.db2.gz ZHXSPNAMUUAQLZ-AWEZNQCLSA-N 1 0 346.387 2.103 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000101516470 159251570 /nfs/dbraw/zinc/25/15/70/159251570.db2.gz UAEJHDHXBAYYSS-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO Nc1c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176660652 159862644 /nfs/dbraw/zinc/86/26/44/159862644.db2.gz UBFZMTPMLPFCBR-UHFFFAOYSA-N 1 0 332.404 2.125 10 5 EEBERO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])s2)(N2CCCCC2)CC1 ZINC000190331313 160157905 /nfs/dbraw/zinc/15/79/05/160157905.db2.gz WQCPABFXVRESGU-UHFFFAOYSA-N 1 0 339.465 2.414 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000246839456 160296526 /nfs/dbraw/zinc/29/65/26/160296526.db2.gz BKUNHTRYDMQDOQ-AAEUAGOBSA-N 1 0 343.387 2.170 10 5 EEBERO CC(C)(C)C1=CC[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000346097394 161357040 /nfs/dbraw/zinc/35/70/40/161357040.db2.gz DJQXQUQHVQZBHL-UHFFFAOYSA-N 1 0 347.419 2.179 10 5 EEBERO C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000376513295 167341782 /nfs/dbraw/zinc/34/17/82/167341782.db2.gz QCUCLSYDRPRJKX-AAEUAGOBSA-N 1 0 348.359 2.202 10 5 EEBERO C[N@H+](CCO)C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000272189998 268925243 /nfs/dbraw/zinc/92/52/43/268925243.db2.gz KPKVXACSOWSJAG-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274779705 274221675 /nfs/dbraw/zinc/22/16/75/274221675.db2.gz KIQCFODFINCIKU-UHFFFAOYSA-N 1 0 342.399 2.425 10 5 EEBERO COC(=O)c1cnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292149791 275384799 /nfs/dbraw/zinc/38/47/99/275384799.db2.gz CELXNXKYLOGANP-GFCCVEGCSA-N 1 0 348.403 2.087 10 5 EEBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000247313193 277155589 /nfs/dbraw/zinc/15/55/89/277155589.db2.gz RIIXWSNJKULJPJ-XHDPSFHLSA-N 1 0 348.359 2.059 10 5 EEBERO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCO1 ZINC000130449563 279465173 /nfs/dbraw/zinc/46/51/73/279465173.db2.gz ZLMDSPPEVXYGBX-IINYFYTJSA-N 1 0 325.340 2.220 10 5 EEBERO Cc1nc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297540951 294273725 /nfs/dbraw/zinc/27/37/25/294273725.db2.gz PYVHFFDMUCFVIF-HNNXBMFYSA-N 1 0 327.388 2.404 10 5 EEBERO CNC(=O)[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000425453536 314398198 /nfs/dbraw/zinc/39/81/98/314398198.db2.gz FFWWVRQTAXECFH-LBPRGKRZSA-N 1 0 344.209 2.218 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000440907535 315158056 /nfs/dbraw/zinc/15/80/56/315158056.db2.gz XIEAITWZLHORBQ-OAHLLOKOSA-N 1 0 338.404 2.009 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000545151512 318204114 /nfs/dbraw/zinc/20/41/14/318204114.db2.gz XQMCMZAQGVNROF-UHFFFAOYSA-N 1 0 344.415 2.315 10 5 EEBERO [NH3+]CC12CCC(CC1)CN2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000563421779 319009817 /nfs/dbraw/zinc/00/98/17/319009817.db2.gz SITXOBISXORTFN-UHFFFAOYSA-N 1 0 343.387 2.348 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000564839860 319116659 /nfs/dbraw/zinc/11/66/59/319116659.db2.gz FEWUMARCKMBBPQ-CYBMUJFWSA-N 1 0 331.376 2.021 10 5 EEBERO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000181999292 323361339 /nfs/dbraw/zinc/36/13/39/323361339.db2.gz XITAMUUGUPFNRC-NSHDSACASA-N 1 0 335.335 2.255 10 5 EEBERO CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347889107 465288810 /nfs/dbraw/zinc/28/88/10/465288810.db2.gz JJQQTYYCSDBJSV-ZDUSSCGKSA-N 1 0 328.372 2.385 10 5 EEBERO Cn1cc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000590603789 468285145 /nfs/dbraw/zinc/28/51/45/468285145.db2.gz RMJYQMVFZWKOJQ-MRXNPFEDSA-N 1 0 330.388 2.322 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000113271325 462584717 /nfs/dbraw/zinc/58/47/17/462584717.db2.gz PDHISCSNJFKWRW-IUODEOHRSA-N 1 0 333.388 2.130 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000047142988 462747710 /nfs/dbraw/zinc/74/77/10/462747710.db2.gz VBJXZWWUTJYTOP-AWEZNQCLSA-N 1 0 334.420 2.387 10 5 EEBERO O=[N+]([O-])c1cnccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000066810499 462933206 /nfs/dbraw/zinc/93/32/06/462933206.db2.gz OPKGFEZZAHKPBZ-UHFFFAOYSA-N 1 0 348.325 2.081 10 5 EEBERO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161309516 463418511 /nfs/dbraw/zinc/41/85/11/463418511.db2.gz QICDIZYULDDOQF-PBWFPOADSA-N 1 0 333.388 2.105 10 5 EEBERO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000105808233 463470250 /nfs/dbraw/zinc/47/02/50/463470250.db2.gz QOOOILKOEAHSNZ-MRXNPFEDSA-N 1 0 327.388 2.486 10 5 EEBERO CC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000112080334 463689958 /nfs/dbraw/zinc/68/99/58/463689958.db2.gz NZDUYHFERLKHPI-ZIAGYGMSSA-N 1 0 344.415 2.424 10 5 EEBERO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000255369553 463721162 /nfs/dbraw/zinc/72/11/62/463721162.db2.gz OCIFGQXEWAUHRW-MTWCHYJXSA-N 1 0 331.416 2.261 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000170858966 463723185 /nfs/dbraw/zinc/72/31/85/463723185.db2.gz CTYYQMJAPRKYCC-HNNXBMFYSA-N 1 0 346.431 2.361 10 5 EEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269376253 463969254 /nfs/dbraw/zinc/96/92/54/463969254.db2.gz IETWISNGAGREDU-NSHDSACASA-N 1 0 325.413 2.147 10 5 EEBERO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000176246583 464730471 /nfs/dbraw/zinc/73/04/71/464730471.db2.gz CITJSNMCGTVPRR-UHFFFAOYSA-N 1 0 334.351 2.474 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000176989922 464901047 /nfs/dbraw/zinc/90/10/47/464901047.db2.gz XGRBULVDTDGHPF-AWEZNQCLSA-N 1 0 335.404 2.306 10 5 EEBERO Cc1csc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000184136891 464951132 /nfs/dbraw/zinc/95/11/32/464951132.db2.gz NTACHYLEHHUAFD-YPMHNXCESA-N 1 0 337.401 2.450 10 5 EEBERO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000192726477 464985581 /nfs/dbraw/zinc/98/55/81/464985581.db2.gz YDAOGZILVPGVFH-NSHDSACASA-N 1 0 335.385 2.093 10 5 EEBERO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347943129 465324521 /nfs/dbraw/zinc/32/45/21/465324521.db2.gz IDKPAEGHCFGBLR-OAHLLOKOSA-N 1 0 335.429 2.240 10 5 EEBERO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000301292157 465937735 /nfs/dbraw/zinc/93/77/35/465937735.db2.gz VFGFWGDAGYFEAU-CQSZACIVSA-N 1 0 341.843 2.327 10 5 EEBERO Cc1ccnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301752664 466025591 /nfs/dbraw/zinc/02/55/91/466025591.db2.gz VRKGOUDYOUSIKN-OAHLLOKOSA-N 1 0 334.420 2.379 10 5 EEBERO CCOC(=O)c1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000600128970 468468661 /nfs/dbraw/zinc/46/86/61/468468661.db2.gz DFOVYFACXGVLBL-UHFFFAOYSA-N 1 0 329.356 2.499 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(NCC[N@@H+]3CCc4sccc4C3)nn21 ZINC000301962606 466069759 /nfs/dbraw/zinc/06/97/59/466069759.db2.gz IQMGSEYNXNAEGV-UHFFFAOYSA-N 1 0 344.400 2.169 10 5 EEBERO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H](C)O ZINC000303977225 466242750 /nfs/dbraw/zinc/24/27/50/466242750.db2.gz CPNVHCGGZCCVIX-JTQLQIEISA-N 1 0 329.784 2.278 10 5 EEBERO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000353978791 466296522 /nfs/dbraw/zinc/29/65/22/466296522.db2.gz NSAFJBVUXWWDLF-QWHCGFSZSA-N 1 0 340.445 2.471 10 5 EEBERO Cc1cc(N2CCCO[C@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000313348544 466540137 /nfs/dbraw/zinc/54/01/37/466540137.db2.gz DACCNOTXUPJQGC-SNVBAGLBSA-N 1 0 344.209 2.220 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000591678736 468501271 /nfs/dbraw/zinc/50/12/71/468501271.db2.gz FPWWDEIJDYYWAG-CYBMUJFWSA-N 1 0 334.420 2.252 10 5 EEBERO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411322885 466806774 /nfs/dbraw/zinc/80/67/74/466806774.db2.gz DHMJSMQPAFRPAF-XJKSGUPXSA-N 1 0 334.420 2.338 10 5 EEBERO CN(CC(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000365430736 466815968 /nfs/dbraw/zinc/81/59/68/466815968.db2.gz PHKXIMHNJNKCTE-UHFFFAOYSA-N 1 0 346.431 2.164 10 5 EEBERO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000366119828 467064576 /nfs/dbraw/zinc/06/45/76/467064576.db2.gz PQPVQTFGEXKRBS-DZGCQCFKSA-N 1 0 340.383 2.383 10 5 EEBERO C[C@@H](O)[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000414598348 467421627 /nfs/dbraw/zinc/42/16/27/467421627.db2.gz XYUSFJVFISNVFJ-SJKOYZFVSA-N 1 0 332.356 2.436 10 5 EEBERO C[C@@H](O)[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000414598345 467421867 /nfs/dbraw/zinc/42/18/67/467421867.db2.gz XYUSFJVFISNVFJ-PXAZEXFGSA-N 1 0 332.356 2.436 10 5 EEBERO CN(C)CC[N@H+](C)CCCN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487972393 468064608 /nfs/dbraw/zinc/06/46/08/468064608.db2.gz LWVAOSYAFJAEPC-UHFFFAOYSA-N 1 0 345.447 2.463 10 5 EEBERO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(OCC[NH+](C)C)c1 ZINC000531888492 468082899 /nfs/dbraw/zinc/08/28/99/468082899.db2.gz BZILMYSENZGIBS-UHFFFAOYSA-N 1 0 344.371 2.491 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000582486349 468547923 /nfs/dbraw/zinc/54/79/23/468547923.db2.gz KCIKJYWAPPFREC-KRWDZBQOSA-N 1 0 343.387 2.220 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600474097 468568797 /nfs/dbraw/zinc/56/87/97/468568797.db2.gz WYXSWPIIOMBWCN-CYBMUJFWSA-N 1 0 333.388 2.350 10 5 EEBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000592184768 468648739 /nfs/dbraw/zinc/64/87/39/468648739.db2.gz PRHJWQLQKZXMNN-ZDUSSCGKSA-N 1 0 331.294 2.095 10 5 EEBERO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 ZINC000594990051 468739469 /nfs/dbraw/zinc/73/94/69/468739469.db2.gz MTGFXLYQOINPNH-IAGOWNOFSA-N 1 0 331.416 2.328 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000595069690 468752246 /nfs/dbraw/zinc/75/22/46/468752246.db2.gz QOPVAXXGXKUUSZ-ZWNOBZJWSA-N 1 0 343.330 2.326 10 5 EEBERO Cc1cncc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000595092666 468757136 /nfs/dbraw/zinc/75/71/36/468757136.db2.gz YUWXOGSNRUGCFW-GJZGRUSLSA-N 1 0 330.392 2.206 10 5 EEBERO Cc1cncc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000595092668 468757237 /nfs/dbraw/zinc/75/72/37/468757237.db2.gz YUWXOGSNRUGCFW-LSDHHAIUSA-N 1 0 330.392 2.206 10 5 EEBERO CC[C@@H]1C[N@H+](C)CCCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601188089 468775557 /nfs/dbraw/zinc/77/55/57/468775557.db2.gz BLNQCNLPFFBRQI-SECBINFHSA-N 1 0 335.330 2.268 10 5 EEBERO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601291825 468813105 /nfs/dbraw/zinc/81/31/05/468813105.db2.gz OGDLIJHQTBMCJY-UHFFFAOYSA-N 1 0 347.462 2.117 10 5 EEBERO O=c1c2cc([N+](=O)[O-])sc2ncn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000593013821 468839802 /nfs/dbraw/zinc/83/98/02/468839802.db2.gz WDCYCMQAWFLCJG-UHFFFAOYSA-N 1 0 342.380 2.060 10 5 EEBERO Cc1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598540702 468906628 /nfs/dbraw/zinc/90/66/28/468906628.db2.gz DZMFZWCVLMQKQE-HNNXBMFYSA-N 1 0 335.404 2.086 10 5 EEBERO O=C(N1CC[NH+]2CCC1CC2)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601525233 468907018 /nfs/dbraw/zinc/90/70/18/468907018.db2.gz KYDTXSKOHSREBM-UHFFFAOYSA-N 1 0 329.400 2.323 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595631300 468930628 /nfs/dbraw/zinc/93/06/28/468930628.db2.gz GWCXKWSYIRWTDL-FRFSOERESA-N 1 0 338.404 2.129 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000593467312 468993518 /nfs/dbraw/zinc/99/35/18/468993518.db2.gz OFGCPGIKZAKGIQ-AWEZNQCLSA-N 1 0 328.372 2.054 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595906744 469075217 /nfs/dbraw/zinc/07/52/17/469075217.db2.gz MPFSLMZLSJMDDM-QGZVFWFLSA-N 1 0 337.420 2.016 10 5 EEBERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000599002764 469084264 /nfs/dbraw/zinc/08/42/64/469084264.db2.gz AQQDBQYHHVGKMY-HNNXBMFYSA-N 1 0 331.372 2.275 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000587626281 469090835 /nfs/dbraw/zinc/09/08/35/469090835.db2.gz JBEKWNYGBDTTPG-LBPRGKRZSA-N 1 0 336.392 2.052 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000599041418 469096834 /nfs/dbraw/zinc/09/68/34/469096834.db2.gz VSVBSAJABYDAPO-NVXWUHKLSA-N 1 0 342.399 2.178 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000596071471 469140028 /nfs/dbraw/zinc/14/00/28/469140028.db2.gz NNMJGYCDXSCNLR-UHFFFAOYSA-N 1 0 332.381 2.214 10 5 EEBERO CO[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)[C@H]1CCOC1 ZINC000596319119 469242604 /nfs/dbraw/zinc/24/26/04/469242604.db2.gz UDQXLNHWYLBOPW-SJCJKPOMSA-N 1 0 331.372 2.337 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000596361137 469250031 /nfs/dbraw/zinc/25/00/31/469250031.db2.gz PTUYXCSKPFFQKM-NSHDSACASA-N 1 0 329.832 2.327 10 5 EEBERO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829350 469385331 /nfs/dbraw/zinc/38/53/31/469385331.db2.gz FZCOTUBCOKEZMB-LLVKDONJSA-N 1 0 329.360 2.359 10 5 EEBERO COc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610178059 469985816 /nfs/dbraw/zinc/98/58/16/469985816.db2.gz MXVSVKNZCSINID-JSGCOSHPSA-N 1 0 335.404 2.087 10 5 EEBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CC[N@@H+]1CCOC ZINC000175099611 529301646 /nfs/dbraw/zinc/30/16/46/529301646.db2.gz YXTXNOBHKSQYKM-HNNXBMFYSA-N 1 0 337.420 2.288 10 5 EEBERO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000732035072 577143245 /nfs/dbraw/zinc/14/32/45/577143245.db2.gz KSEPIGREQNAKON-GFCCVEGCSA-N 1 0 348.359 2.120 10 5 EEBERO CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000763472594 577721635 /nfs/dbraw/zinc/72/16/35/577721635.db2.gz ZOXOKPCGLRFXAG-JTQLQIEISA-N 1 0 325.315 2.182 10 5 EEBERO COCC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752059412 577765374 /nfs/dbraw/zinc/76/53/74/577765374.db2.gz ZBJOJBJNCQSGQZ-GRNBYLDVSA-N 1 0 347.415 2.225 10 5 EEBERO C[NH+](C)CCCCCOC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000747768223 577949790 /nfs/dbraw/zinc/94/97/90/577949790.db2.gz JQURKJAKCZBCBD-UHFFFAOYSA-N 1 0 347.375 2.064 10 5 EEBERO CC(=O)c1c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000896526236 685014611 /nfs/dbraw/zinc/01/46/11/685014611.db2.gz UXMWSJIAYBPSTF-AWEZNQCLSA-N 1 0 333.388 2.463 10 5 EEBERO [NH3+]C1CCN(CCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000721844969 688745135 /nfs/dbraw/zinc/74/51/35/688745135.db2.gz JVPXXESZNWKVJW-UHFFFAOYSA-N 1 0 343.225 2.192 10 5 EEBERO Cc1c[nH]nc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001266592079 1176902040 /nfs/dbraw/zinc/90/20/40/1176902040.db2.gz HXACFBWXYCINOR-UHFFFAOYSA-N 1 0 343.387 2.021 10 5 EEBERO Cc1ccccc1CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001691144147 1177635191 /nfs/dbraw/zinc/63/51/91/1177635191.db2.gz JHOKIPSSYMKHOJ-VDHUWJSZSA-N 1 0 345.443 2.077 10 5 EEBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)C(F)F ZINC001482207803 1184011185 /nfs/dbraw/zinc/01/11/85/1184011185.db2.gz BDZVDHKXEVYSKB-UHFFFAOYSA-N 1 0 333.360 2.440 10 5 EEBERO COCCC(=O)NCCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001270089052 1184837450 /nfs/dbraw/zinc/83/74/50/1184837450.db2.gz WVMZCADLIMBGRT-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccnn1CC ZINC001482919313 1187835465 /nfs/dbraw/zinc/83/54/65/1187835465.db2.gz KPEOQUASUUIMRN-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO Cc1noc(C)c1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001483714079 1190803164 /nfs/dbraw/zinc/80/31/64/1190803164.db2.gz OIMGACMAPYCEQV-UHFFFAOYSA-N 1 0 344.371 2.252 10 5 EEBERO O=C1OCC[C@@H]1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000872114082 1198048612 /nfs/dbraw/zinc/04/86/12/1198048612.db2.gz TWWJKVNTRKKPPB-MJBXVCDLSA-N 1 0 336.392 2.208 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCCS2)c1 ZINC000872223342 1198097223 /nfs/dbraw/zinc/09/72/23/1198097223.db2.gz GZZFAIVFDBXCPD-ZFWWWQNUSA-N 1 0 326.418 2.210 10 5 EEBERO CCc1nc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001273972779 1200166319 /nfs/dbraw/zinc/16/63/19/1200166319.db2.gz CQOOXQOHFAVNEL-ARJAWSKDSA-N 1 0 344.371 2.221 10 5 EEBERO CCC[NH+]1CCC(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000811787951 1200330217 /nfs/dbraw/zinc/33/02/17/1200330217.db2.gz UMUZJLSDPMWXHF-UHFFFAOYSA-N 1 0 348.403 2.460 10 5 EEBERO C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000870789742 1200881315 /nfs/dbraw/zinc/88/13/15/1200881315.db2.gz JJOMUBADQYLVGN-CHWSQXEVSA-N 1 0 338.408 2.333 10 5 EEBERO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C(C)(C)C ZINC000880612497 1201542114 /nfs/dbraw/zinc/54/21/14/1201542114.db2.gz IQPMPYWXBUMZDL-AWEZNQCLSA-N 1 0 345.403 2.273 10 5 EEBERO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881864147 1201778329 /nfs/dbraw/zinc/77/83/29/1201778329.db2.gz LTUZMLUHBPYJRI-NSHDSACASA-N 1 0 342.193 2.068 10 5 EEBERO CC(=O)c1c(NCCN2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000882055269 1201808952 /nfs/dbraw/zinc/80/89/52/1201808952.db2.gz JBQNXSWTRFIJAJ-UHFFFAOYSA-N 1 0 334.420 2.235 10 5 EEBERO CN(CC(=O)N1CCC(C)([NH+]2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000882504791 1201885858 /nfs/dbraw/zinc/88/58/58/1201885858.db2.gz FINIZQOJEGCZBR-UHFFFAOYSA-N 1 0 346.431 2.118 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928456066 1206387352 /nfs/dbraw/zinc/38/73/52/1206387352.db2.gz LIUOKNYHJJUMSG-GXTWGEPZSA-N 1 0 332.404 2.017 10 5 EEBERO COC[C@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000930587448 1206568688 /nfs/dbraw/zinc/56/86/88/1206568688.db2.gz BOPKEQLYFYOKGH-HNNXBMFYSA-N 1 0 349.431 2.271 10 5 EEBERO COC(=O)C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000932099871 1207536221 /nfs/dbraw/zinc/53/62/21/1207536221.db2.gz UFBPJEMABQWVKU-ZIAGYGMSSA-N 1 0 336.388 2.495 10 5 EEBERO O=C(CCN[C@@H]1CC[NH2+]C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903486856 1240627411 /nfs/dbraw/zinc/62/74/11/1240627411.db2.gz YOUSVESNIJFVPP-OAHLLOKOSA-N 1 0 332.404 2.188 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903533346 1240826571 /nfs/dbraw/zinc/82/65/71/1240826571.db2.gz FALKIPPDXLUVIB-NWDGAFQWSA-N 1 0 333.310 2.315 10 5 EEBERO O=C(COC1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001490997117 1258555770 /nfs/dbraw/zinc/55/57/70/1258555770.db2.gz IJYGQJBQAFGSOK-GASCZTMLSA-N 1 0 347.415 2.291 10 5 EEBERO COc1ccc(CN2CC[C@@H]2CNc2nn(C)cc2[N+](=O)[O-])cc1 ZINC001187081458 1279390251 /nfs/dbraw/zinc/39/02/51/1279390251.db2.gz LSADFHPEIRPWPI-CYBMUJFWSA-N 1 0 331.376 2.023 10 5 EEBERO CN(C)c1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC001191762680 1281578051 /nfs/dbraw/zinc/57/80/51/1281578051.db2.gz ATCNDRNXAHKTOQ-CQSZACIVSA-N 1 0 342.403 2.137 10 5 EEBERO CC(=O)c1ccc(N2CCO[C@@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000853990594 1292573379 /nfs/dbraw/zinc/57/33/79/1292573379.db2.gz QGVGKROVHLVIJH-HNNXBMFYSA-N 1 0 335.404 2.344 10 5 EEBERO Cn1ncc2c1CC(C)(C)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000854058297 1292601631 /nfs/dbraw/zinc/60/16/31/1292601631.db2.gz IYFAHEHWQAXROM-KRWDZBQOSA-N 1 0 344.415 2.446 10 5 EEBERO CC(C)(C)[C@H](C[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766927 1293911262 /nfs/dbraw/zinc/91/12/62/1293911262.db2.gz YNDFXTVCZJSWHI-NSHDSACASA-N 1 0 331.319 2.056 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928028 1294706822 /nfs/dbraw/zinc/70/68/22/1294706822.db2.gz YCWNLAJQYZHDLW-RYQLBKOJSA-N 1 0 339.395 2.492 10 5 EEBERO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001118914538 1308958660 /nfs/dbraw/zinc/95/86/60/1308958660.db2.gz AMUJOQYBJYEWKP-HOTGVXAUSA-N 1 0 347.415 2.011 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1sccc1Cl ZINC001265113467 1322926228 /nfs/dbraw/zinc/92/62/28/1322926228.db2.gz OJDAPANRMUWXQW-ZYHUDNBSSA-N 1 0 345.852 2.395 10 5 EEBERO C[N@H+](CCCNC(=O)Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC001265942500 1323505976 /nfs/dbraw/zinc/50/59/76/1323505976.db2.gz ICKNUMTVEYTLKR-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO C[N@H+](CCCNC(=O)Cc1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316867056 1331791804 /nfs/dbraw/zinc/79/18/04/1331791804.db2.gz VZHGAUKPKNUDSJ-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CCc1nc(C(=O)NCC[N@@H+](CC)Cc2cccc([N+](=O)[O-])c2)co1 ZINC001317475537 1332258878 /nfs/dbraw/zinc/25/88/78/1332258878.db2.gz WNUDMAOWTHYBEB-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccc(F)nc1 ZINC001317572371 1332303158 /nfs/dbraw/zinc/30/31/58/1332303158.db2.gz DHLSQFZAEPCFCT-UHFFFAOYSA-N 1 0 338.364 2.052 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC(F)(F)F ZINC001317578138 1332306065 /nfs/dbraw/zinc/30/60/65/1332306065.db2.gz HDAMEKQSNKSCSD-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO O=C(NC1(C[NH2+]CCc2ccccc2F)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001318632889 1332570657 /nfs/dbraw/zinc/57/06/57/1332570657.db2.gz QPDCCLJPFAEMQS-GDBMZVCRSA-N 1 0 349.406 2.052 10 5 EEBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC001323394288 1333454378 /nfs/dbraw/zinc/45/43/78/1333454378.db2.gz RHYZJTWGGFWXBP-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC001351798688 1337850817 /nfs/dbraw/zinc/85/08/17/1337850817.db2.gz CJQDNQLXSNWWLU-QWRGUYRKSA-N 1 0 347.462 2.116 10 5 EEBERO C[C@H]1CC[N@H+](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001618607810 1352351821 /nfs/dbraw/zinc/35/18/21/1352351821.db2.gz CYTXFVUBKJQOGP-QMMMGPOBSA-N 1 0 344.774 2.041 10 5 EEBERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001569788233 1342944400 /nfs/dbraw/zinc/94/44/00/1342944400.db2.gz SLICDYNANPBONK-JTQLQIEISA-N 1 0 343.815 2.212 10 5 EEBERO Nc1cc(CCCCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc[nH+]1 ZINC001649193025 1352401688 /nfs/dbraw/zinc/40/16/88/1352401688.db2.gz AMAHYYCZCFPNBJ-UHFFFAOYSA-N 1 0 346.362 2.393 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001624306774 1352418505 /nfs/dbraw/zinc/41/85/05/1352418505.db2.gz LOKIJUVNUBEUSS-MRXNPFEDSA-N 1 0 328.372 2.331 10 5 EEBERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001625521964 1352450695 /nfs/dbraw/zinc/45/06/95/1352450695.db2.gz FRDSOPVYDZJOSB-CYBMUJFWSA-N 1 0 342.399 2.427 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001628687720 1352540595 /nfs/dbraw/zinc/54/05/95/1352540595.db2.gz XFPKBHXWTGLWNB-LBPRGKRZSA-N 1 0 349.387 2.440 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)C1CCCC1 ZINC001654909797 1354161301 /nfs/dbraw/zinc/16/13/01/1354161301.db2.gz VPIZGXATBUQQFA-MRXNPFEDSA-N 1 0 335.404 2.373 10 5 EEBERO COC(=O)/C=C\c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000920337721 770678960 /nfs/dbraw/zinc/67/89/60/770678960.db2.gz XVZBPLHCUCLPRI-QTEJZOKPSA-N 1 0 331.372 2.430 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC001135924603 784805194 /nfs/dbraw/zinc/80/51/94/784805194.db2.gz RXIYZTFKWXEZGK-MRXNPFEDSA-N 1 0 342.399 2.201 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000824583105 788246365 /nfs/dbraw/zinc/24/63/65/788246365.db2.gz HZNGULXJQWOCKS-CQSZACIVSA-N 1 0 327.812 2.185 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000798215866 805384671 /nfs/dbraw/zinc/38/46/71/805384671.db2.gz RJUQFAJMNNNVGE-NSHDSACASA-N 1 0 329.372 2.247 10 5 EEBERO Cc1ccc(NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1Br ZINC000804614720 810978011 /nfs/dbraw/zinc/97/80/11/810978011.db2.gz BPSCLWPPYUZULD-ZDUSSCGKSA-N 1 0 344.209 2.144 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc([N+](=O)[O-])c1 ZINC001444662740 1099501211 /nfs/dbraw/zinc/50/12/11/1099501211.db2.gz KAYBUSSJHTWATO-OAHLLOKOSA-N 1 0 349.387 2.440 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Cc1cccnc1 ZINC001497372479 1102398527 /nfs/dbraw/zinc/39/85/27/1102398527.db2.gz YHEJRQOYHSXSCH-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO COc1cc(C(=O)N2CC[C@H](CC[NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC001455643507 1108770417 /nfs/dbraw/zinc/77/04/17/1108770417.db2.gz VAJCHZBFUUUOSZ-ZDUSSCGKSA-N 1 0 335.404 2.326 10 5 EEBERO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001466792676 1110443812 /nfs/dbraw/zinc/44/38/12/1110443812.db2.gz GOISNSPAGINCHE-LBPRGKRZSA-N 1 0 325.796 2.201 10 5 EEBERO Cc1csc([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC001473775507 1110580308 /nfs/dbraw/zinc/58/03/08/1110580308.db2.gz SOSDDAHVQVPOGT-ZDUSSCGKSA-N 1 0 346.412 2.448 10 5 EEBERO COCCC(=O)N1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001568074946 1124280538 /nfs/dbraw/zinc/28/05/38/1124280538.db2.gz KUKPCCINSXWVMB-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360587 214090859 /nfs/dbraw/zinc/09/08/59/214090859.db2.gz AKBYIMYPUUGCIU-QWRGUYRKSA-N 1 0 341.209 2.473 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)cc1OC(F)F ZINC000174685809 231279765 /nfs/dbraw/zinc/27/97/65/231279765.db2.gz UFHKUCJEKPZMLZ-LBPRGKRZSA-N 1 0 345.346 2.455 10 5 EEBERO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000069133133 215362351 /nfs/dbraw/zinc/36/23/51/215362351.db2.gz ZUWXOEOZTRAFPB-IUCAKERBSA-N 1 0 342.193 2.180 10 5 EEBERO CC(C)[NH2+]C[C@H](C)Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000070527305 215699343 /nfs/dbraw/zinc/69/93/43/215699343.db2.gz PFLLDIODMMPBLC-VIFPVBQESA-N 1 0 332.198 2.153 10 5 EEBERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000108782760 219920675 /nfs/dbraw/zinc/92/06/75/219920675.db2.gz QQXYIIYJJZYIEJ-NSHDSACASA-N 1 0 328.372 2.290 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000418990516 239392118 /nfs/dbraw/zinc/39/21/18/239392118.db2.gz CUKMQNJYVPNKEU-QWHCGFSZSA-N 1 0 330.388 2.034 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000418994882 239394491 /nfs/dbraw/zinc/39/44/91/239394491.db2.gz CCLWBFSAFOMOIE-WDEREUQCSA-N 1 0 345.346 2.088 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000423047683 240342059 /nfs/dbraw/zinc/34/20/59/240342059.db2.gz VIYJTMJTYDJURW-HZPDHXFCSA-N 1 0 339.823 2.147 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000080448894 217305332 /nfs/dbraw/zinc/30/53/32/217305332.db2.gz HTXILJOHNWJTIL-HUUCEWRRSA-N 1 0 348.447 2.220 10 5 EEBERO CNC(=O)CCOC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494964393 247043241 /nfs/dbraw/zinc/04/32/41/247043241.db2.gz OWMIUWLLFFCATK-CYBMUJFWSA-N 1 0 335.404 2.273 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000264953936 247082046 /nfs/dbraw/zinc/08/20/46/247082046.db2.gz WCPRBILKHMLZGE-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO COC(=O)c1cnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000276765795 256465901 /nfs/dbraw/zinc/46/59/01/256465901.db2.gz MRTHMXQBPBDQTP-KGLIPLIRSA-N 1 0 348.403 2.228 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247335055 160320464 /nfs/dbraw/zinc/32/04/64/160320464.db2.gz IXCYIELKHGXRAL-ZFWWWQNUSA-N 1 0 334.420 2.195 10 5 EEBERO CCOc1ccc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342459030 161066922 /nfs/dbraw/zinc/06/69/22/161066922.db2.gz BWQAXYYTJQQBSN-FZMZJTMJSA-N 1 0 333.388 2.206 10 5 EEBERO CO[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1C ZINC000342740206 161086994 /nfs/dbraw/zinc/08/69/94/161086994.db2.gz RATONQXXTRGACD-BLLLJJGKSA-N 1 0 349.387 2.250 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](CC4CCOCC4)CC3)nc2c1 ZINC000278396332 274351144 /nfs/dbraw/zinc/35/11/44/274351144.db2.gz GGTWCIKOGNVAQU-UHFFFAOYSA-N 1 0 345.403 2.020 10 5 EEBERO O=C1c2cccc3c([N+](=O)[O-])ccc(c32)C(=O)N1CC1CC[NH2+]CC1 ZINC000038287566 275031112 /nfs/dbraw/zinc/03/11/12/275031112.db2.gz HXYMANMNDMVKNF-UHFFFAOYSA-N 1 0 339.351 2.344 10 5 EEBERO COc1ccc(OCCN2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065767 275370688 /nfs/dbraw/zinc/37/06/88/275370688.db2.gz CYTQGOOPMUSJPA-QGZVFWFLSA-N 1 0 335.404 2.010 10 5 EEBERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284100035 293031589 /nfs/dbraw/zinc/03/15/89/293031589.db2.gz OLJOOWMQBZTJFU-JDFRZJQESA-N 1 0 349.431 2.395 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171043862 302705122 /nfs/dbraw/zinc/70/51/22/302705122.db2.gz WNEGXPDWQNNGBR-CQSZACIVSA-N 1 0 332.404 2.389 10 5 EEBERO Cc1c(NC(=O)N2CC[C@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415654409 313162001 /nfs/dbraw/zinc/16/20/01/313162001.db2.gz JJCBLJBKMYBROF-VIFPVBQESA-N 1 0 343.181 2.231 10 5 EEBERO Cc1c(Cl)cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000416506061 313241145 /nfs/dbraw/zinc/24/11/45/313241145.db2.gz DONCQCDHBZYUAI-UHFFFAOYSA-N 1 0 349.840 2.175 10 5 EEBERO CC1(C)NC(=O)CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562923537 318943638 /nfs/dbraw/zinc/94/36/38/318943638.db2.gz WHOQACPAOIXVFI-OAHLLOKOSA-N 1 0 330.388 2.265 10 5 EEBERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000574935455 320072626 /nfs/dbraw/zinc/07/26/26/320072626.db2.gz GYHWEEJJPIQWLA-RRQGHBQHSA-N 1 0 347.415 2.020 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000296028150 465056412 /nfs/dbraw/zinc/05/64/12/465056412.db2.gz ZNZRUGNRWBYLJY-ZFWWWQNUSA-N 1 0 347.415 2.499 10 5 EEBERO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000328564663 465062954 /nfs/dbraw/zinc/06/29/54/465062954.db2.gz KSCAFDCNQGSDFX-AWEZNQCLSA-N 1 0 325.368 2.302 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063645582 462659872 /nfs/dbraw/zinc/65/98/72/462659872.db2.gz VGJAYTABLJAWGK-LBPRGKRZSA-N 1 0 339.367 2.103 10 5 EEBERO O=C(NC1CC[NH+](C2CC2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129949656 462732910 /nfs/dbraw/zinc/73/29/10/462732910.db2.gz KDIGNAMJQXBLLV-UHFFFAOYSA-N 1 0 328.372 2.433 10 5 EEBERO CCC[N@@H+]1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000091457264 462880538 /nfs/dbraw/zinc/88/05/38/462880538.db2.gz DMPVWRUOJSRYMQ-NSHDSACASA-N 1 0 334.376 2.070 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136900166 463265382 /nfs/dbraw/zinc/26/53/82/463265382.db2.gz BWWKUCQLQXRGEX-CQSZACIVSA-N 1 0 347.415 2.134 10 5 EEBERO Cc1cccc(C[NH+]2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)c1 ZINC000170633464 463686423 /nfs/dbraw/zinc/68/64/23/463686423.db2.gz AJEPFLSFSJXPSF-UHFFFAOYSA-N 1 0 342.403 2.352 10 5 EEBERO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000255369552 463720899 /nfs/dbraw/zinc/72/08/99/463720899.db2.gz OCIFGQXEWAUHRW-CLUARGJDSA-N 1 0 331.416 2.261 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000193947761 463763764 /nfs/dbraw/zinc/76/37/64/463763764.db2.gz JWJNHDWWSDYRKB-LBPRGKRZSA-N 1 0 338.408 2.133 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177714242 463773477 /nfs/dbraw/zinc/77/34/77/463773477.db2.gz KOYSAFBCYYQKTM-BBRMVZONSA-N 1 0 334.420 2.338 10 5 EEBERO O=C(CC[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccccc1[N+](=O)[O-] ZINC000277019340 463845761 /nfs/dbraw/zinc/84/57/61/463845761.db2.gz ZNBGFZRNEJUTLM-UHFFFAOYSA-N 1 0 342.355 2.082 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000171939000 463953101 /nfs/dbraw/zinc/95/31/01/463953101.db2.gz SVIJCKMGUFMZAY-CQSZACIVSA-N 1 0 332.404 2.017 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172497232 464093167 /nfs/dbraw/zinc/09/31/67/464093167.db2.gz VRLHXAUAPFWNNP-QGZVFWFLSA-N 1 0 346.431 2.407 10 5 EEBERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000173279227 464229177 /nfs/dbraw/zinc/22/91/77/464229177.db2.gz JHUQBRQARRLYIT-CHWSQXEVSA-N 1 0 341.433 2.006 10 5 EEBERO NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271400388 464301347 /nfs/dbraw/zinc/30/13/47/464301347.db2.gz VQAKSBGHSBEWEW-GFCCVEGCSA-N 1 0 330.344 2.097 10 5 EEBERO C[C@@H]1[C@@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000359566256 465458715 /nfs/dbraw/zinc/45/87/15/465458715.db2.gz SAGFAXYLVIWNAO-NXEZZACHSA-N 1 0 343.330 2.361 10 5 EEBERO CCC(=O)c1ccc(N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000292787097 464341554 /nfs/dbraw/zinc/34/15/54/464341554.db2.gz MHYJINYVYRMTKC-FUHWJXTLSA-N 1 0 347.415 2.487 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000174126877 464365256 /nfs/dbraw/zinc/36/52/56/464365256.db2.gz UVEOSJIVVSHNBX-CQSZACIVSA-N 1 0 327.812 2.137 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000284961097 464407027 /nfs/dbraw/zinc/40/70/27/464407027.db2.gz KEODNFSCPYFJKR-HZPDHXFCSA-N 1 0 328.372 2.052 10 5 EEBERO Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000189132186 464440199 /nfs/dbraw/zinc/44/01/99/464440199.db2.gz TXQQDHADPYPRIX-CYBMUJFWSA-N 1 0 343.449 2.158 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189139130 464441730 /nfs/dbraw/zinc/44/17/30/464441730.db2.gz TZGUFBJRWGJTNS-CYBMUJFWSA-N 1 0 343.449 2.158 10 5 EEBERO C[C@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599909249 468411905 /nfs/dbraw/zinc/41/19/05/468411905.db2.gz VTMLJFGUKOZMKR-AFAVFJNCSA-N 1 0 332.404 2.297 10 5 EEBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000247313186 464667660 /nfs/dbraw/zinc/66/76/60/464667660.db2.gz RIIXWSNJKULJPJ-NHYWBVRUSA-N 1 0 348.359 2.059 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C)OCCCO1 ZINC000190660604 464697430 /nfs/dbraw/zinc/69/74/30/464697430.db2.gz FTVWAYXAIFZIGP-GFCCVEGCSA-N 1 0 337.376 2.055 10 5 EEBERO Cc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000182837310 464738876 /nfs/dbraw/zinc/73/88/76/464738876.db2.gz WNYIGTZXFUOECV-UHFFFAOYSA-N 1 0 331.376 2.038 10 5 EEBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183160573 464811912 /nfs/dbraw/zinc/81/19/12/464811912.db2.gz TVQMMDIKEDLWDD-ZIBATOQPSA-N 1 0 337.376 2.088 10 5 EEBERO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCCCO ZINC000276225885 464853641 /nfs/dbraw/zinc/85/36/41/464853641.db2.gz BTAWUIKHWFJWBT-SNVBAGLBSA-N 1 0 329.784 2.280 10 5 EEBERO Cc1c(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cccc1[N+](=O)[O-] ZINC000359554551 465452133 /nfs/dbraw/zinc/45/21/33/465452133.db2.gz WXDGTVCEWIDEJG-OAHLLOKOSA-N 1 0 330.388 2.059 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000600007038 468435140 /nfs/dbraw/zinc/43/51/40/468435140.db2.gz MEXYFSFBKPIBIA-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO C[C@@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000349157515 466000738 /nfs/dbraw/zinc/00/07/38/466000738.db2.gz YTOSZGRLBCZPME-BZNIZROVSA-N 1 0 335.379 2.390 10 5 EEBERO CNC(=O)C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000361644193 466171623 /nfs/dbraw/zinc/17/16/23/466171623.db2.gz PDIQXHDDAZXTBL-QGZVFWFLSA-N 1 0 343.383 2.441 10 5 EEBERO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000357850564 466263740 /nfs/dbraw/zinc/26/37/40/466263740.db2.gz AKWAXQYHZDPSHY-BLLLJJGKSA-N 1 0 345.403 2.058 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000363264158 466317814 /nfs/dbraw/zinc/31/78/14/466317814.db2.gz JGSQYPIRIIHWNT-UXIGCNINSA-N 1 0 333.388 2.092 10 5 EEBERO CCOc1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000358072691 466432462 /nfs/dbraw/zinc/43/24/62/466432462.db2.gz AUHAQHNNKNHTBY-UHFFFAOYSA-N 1 0 333.388 2.375 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC[C@H]1C ZINC000367660600 466476196 /nfs/dbraw/zinc/47/61/96/466476196.db2.gz IXHJCLMWXAQCPY-GFCCVEGCSA-N 1 0 337.376 2.043 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000372762402 466577335 /nfs/dbraw/zinc/57/73/35/466577335.db2.gz PHWXKYAGYAWDSV-LRDDRELGSA-N 1 0 330.388 2.079 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000347357111 466588734 /nfs/dbraw/zinc/58/87/34/466588734.db2.gz IRSAMNVKGPBUAS-MRXNPFEDSA-N 1 0 326.356 2.330 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417994060 467014746 /nfs/dbraw/zinc/01/47/46/467014746.db2.gz QQRYSDCLOUAKHW-GWCFXTLKSA-N 1 0 340.811 2.088 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000370996534 467067191 /nfs/dbraw/zinc/06/71/91/467067191.db2.gz DZNYPHDYZHPCQK-PBHICJAKSA-N 1 0 328.372 2.298 10 5 EEBERO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371017602 467072490 /nfs/dbraw/zinc/07/24/90/467072490.db2.gz KGQNCHLMXCEKKD-RISCZKNCSA-N 1 0 343.387 2.075 10 5 EEBERO Cc1nc(NCc2ccc(C[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000450226579 467803088 /nfs/dbraw/zinc/80/30/88/467803088.db2.gz LZSSQBQFPGKGKC-UHFFFAOYSA-N 1 0 327.388 2.901 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487738616 468051706 /nfs/dbraw/zinc/05/17/06/468051706.db2.gz KTARNSCNZODAKL-CYBMUJFWSA-N 1 0 332.404 2.070 10 5 EEBERO COc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591891594 468551860 /nfs/dbraw/zinc/55/18/60/468551860.db2.gz AAUODHBGWOTQCF-TZMCWYRMSA-N 1 0 333.388 2.208 10 5 EEBERO CNc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600471228 468567749 /nfs/dbraw/zinc/56/77/49/468567749.db2.gz KBVSAWHYFOOSDU-AWEZNQCLSA-N 1 0 332.404 2.383 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC3CCC2(C[NH3+])CC3)cccc1[N+](=O)[O-] ZINC000594532055 468616156 /nfs/dbraw/zinc/61/61/56/468616156.db2.gz ZZAGJDUXPLABKL-WRSVWVKZSA-N 1 0 346.431 2.434 10 5 EEBERO CN(C)C(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131043 468633445 /nfs/dbraw/zinc/63/34/45/468633445.db2.gz RNMHZFNWJDEUBI-WKILWMFISA-N 1 0 349.431 2.179 10 5 EEBERO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594964139 468732247 /nfs/dbraw/zinc/73/22/47/468732247.db2.gz OMXUATDAERHOBH-ZDUSSCGKSA-N 1 0 335.404 2.328 10 5 EEBERO CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598042279 468746956 /nfs/dbraw/zinc/74/69/56/468746956.db2.gz XAFWEMXGUDLAJT-CQSZACIVSA-N 1 0 335.404 2.225 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000601131472 468754986 /nfs/dbraw/zinc/75/49/86/468754986.db2.gz LRBXNROWDRDNSD-HIFRSBDPSA-N 1 0 338.383 2.309 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000601154903 468763722 /nfs/dbraw/zinc/76/37/22/468763722.db2.gz AVLNFAKCOYMPOL-VIFPVBQESA-N 1 0 335.330 2.268 10 5 EEBERO COc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000601188437 468776323 /nfs/dbraw/zinc/77/63/23/468776323.db2.gz GOEPROCFFRKZSF-OAHLLOKOSA-N 1 0 343.811 2.150 10 5 EEBERO O=[N+]([O-])c1cc(Br)cnc1N1CC([NH+]2CCCC2)C1 ZINC000601193360 468776676 /nfs/dbraw/zinc/77/66/76/468776676.db2.gz GLPDXCSTWVSXNX-UHFFFAOYSA-N 1 0 327.182 2.037 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595224806 468788897 /nfs/dbraw/zinc/78/88/97/468788897.db2.gz HINHEHFQCIWMFQ-CABCVRRESA-N 1 0 347.415 2.354 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000601335874 468830680 /nfs/dbraw/zinc/83/06/80/468830680.db2.gz ZDQDRNNXPZPDGM-ZFWWWQNUSA-N 1 0 343.387 2.219 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000593030949 468845516 /nfs/dbraw/zinc/84/55/16/468845516.db2.gz TULDVQHLFDHUJV-BPLDGKMQSA-N 1 0 334.372 2.285 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752707 468988184 /nfs/dbraw/zinc/98/81/84/468988184.db2.gz VNEYMLBJVOKWLG-PXAZEXFGSA-N 1 0 333.388 2.159 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755016 468990166 /nfs/dbraw/zinc/99/01/66/468990166.db2.gz DZEBXTIFKOVLCB-KGLIPLIRSA-N 1 0 326.368 2.406 10 5 EEBERO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@H+]1CCO ZINC000593482890 469001117 /nfs/dbraw/zinc/00/11/17/469001117.db2.gz UJKVQXDULDUPDL-BETUJISGSA-N 1 0 330.388 2.034 10 5 EEBERO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779456 469004757 /nfs/dbraw/zinc/00/47/57/469004757.db2.gz FFONUSSCLNECTK-QWHCGFSZSA-N 1 0 339.779 2.080 10 5 EEBERO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000595778761 469005087 /nfs/dbraw/zinc/00/50/87/469005087.db2.gz UZGMAGSNTKSZJZ-CABCVRRESA-N 1 0 349.431 2.472 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)n2)c1 ZINC000595835818 469034189 /nfs/dbraw/zinc/03/41/89/469034189.db2.gz VSMVUKQRUPZESH-CHWSQXEVSA-N 1 0 330.344 2.113 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000599011888 469087552 /nfs/dbraw/zinc/08/75/52/469087552.db2.gz BNGWXSVBHYDWPK-OAHLLOKOSA-N 1 0 342.399 2.444 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595930021 469087912 /nfs/dbraw/zinc/08/79/12/469087912.db2.gz MCVRRSWFWPHRJB-AAEUAGOBSA-N 1 0 343.387 2.194 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000599066498 469104889 /nfs/dbraw/zinc/10/48/89/469104889.db2.gz QMBULNFIXKTQRC-QXRTWZOPSA-N 1 0 334.416 2.436 10 5 EEBERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000599105244 469122098 /nfs/dbraw/zinc/12/20/98/469122098.db2.gz XLIDVYWAQNSWJE-UHFFFAOYSA-N 1 0 347.396 2.195 10 5 EEBERO COc1ccc(CN2CC[C@@H]2CNc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000599140412 469133779 /nfs/dbraw/zinc/13/37/79/469133779.db2.gz RUUJZDWCVYRBPS-CQSZACIVSA-N 1 0 345.403 2.332 10 5 EEBERO C[C@H](O)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066337 469137555 /nfs/dbraw/zinc/13/75/55/469137555.db2.gz CTRWEMOARWUJGJ-YEWWUXTCSA-N 1 0 346.383 2.046 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](C[C@@H]3CCOC3)CC1)CCCC2 ZINC000563037227 469147643 /nfs/dbraw/zinc/14/76/43/469147643.db2.gz XZNSOBDPLFACAS-AWEZNQCLSA-N 1 0 346.431 2.027 10 5 EEBERO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)[NH2+]1 ZINC000599179477 469152090 /nfs/dbraw/zinc/15/20/90/469152090.db2.gz HPMLBEDVCYHZJZ-DTWKUNHWSA-N 1 0 329.198 2.329 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639341 469319372 /nfs/dbraw/zinc/31/93/72/469319372.db2.gz CWOIJZZQLUNXSQ-GDZNZVCISA-N 1 0 333.388 2.016 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000599640313 469319906 /nfs/dbraw/zinc/31/99/06/469319906.db2.gz VACZTOFVTXPGAQ-SUNYJGFJSA-N 1 0 347.415 2.325 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000610135711 469983214 /nfs/dbraw/zinc/98/32/14/469983214.db2.gz IWISXNDDPHFQLT-WDEREUQCSA-N 1 0 347.462 2.150 10 5 EEBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451259995 536181538 /nfs/dbraw/zinc/18/15/38/536181538.db2.gz UBQBGOQPBYYQSU-CJNGLKHVSA-N 1 0 335.404 2.325 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000495154349 536885949 /nfs/dbraw/zinc/88/59/49/536885949.db2.gz GIFZKMWNLLMVKQ-UHFFFAOYSA-N 1 0 335.404 2.454 10 5 EEBERO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1 ZINC000731676762 577115956 /nfs/dbraw/zinc/11/59/56/577115956.db2.gz URGHHGOLKVETKT-IAGOWNOFSA-N 1 0 341.367 2.023 10 5 EEBERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591528 577463627 /nfs/dbraw/zinc/46/36/27/577463627.db2.gz IUOPSDFXFQUQGF-UKRRQHHQSA-N 1 0 336.388 2.292 10 5 EEBERO C/C(=C/C(=O)NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752317157 577769083 /nfs/dbraw/zinc/76/90/83/577769083.db2.gz NYWSMDLEVGKFQX-SEYXRHQNSA-N 1 0 335.429 2.163 10 5 EEBERO COCCC[N@H+](C)CCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752466905 577771366 /nfs/dbraw/zinc/77/13/66/577771366.db2.gz IRFINBWYGNLNPL-YPKPFQOOSA-N 1 0 335.404 2.083 10 5 EEBERO CC(=O)c1c(NC[C@H]2CC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000896526238 685014740 /nfs/dbraw/zinc/01/47/40/685014740.db2.gz UXMWSJIAYBPSTF-CQSZACIVSA-N 1 0 333.388 2.463 10 5 EEBERO COCCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001485657298 1191891520 /nfs/dbraw/zinc/89/15/20/1191891520.db2.gz JGWVESOHCVPIIZ-UHFFFAOYSA-N 1 0 347.415 2.056 10 5 EEBERO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)[nH]1 ZINC001690980408 1176414809 /nfs/dbraw/zinc/41/48/09/1176414809.db2.gz GSWRWUAPMNSTLC-UHFFFAOYSA-N 1 0 330.388 2.402 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccncc1F ZINC001481217922 1180315365 /nfs/dbraw/zinc/31/53/65/1180315365.db2.gz VGOLMAJNPZIWLG-UHFFFAOYSA-N 1 0 338.364 2.052 10 5 EEBERO CCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267729616 1180316764 /nfs/dbraw/zinc/31/67/64/1180316764.db2.gz CITMQRAVSFEDDH-HZPDHXFCSA-N 1 0 325.453 2.402 10 5 EEBERO Cc1conc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001268253928 1182084249 /nfs/dbraw/zinc/08/42/49/1182084249.db2.gz GGQALZREPYREHM-UHFFFAOYSA-N 1 0 332.360 2.095 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1nccs1 ZINC001268889184 1183793035 /nfs/dbraw/zinc/79/30/35/1183793035.db2.gz DZLWWNLRTNJFEU-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cncs1 ZINC001272041318 1187220090 /nfs/dbraw/zinc/22/00/90/1187220090.db2.gz QTEAXHKFYUJVKD-UHFFFAOYSA-N 1 0 348.428 2.184 10 5 EEBERO CC(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691694692 1190753676 /nfs/dbraw/zinc/75/36/76/1190753676.db2.gz QAGNMRJVJRFSSH-GASCZTMLSA-N 1 0 335.404 2.004 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ncccc1F ZINC001670876107 1190954716 /nfs/dbraw/zinc/95/47/16/1190954716.db2.gz FFRWSCHKLYTAEX-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001485250735 1191703983 /nfs/dbraw/zinc/70/39/83/1191703983.db2.gz QDURISVFODXGSR-ZIAGYGMSSA-N 1 0 339.461 2.296 10 5 EEBERO CCN(CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC000872024826 1198028735 /nfs/dbraw/zinc/02/87/35/1198028735.db2.gz WETQSVYTRKHFIR-NSHDSACASA-N 1 0 347.412 2.056 10 5 EEBERO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000872314162 1198142142 /nfs/dbraw/zinc/14/21/42/1198142142.db2.gz YZFWTZOZBGSEHW-HIFRSBDPSA-N 1 0 339.779 2.488 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870995257 1200996982 /nfs/dbraw/zinc/99/69/82/1200996982.db2.gz ICXMBKUMZWZYSD-KRWDZBQOSA-N 1 0 335.404 2.441 10 5 EEBERO COc1cccc(N(C)CC[NH+]2CC3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000866257434 1201477720 /nfs/dbraw/zinc/47/77/20/1201477720.db2.gz HIBFNLBFHAZGMI-UHFFFAOYSA-N 1 0 335.404 2.152 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H](O)C(F)F)CC2)cc1 ZINC000866442246 1201519013 /nfs/dbraw/zinc/51/90/13/1201519013.db2.gz HSVJIYCFOCBSDP-AWEZNQCLSA-N 1 0 329.347 2.169 10 5 EEBERO Cc1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000869053355 1201930051 /nfs/dbraw/zinc/93/00/51/1201930051.db2.gz KSCIJEKCKXMSSY-UHFFFAOYSA-N 1 0 334.420 2.386 10 5 EEBERO Cc1c(CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cccc1[N+](=O)[O-] ZINC000928104954 1206345789 /nfs/dbraw/zinc/34/57/89/1206345789.db2.gz QWDRUEDZUUHXOH-HOCLYGCPSA-N 1 0 349.456 2.142 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000928450362 1206386426 /nfs/dbraw/zinc/38/64/26/1206386426.db2.gz IANPJWABISQSLE-WFASDCNBSA-N 1 0 332.404 2.017 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)C3(O)CCCC3)C2)cc1 ZINC000930641226 1206572524 /nfs/dbraw/zinc/57/25/24/1206572524.db2.gz WQGCQYVLFDCOON-NVXWUHKLSA-N 1 0 334.416 2.440 10 5 EEBERO C[C@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CS1(=O)=O ZINC000850367762 1277202608 /nfs/dbraw/zinc/20/26/08/1277202608.db2.gz CWSCIUNAWPAXSL-GXSJLCMTSA-N 1 0 332.809 2.304 10 5 EEBERO O=C(NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cocn1 ZINC001490367140 1291247955 /nfs/dbraw/zinc/24/79/55/1291247955.db2.gz KPOCQYYHNULANU-UHFFFAOYSA-N 1 0 344.371 2.367 10 5 EEBERO C[C@@H]([NH3+])C1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857763922 1293910679 /nfs/dbraw/zinc/91/06/79/1293910679.db2.gz AWPZGJGTDJHJIG-SNVBAGLBSA-N 1 0 343.330 2.152 10 5 EEBERO Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858041264 1293992545 /nfs/dbraw/zinc/99/25/45/1293992545.db2.gz JIPQGXQODDJEHL-IAGOWNOFSA-N 1 0 343.383 2.485 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861499167 1295424609 /nfs/dbraw/zinc/42/46/09/1295424609.db2.gz XLZOUBSFUVUZAZ-NSHDSACASA-N 1 0 343.811 2.071 10 5 EEBERO Cc1ccc(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001123345028 1310531243 /nfs/dbraw/zinc/53/12/43/1310531243.db2.gz DTMFLZFBWXHGDE-OAHLLOKOSA-N 1 0 334.372 2.313 10 5 EEBERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001142620137 1315679430 /nfs/dbraw/zinc/67/94/30/1315679430.db2.gz ANLYZUWOPWSMMS-GFCCVEGCSA-N 1 0 325.796 2.343 10 5 EEBERO Cc1ccc(CNC(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001261875927 1322192602 /nfs/dbraw/zinc/19/26/02/1322192602.db2.gz VBPVHBNRRKZOOA-UHFFFAOYSA-N 1 0 334.420 2.434 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001262265232 1322265783 /nfs/dbraw/zinc/26/57/83/1322265783.db2.gz NOEUNXOWNSIBMJ-LSDHHAIUSA-N 1 0 335.379 2.410 10 5 EEBERO O=C(NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cn[nH]c1 ZINC001265155123 1322953238 /nfs/dbraw/zinc/95/32/38/1322953238.db2.gz OTIRCVWTLAHTRC-UHFFFAOYSA-N 1 0 343.387 2.102 10 5 EEBERO Cc1ncsc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001317569343 1332302469 /nfs/dbraw/zinc/30/24/69/1332302469.db2.gz KYESPDWYLYTKDX-UHFFFAOYSA-N 1 0 340.430 2.283 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001352562398 1337981589 /nfs/dbraw/zinc/98/15/89/1337981589.db2.gz BVQBHEUREPCOKH-DLBZAZTESA-N 1 0 347.415 2.011 10 5 EEBERO C[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557504 1338720905 /nfs/dbraw/zinc/72/09/05/1338720905.db2.gz IJNFXPAJKNFQAT-YIYPIFLZSA-N 1 0 336.436 2.325 10 5 EEBERO O=[N+]([O-])c1ccc(CN2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c(F)c1 ZINC001620641578 1352361301 /nfs/dbraw/zinc/36/13/01/1352361301.db2.gz RFKMJJHTXQAOKX-CALCHBBNSA-N 1 0 338.379 2.081 10 5 EEBERO CC(C)(C)CC[NH+]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001626402733 1352461760 /nfs/dbraw/zinc/46/17/60/1352461760.db2.gz XDPGMDDTUMBVBZ-UHFFFAOYSA-N 1 0 343.815 2.165 10 5 EEBERO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC001630594764 1352571468 /nfs/dbraw/zinc/57/14/68/1352571468.db2.gz URQKIRPQLQKPBP-MNOVXSKESA-N 1 0 335.408 2.044 10 5 EEBERO C[C@H](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C[NH+]1CCOCC1 ZINC001643823064 1352752524 /nfs/dbraw/zinc/75/25/24/1352752524.db2.gz JLGUABCCWRRFSJ-AWEZNQCLSA-N 1 0 330.388 2.427 10 5 EEBERO O=c1[nH]ccc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001652342133 1354088753 /nfs/dbraw/zinc/08/87/53/1354088753.db2.gz IANGCSIVJPRBKA-LBPRGKRZSA-N 1 0 334.763 2.500 10 5 EEBERO CCOCC(=O)N1CCC(CC)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001673580667 1356715033 /nfs/dbraw/zinc/71/50/33/1356715033.db2.gz PPRZZBVIFQNTDU-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO Cc1c(CNC(=O)NCc2cc(N(C)C)cc[nH+]2)cccc1[N+](=O)[O-] ZINC001681341265 1357982689 /nfs/dbraw/zinc/98/26/89/1357982689.db2.gz YMVAILATUIQATK-UHFFFAOYSA-N 1 0 343.387 2.364 10 5 EEBERO C[C@@H](CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC001685531371 1358334423 /nfs/dbraw/zinc/33/44/23/1358334423.db2.gz CIIZBALGEVPHDA-IYOUNJFTSA-N 1 0 346.431 2.291 10 5 EEBERO CC(C)(O)CC(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001699771048 1405479222 /nfs/dbraw/zinc/47/92/22/1405479222.db2.gz WLYSEYZXKLZPEK-UHFFFAOYSA-N 1 0 349.431 2.227 10 5 EEBERO CC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000846947050 790766446 /nfs/dbraw/zinc/76/64/46/790766446.db2.gz PZTIHDJABKNQCI-UHFFFAOYSA-N 1 0 337.351 2.364 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001136669056 787557619 /nfs/dbraw/zinc/55/76/19/787557619.db2.gz NQWJHTIORLEJMH-ZFWWWQNUSA-N 1 0 335.404 2.210 10 5 EEBERO Cc1cc(F)cc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913282384 788759780 /nfs/dbraw/zinc/75/97/80/788759780.db2.gz GMLBSIASIMUCEJ-IAGOWNOFSA-N 1 0 335.379 2.456 10 5 EEBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)C1C[NH+](C2CCCCC2)C1 ZINC001144413487 789740831 /nfs/dbraw/zinc/74/08/31/789740831.db2.gz NKCXYTQIVZCPLG-UHFFFAOYSA-N 1 0 347.415 2.354 10 5 EEBERO Cc1cc(OCC(=O)NCc2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC001129666361 810945606 /nfs/dbraw/zinc/94/56/06/810945606.db2.gz AXIDUJBWYFVLSI-UHFFFAOYSA-N 1 0 340.339 2.246 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001441526243 1095232245 /nfs/dbraw/zinc/23/22/45/1095232245.db2.gz WVGPOMKXEKYNMW-SNVBAGLBSA-N 1 0 343.815 2.356 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497572313 1102683787 /nfs/dbraw/zinc/68/37/87/1102683787.db2.gz LEXZQFZYUHPPSF-YKNGABIKSA-N 1 0 340.383 2.398 10 5 EEBERO Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c(C)c1 ZINC001493371512 1108006690 /nfs/dbraw/zinc/00/66/90/1108006690.db2.gz YPGVUBBDZVZRHA-IAGOWNOFSA-N 1 0 331.416 2.049 10 5 EEBERO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001460543276 1110307549 /nfs/dbraw/zinc/30/75/49/1110307549.db2.gz VADQURDJZGJDQS-CYBMUJFWSA-N 1 0 344.371 2.484 10 5 EEBERO C[C@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460686900 1110321109 /nfs/dbraw/zinc/32/11/09/1110321109.db2.gz SHYNDWUVBNEIDN-RYUDHWBXSA-N 1 0 329.360 2.243 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC001466316359 1110433370 /nfs/dbraw/zinc/43/33/70/1110433370.db2.gz QQSLNTUHSOBWKA-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO C[C@@H](CC[NH+](C)C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471818815 1110532150 /nfs/dbraw/zinc/53/21/50/1110532150.db2.gz JFMRGXSGSIOCJF-LBPRGKRZSA-N 1 0 347.419 2.108 10 5 EEBERO CC(C)(O)CC(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001508203336 1115443119 /nfs/dbraw/zinc/44/31/19/1115443119.db2.gz QPODQSATQDVENK-UHFFFAOYSA-N 1 0 347.415 2.004 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC001538532530 1124029477 /nfs/dbraw/zinc/02/94/77/1124029477.db2.gz ANKLDZCVSUSUOF-CQSZACIVSA-N 1 0 332.404 2.389 10 5 EEBERO COc1ccc(C[NH+](C)C)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001540590969 1124087558 /nfs/dbraw/zinc/08/75/58/1124087558.db2.gz IEESKBSXVSPGBA-UHFFFAOYSA-N 1 0 346.343 2.018 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC001543869746 1124135853 /nfs/dbraw/zinc/13/58/53/1124135853.db2.gz ZCCUIXAPWGNPPC-AWEZNQCLSA-N 1 0 332.404 2.246 10 5 EEBERO O=C(CC(F)(F)F)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001568824278 1124843035 /nfs/dbraw/zinc/84/30/35/1124843035.db2.gz XZVVRJKXQCKRTK-UPHRSURJSA-N 1 0 331.294 2.309 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000191611436 237262680 /nfs/dbraw/zinc/26/26/80/237262680.db2.gz SKLLWPXBCRAOLH-UHFFFAOYSA-N 1 0 337.424 2.197 10 5 EEBERO C[C@H](C[NH3+])CNc1ccc(I)cc1[N+](=O)[O-] ZINC000420212396 239684706 /nfs/dbraw/zinc/68/47/06/239684706.db2.gz GSGNXRKKQGLPEF-SSDOTTSWSA-N 1 0 335.145 2.206 10 5 EEBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425348936 241134398 /nfs/dbraw/zinc/13/43/98/241134398.db2.gz CWBBIWUMMLSVFV-VIFPVBQESA-N 1 0 339.302 2.304 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195070815 160206327 /nfs/dbraw/zinc/20/63/27/160206327.db2.gz PUDKPJIDVLXFEZ-AWEZNQCLSA-N 1 0 332.404 2.094 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000246306935 160273221 /nfs/dbraw/zinc/27/32/21/160273221.db2.gz QIJBHLGBRZQLNE-WMLDXEAASA-N 1 0 342.399 2.457 10 5 EEBERO O=C(CCN1CC[N@@H+]2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000248372205 160342448 /nfs/dbraw/zinc/34/24/48/160342448.db2.gz ZQEMSRCMMZZATB-INIZCTEOSA-N 1 0 332.404 2.094 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000342346806 161058091 /nfs/dbraw/zinc/05/80/91/161058091.db2.gz IXOYQESRPXTBHB-NSHDSACASA-N 1 0 338.408 2.473 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355269409 163129699 /nfs/dbraw/zinc/12/96/99/163129699.db2.gz CILWWWAWAIATMS-HNNXBMFYSA-N 1 0 342.399 2.280 10 5 EEBERO CN(CC[NH+]1CCCC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358973151 164026668 /nfs/dbraw/zinc/02/66/68/164026668.db2.gz HOMCNOLBHADNGY-UHFFFAOYSA-N 1 0 343.330 2.364 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000359035078 164042390 /nfs/dbraw/zinc/04/23/90/164042390.db2.gz ASDACNXYXGAXPB-GFCCVEGCSA-N 1 0 343.330 2.266 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000360090717 164229803 /nfs/dbraw/zinc/22/98/03/164229803.db2.gz YOKZFIRYHTVULK-UHFFFAOYSA-N 1 0 349.387 2.044 10 5 EEBERO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000364416421 165129802 /nfs/dbraw/zinc/12/98/02/165129802.db2.gz NKMCSXVZFXHTHB-UHFFFAOYSA-N 1 0 327.388 2.486 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CC[NH2+]CC1 ZINC000036813370 275041644 /nfs/dbraw/zinc/04/16/44/275041644.db2.gz NJABTWHKESJNKE-UHFFFAOYSA-N 1 0 337.177 2.315 10 5 EEBERO COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC[NH+](C)CC1 ZINC000291287360 275290303 /nfs/dbraw/zinc/29/03/03/275290303.db2.gz SIWMIDWGRCFTCP-UHFFFAOYSA-N 1 0 349.431 2.476 10 5 EEBERO CC[NH+](CC)CC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420592274 276095747 /nfs/dbraw/zinc/09/57/47/276095747.db2.gz YFFIISLJXSLHGS-UHFFFAOYSA-N 1 0 334.420 2.252 10 5 EEBERO Cc1c(NC(=O)NCC2C[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415660199 313164127 /nfs/dbraw/zinc/16/41/27/313164127.db2.gz PHOBMKWGBGNQDF-UHFFFAOYSA-N 1 0 343.181 2.007 10 5 EEBERO C[C@H](CC[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415709341 313170258 /nfs/dbraw/zinc/17/02/58/313170258.db2.gz YFWFQLOLZWICHK-SSDOTTSWSA-N 1 0 331.170 2.216 10 5 EEBERO O=[N+]([O-])c1cnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000520994324 316888035 /nfs/dbraw/zinc/88/80/35/316888035.db2.gz PLGFHRAUOKLHJI-AWEZNQCLSA-N 1 0 338.383 2.210 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710718 449390270 /nfs/dbraw/zinc/39/02/70/449390270.db2.gz NLQSEKINNPFYSF-ZDUSSCGKSA-N 1 0 331.376 2.061 10 5 EEBERO C[N+]1(C)CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000000077 462540272 /nfs/dbraw/zinc/54/02/72/462540272.db2.gz DKSDLGLRESJFOT-SFHVURJKSA-N 1 0 326.416 2.314 10 5 in-man EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268990 462582822 /nfs/dbraw/zinc/58/28/22/462582822.db2.gz BDXGPMUBGQHVGJ-GOEBONIOSA-N 1 0 346.431 2.400 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000113267970 462583643 /nfs/dbraw/zinc/58/36/43/462583643.db2.gz WVZMDKRMINSVQK-IUODEOHRSA-N 1 0 343.387 2.313 10 5 EEBERO CN1CC[NH+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000065568617 462799447 /nfs/dbraw/zinc/79/94/47/462799447.db2.gz AXHQAUIVERWFMR-CQSZACIVSA-N 1 0 336.411 2.198 10 5 EEBERO COc1cc(C[NH2+][C@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000077423129 462983519 /nfs/dbraw/zinc/98/35/19/462983519.db2.gz GPZYNPJHMYUCEW-DTWKUNHWSA-N 1 0 334.319 2.311 10 5 EEBERO CC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000105836978 463476298 /nfs/dbraw/zinc/47/62/98/463476298.db2.gz LYENHZZZNAPDCG-HNNXBMFYSA-N 1 0 337.420 2.016 10 5 EEBERO CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000105837206 463476438 /nfs/dbraw/zinc/47/64/38/463476438.db2.gz IVLNGJRZIXXZDL-OAHLLOKOSA-N 1 0 337.420 2.016 10 5 EEBERO COCC[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000105834091 463476906 /nfs/dbraw/zinc/47/69/06/463476906.db2.gz MYUQPJYRRJIRPY-OAHLLOKOSA-N 1 0 337.420 2.016 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000107894097 463586079 /nfs/dbraw/zinc/58/60/79/463586079.db2.gz JSXFDGHAHYBBGY-CQSZACIVSA-N 1 0 334.420 2.245 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000269499589 464001996 /nfs/dbraw/zinc/00/19/96/464001996.db2.gz MVCSIJQADLUKFP-RYUDHWBXSA-N 1 0 337.424 2.244 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179753066 464180793 /nfs/dbraw/zinc/18/07/93/464180793.db2.gz ILVVKQGAYLFZHQ-GFCCVEGCSA-N 1 0 326.356 2.063 10 5 EEBERO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000281310631 464408916 /nfs/dbraw/zinc/40/89/16/464408916.db2.gz IBPXGRDTEBPAAM-IWCQGFGOSA-N 1 0 349.431 2.018 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000175189915 464501255 /nfs/dbraw/zinc/50/12/55/464501255.db2.gz YJBAQKVTCCDJHU-CQSZACIVSA-N 1 0 337.420 2.146 10 5 EEBERO Cc1c(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000599918906 468413719 /nfs/dbraw/zinc/41/37/19/468413719.db2.gz SOMIZQUBHLGHSP-CALCHBBNSA-N 1 0 332.404 2.044 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294949342 464658960 /nfs/dbraw/zinc/65/89/60/464658960.db2.gz NTUCRBUCCDIIMU-CYBMUJFWSA-N 1 0 335.404 2.404 10 5 EEBERO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295193059 464740060 /nfs/dbraw/zinc/74/00/60/464740060.db2.gz JQLPWEOCQFIDSF-AWEZNQCLSA-N 1 0 337.376 2.089 10 5 EEBERO CNc1cc(N2CCC[C@H]2CNc2cc(C)c([N+](=O)[O-])cn2)ncn1 ZINC000266841499 464841370 /nfs/dbraw/zinc/84/13/70/464841370.db2.gz MQYLJAGAPMPTQG-LBPRGKRZSA-N 1 0 343.391 2.211 10 5 EEBERO C[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000177146404 464943682 /nfs/dbraw/zinc/94/36/82/464943682.db2.gz HYVDMAKQAZQCRZ-QWRGUYRKSA-N 1 0 328.372 2.431 10 5 EEBERO COCC[N@@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276548822 464975413 /nfs/dbraw/zinc/97/54/13/464975413.db2.gz FAPUIKRSKOBQPY-UHFFFAOYSA-N 1 0 330.388 2.302 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000358795432 465327213 /nfs/dbraw/zinc/32/72/13/465327213.db2.gz YSSBWEVLVJEESN-JTQLQIEISA-N 1 0 333.348 2.006 10 5 EEBERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593919262 468433271 /nfs/dbraw/zinc/43/32/71/468433271.db2.gz POCYBBHYZSTVGK-UXLLHSPISA-N 1 0 347.415 2.404 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000593919282 468433394 /nfs/dbraw/zinc/43/33/94/468433394.db2.gz PSSRLQYLXHWJDV-OIISXLGYSA-N 1 0 347.415 2.025 10 5 EEBERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331104024 465935462 /nfs/dbraw/zinc/93/54/62/465935462.db2.gz FJFKLPIZQJWYKR-LLVKDONJSA-N 1 0 341.358 2.216 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000591504116 468478525 /nfs/dbraw/zinc/47/85/25/468478525.db2.gz FKEXKMNMVUWTIY-ZDUSSCGKSA-N 1 0 336.388 2.366 10 5 EEBERO Nc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600227763 468500708 /nfs/dbraw/zinc/50/07/08/468500708.db2.gz FYXKEHCMFBESFZ-ZDUSSCGKSA-N 1 0 332.404 2.314 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229912 468501735 /nfs/dbraw/zinc/50/17/35/468501735.db2.gz XIKOHYYCRDIWLR-OAHLLOKOSA-N 1 0 347.415 2.497 10 5 EEBERO COc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000372994399 466658008 /nfs/dbraw/zinc/65/80/08/466658008.db2.gz ALFNVSAPZLMEOW-UHFFFAOYSA-N 1 0 333.388 2.350 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415668050 466705970 /nfs/dbraw/zinc/70/59/70/466705970.db2.gz ZBSLQNOTTGFPAW-BDJLRTHQSA-N 1 0 336.392 2.442 10 5 EEBERO O=C(CC[N@@H+]1CCO[C@@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000411857991 466918773 /nfs/dbraw/zinc/91/87/73/466918773.db2.gz XIKHKIAKPSHYRC-MRXNPFEDSA-N 1 0 333.388 2.424 10 5 EEBERO C[C@H]1C[N@H+](CCO)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000452135702 467334698 /nfs/dbraw/zinc/33/46/98/467334698.db2.gz WJUYYKAIIYNNNF-NSHDSACASA-N 1 0 347.337 2.112 10 5 EEBERO CN(C(=O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409940 467398862 /nfs/dbraw/zinc/39/88/62/467398862.db2.gz XRNSVRHZMNAKBR-RHSMWYFYSA-N 1 0 346.431 2.022 10 5 EEBERO O=[N+]([O-])c1cccc2c1ccnc2NCCCC[NH+]1CCOCC1 ZINC000450256514 467809827 /nfs/dbraw/zinc/80/98/27/467809827.db2.gz QPDBZLZKGJFOJB-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000450345939 467831619 /nfs/dbraw/zinc/83/16/19/467831619.db2.gz GPLJVSNDLOCBRO-NVXWUHKLSA-N 1 0 342.399 2.285 10 5 EEBERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000531615717 468065756 /nfs/dbraw/zinc/06/57/56/468065756.db2.gz ANPAINFNCWISMA-CYBMUJFWSA-N 1 0 338.408 2.235 10 5 EEBERO COc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474524 468568708 /nfs/dbraw/zinc/56/87/08/468568708.db2.gz XVGFRLJGVGRHHQ-CQSZACIVSA-N 1 0 333.388 2.350 10 5 EEBERO COC1CC[NH+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591921426 468569864 /nfs/dbraw/zinc/56/98/64/468569864.db2.gz NANPBMFEJJQNGW-UHFFFAOYSA-N 1 0 334.420 2.391 10 5 EEBERO [NH3+][C@@H]1CCCCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000600959189 468697268 /nfs/dbraw/zinc/69/72/68/468697268.db2.gz SMAXMDZMIHZWFQ-SECBINFHSA-N 1 0 329.198 2.460 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC(C[NH+](C)C)CC1 ZINC000601105097 468742373 /nfs/dbraw/zinc/74/23/73/468742373.db2.gz UWHCFWXHCLHILE-UHFFFAOYSA-N 1 0 335.330 2.125 10 5 EEBERO COC[C@@H](CC1CCOCC1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000595019281 468743731 /nfs/dbraw/zinc/74/37/31/468743731.db2.gz LQIQTEGIIFEBSK-OAHLLOKOSA-N 1 0 338.404 2.395 10 5 EEBERO Cn1cnc2cc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000601149829 468761594 /nfs/dbraw/zinc/76/15/94/468761594.db2.gz QDXWDENWQIYBCJ-GOSISDBHSA-N 1 0 340.383 2.479 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000593030099 468845625 /nfs/dbraw/zinc/84/56/25/468845625.db2.gz KIXNVJCUVGGKJX-BMFZPTHFSA-N 1 0 346.383 2.429 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595749389 468986075 /nfs/dbraw/zinc/98/60/75/468986075.db2.gz FTSVFERAMQFEOT-SFHVURJKSA-N 1 0 347.415 2.469 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000593455480 468987495 /nfs/dbraw/zinc/98/74/95/468987495.db2.gz UUOCKVNUQXXZER-HNNXBMFYSA-N 1 0 342.399 2.444 10 5 EEBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC2(COC2)C1 ZINC000595834497 469033106 /nfs/dbraw/zinc/03/31/06/469033106.db2.gz PGWYNRCPMKXYTA-NSHDSACASA-N 1 0 330.344 2.428 10 5 EEBERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598971830 469072777 /nfs/dbraw/zinc/07/27/77/469072777.db2.gz GKVAPYGYBWAEAN-RLCCDNCMSA-N 1 0 338.429 2.393 10 5 EEBERO Nc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000587973466 469097729 /nfs/dbraw/zinc/09/77/29/469097729.db2.gz HQXYEFLFQHXGGF-AWEZNQCLSA-N 1 0 334.420 2.124 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000599051414 469100396 /nfs/dbraw/zinc/10/03/96/469100396.db2.gz SKMMWHRTBZMHLQ-CQSZACIVSA-N 1 0 342.399 2.302 10 5 EEBERO Cc1c(Br)c(NCCC[NH2+]C(C)C)ncc1[N+](=O)[O-] ZINC000573467460 469140873 /nfs/dbraw/zinc/14/08/73/469140873.db2.gz AIZCUUBHTYNVGH-UHFFFAOYSA-N 1 0 331.214 2.861 10 5 EEBERO COc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596124521 469166996 /nfs/dbraw/zinc/16/69/96/469166996.db2.gz XOPJGAQBTJHZLZ-LLVKDONJSA-N 1 0 342.827 2.305 10 5 EEBERO CCN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596517538 469290340 /nfs/dbraw/zinc/29/03/40/469290340.db2.gz LVRKOTVHWFLHIK-MRXNPFEDSA-N 1 0 334.420 2.263 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000611614850 469292563 /nfs/dbraw/zinc/29/25/63/469292563.db2.gz OLJPTONSIWKYCG-JTQLQIEISA-N 1 0 329.303 2.020 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000615761580 469310381 /nfs/dbraw/zinc/31/03/81/469310381.db2.gz JZRYXIHCSZTBFC-NSHDSACASA-N 1 0 342.417 2.079 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000610242408 469991689 /nfs/dbraw/zinc/99/16/89/469991689.db2.gz VTNSYDROJOMZJG-UHFFFAOYSA-N 1 0 349.431 2.384 10 5 EEBERO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276954 577456541 /nfs/dbraw/zinc/45/65/41/577456541.db2.gz MIVXJMODZMMLMV-IEBWSBKVSA-N 1 0 343.427 2.391 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721491 684699565 /nfs/dbraw/zinc/69/95/65/684699565.db2.gz BZFSAEKDVAPISI-OICCZTGUSA-N 1 0 332.400 2.471 10 5 EEBERO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](CCCCCO)CC1 ZINC000931491552 688168514 /nfs/dbraw/zinc/16/85/14/688168514.db2.gz ADECCLANQCZSEQ-UHFFFAOYSA-N 1 0 325.384 2.014 10 5 EEBERO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903340037 694228545 /nfs/dbraw/zinc/22/85/45/694228545.db2.gz RKRYCQJUNAQVQA-STQMWFEESA-N 1 0 325.384 2.495 10 5 EEBERO Cc1cnccc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001670777035 1181403827 /nfs/dbraw/zinc/40/38/27/1181403827.db2.gz PVNQYRFPRGCFSZ-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO Cc1nc(C)c(C(=O)NCC=CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001268593275 1183406358 /nfs/dbraw/zinc/40/63/58/1183406358.db2.gz TXUDLJVVICLZCB-ONEGZZNKSA-N 1 0 343.387 2.011 10 5 EEBERO Cc1nc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001268787294 1183704978 /nfs/dbraw/zinc/70/49/78/1183704978.db2.gz DLYALMIYZALNJS-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC(C)SCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001269379429 1184219297 /nfs/dbraw/zinc/21/92/97/1184219297.db2.gz JRDGLZDDWMSJHP-UHFFFAOYSA-N 1 0 337.445 2.475 10 5 EEBERO CCn1cccc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001691605722 1188307337 /nfs/dbraw/zinc/30/73/37/1188307337.db2.gz DEBDLFONYBFCDT-UHFFFAOYSA-N 1 0 336.417 2.340 10 5 EEBERO Cc1cnccc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001483733205 1190843493 /nfs/dbraw/zinc/84/34/93/1190843493.db2.gz PYRWLUFYAYHKKW-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](C/C=C/Cl)CC2CC2)CC1 ZINC001483816138 1191060291 /nfs/dbraw/zinc/06/02/91/1191060291.db2.gz PRNSKUGUUJAWPC-WNBVEKQHSA-N 1 0 341.839 2.107 10 5 EEBERO O=C1OCC[C@@H]1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872117844 1198048973 /nfs/dbraw/zinc/04/89/73/1198048973.db2.gz RYFNVGRXLRGCGR-AWEZNQCLSA-N 1 0 347.415 2.497 10 5 EEBERO CCc1nc(C(=O)N(CC)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001273341320 1198244643 /nfs/dbraw/zinc/24/46/43/1198244643.db2.gz MYNZLTADGMMNAE-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865899921 1198418279 /nfs/dbraw/zinc/41/82/79/1198418279.db2.gz CPTIZNBCPSBCQX-JTQLQIEISA-N 1 0 342.346 2.089 10 5 EEBERO C[C@@]([NH3+])(C(=O)NC[C@@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000867979795 1201719309 /nfs/dbraw/zinc/71/93/09/1201719309.db2.gz KNCNCLCGCVRHBX-BBRMVZONSA-N 1 0 349.456 2.418 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000928441708 1206384347 /nfs/dbraw/zinc/38/43/47/1206384347.db2.gz TUELDBIFFDYBLX-KCJUWKMLSA-N 1 0 329.303 2.019 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000193282734 1210786284 /nfs/dbraw/zinc/78/62/84/1210786284.db2.gz CEXUGZKSWJHTIK-SNVBAGLBSA-N 1 0 349.840 2.208 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000855166580 1293098273 /nfs/dbraw/zinc/09/82/73/1293098273.db2.gz MBYORWUNPAPGHK-LLVKDONJSA-N 1 0 339.367 2.102 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)Nc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000798215865 1304950238 /nfs/dbraw/zinc/95/02/38/1304950238.db2.gz RJUQFAJMNNNVGE-LLVKDONJSA-N 1 0 329.372 2.247 10 5 EEBERO COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c([N+](=O)[O-])c1 ZINC001123425454 1310564365 /nfs/dbraw/zinc/56/43/65/1310564365.db2.gz KSEOFQGEDFMIGV-RAIGVLPGSA-N 1 0 334.376 2.065 10 5 EEBERO O=C(NCC[C@H]1CCC[NH2+]1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854492 1315623717 /nfs/dbraw/zinc/62/37/17/1315623717.db2.gz AXRXBKXICPSMIP-LLVKDONJSA-N 1 0 326.784 2.190 10 5 EEBERO C[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000841891816 1315631340 /nfs/dbraw/zinc/63/13/40/1315631340.db2.gz PMCCARPFBKBBLS-NEPJUHHUSA-N 1 0 327.812 2.135 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]nc(-c3nc(CC4CC[NH2+]CC4)no3)c2c1 ZINC000843132752 1315850920 /nfs/dbraw/zinc/85/09/20/1315850920.db2.gz JHJGSFWWZRRFLZ-UHFFFAOYSA-N 1 0 328.332 2.063 10 5 EEBERO O=C(Cc1ccc[nH]1)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001263880140 1322545632 /nfs/dbraw/zinc/54/56/32/1322545632.db2.gz DIPNYZUUVOUTKM-KOMQPUFPSA-N 1 0 342.399 2.150 10 5 EEBERO Cc1[nH]ccc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001265822493 1323402350 /nfs/dbraw/zinc/40/23/50/1323402350.db2.gz UCCWFZRJKOXKRQ-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001304580430 1331389402 /nfs/dbraw/zinc/38/94/02/1331389402.db2.gz BUFLJFGSXLQLHK-GFCCVEGCSA-N 1 0 325.796 2.391 10 5 EEBERO Cc1cnccc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317444707 1332244222 /nfs/dbraw/zinc/24/42/22/1332244222.db2.gz UFMRIBODIRVLQS-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO Cc1cnccc1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001321055297 1333007016 /nfs/dbraw/zinc/00/70/16/1333007016.db2.gz SMVLXPXHTRXDTD-PLNGDYQASA-N 1 0 340.383 2.374 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001329557101 1334673488 /nfs/dbraw/zinc/67/34/88/1334673488.db2.gz MBQLVXTYIABHHS-AWEZNQCLSA-N 1 0 332.404 2.383 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC001351798689 1337851034 /nfs/dbraw/zinc/85/10/34/1337851034.db2.gz CJQDNQLXSNWWLU-WDEREUQCSA-N 1 0 347.462 2.116 10 5 EEBERO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(c2nccn2C)CC1 ZINC001620549377 1352360434 /nfs/dbraw/zinc/36/04/34/1352360434.db2.gz ZSLMXYMCQRIIFS-ZDUSSCGKSA-N 1 0 330.388 2.373 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001620670127 1352361867 /nfs/dbraw/zinc/36/18/67/1352361867.db2.gz HUZXAUCCMFMOMQ-FZKQIMNGSA-N 1 0 344.415 2.474 10 5 EEBERO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C(=O)OC ZINC001654876083 1354160787 /nfs/dbraw/zinc/16/07/87/1354160787.db2.gz XDWQLHOUKNIJAG-UHFFFAOYSA-N 1 0 337.376 2.197 10 5 EEBERO CC[N@@H+]1CCC[C@H](Nc2c3cc(OC)ccc3ncc2[N+](=O)[O-])C1 ZINC001655896180 1354189071 /nfs/dbraw/zinc/18/90/71/1354189071.db2.gz BNQVKPYXZJPXQI-LBPRGKRZSA-N 1 0 330.388 2.470 10 5 EEBERO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(CF)CCC1 ZINC001661473350 1354643910 /nfs/dbraw/zinc/64/39/10/1354643910.db2.gz GVOBAUINEKJCAC-HDJSIYSDSA-N 1 0 335.379 2.471 10 5 EEBERO Cc1nn(CN2CCC[C@H](OC(F)F)C2)c2ncc([N+](=O)[O-])cc12 ZINC000781151240 782735487 /nfs/dbraw/zinc/73/54/87/782735487.db2.gz YUMYEZQQPRTVCM-NSHDSACASA-N 1 0 341.318 2.309 10 5 EEBERO C[C@@]1(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912373818 788146992 /nfs/dbraw/zinc/14/69/92/788146992.db2.gz GYFRUCDQQUIURQ-GOSISDBHSA-N 1 0 345.399 2.158 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001181840393 800929763 /nfs/dbraw/zinc/92/97/63/800929763.db2.gz RLJFEWLTCQHRJU-LBPRGKRZSA-N 1 0 344.371 2.015 10 5 EEBERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000712335777 803206682 /nfs/dbraw/zinc/20/66/82/803206682.db2.gz MHOFLMGWGKDRHZ-SNVBAGLBSA-N 1 0 342.193 2.181 10 5 EEBERO CC(C)(CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C[NH+]1CCCC1 ZINC000790818691 808941675 /nfs/dbraw/zinc/94/16/75/808941675.db2.gz TUAHUYKQPMGVGA-UHFFFAOYSA-N 1 0 348.403 2.460 10 5 EEBERO CC(C)Oc1cc(C(=O)N[C@@]23CC[N@H+](C2)CCC3)ccc1[N+](=O)[O-] ZINC001438613452 1091103412 /nfs/dbraw/zinc/10/34/12/1091103412.db2.gz OXCBUAPCRGCGQX-KRWDZBQOSA-N 1 0 333.388 2.350 10 5 EEBERO C[N@H+](CCCNC(=O)C(=O)C(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479761991 1098923894 /nfs/dbraw/zinc/92/38/94/1098923894.db2.gz FJATYCDXJBSHRI-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO C[N@H+](CCCNC(=O)Cc1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001479814418 1099082481 /nfs/dbraw/zinc/08/24/81/1099082481.db2.gz DCWXCZXJYJFPCM-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC001444666648 1099504352 /nfs/dbraw/zinc/50/43/52/1099504352.db2.gz GRKYSQMAUARMPD-SMDDNHRTSA-N 1 0 349.387 2.440 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)C(F)F ZINC001495115411 1100769322 /nfs/dbraw/zinc/76/93/22/1100769322.db2.gz LSVVZWGDYDTNPE-UHFFFAOYSA-N 1 0 327.331 2.379 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cncs1 ZINC001497406034 1102440750 /nfs/dbraw/zinc/44/07/50/1102440750.db2.gz GGBWUNSDUPZYKS-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)F)CC1 ZINC001497580803 1102694863 /nfs/dbraw/zinc/69/48/63/1102694863.db2.gz XXRWCHNTLKHLJY-UPHRSURJSA-N 1 0 339.342 2.402 10 5 EEBERO CC(C)(C)c1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001497585752 1102703516 /nfs/dbraw/zinc/70/35/16/1102703516.db2.gz YBFYGIGTLIHUMV-ADDHZHGLSA-N 1 0 345.443 2.411 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC001497591753 1102713503 /nfs/dbraw/zinc/71/35/03/1102713503.db2.gz VHALDRQQRHANLY-UPHRSURJSA-N 1 0 332.385 2.127 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccc1F ZINC001497713460 1102952681 /nfs/dbraw/zinc/95/26/81/1102952681.db2.gz HOCGLUPFQHTEGZ-ARJAWSKDSA-N 1 0 344.346 2.205 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001472811786 1110563698 /nfs/dbraw/zinc/56/36/98/1110563698.db2.gz PLJCUXZAGGHIPT-CABCVRRESA-N 1 0 327.388 2.039 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001472906035 1110565695 /nfs/dbraw/zinc/56/56/95/1110565695.db2.gz UQXFITWILVNTCQ-CQSZACIVSA-N 1 0 332.404 2.017 10 5 EEBERO CC(C)=CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001500557210 1112945021 /nfs/dbraw/zinc/94/50/21/1112945021.db2.gz RBANUXSNSPRWDV-UHFFFAOYSA-N 1 0 347.415 2.316 10 5 EEBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001521000644 1119207693 /nfs/dbraw/zinc/20/76/93/1119207693.db2.gz PQOIIITXGLISQV-LLVKDONJSA-N 1 0 333.392 2.321 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001529746748 1121567415 /nfs/dbraw/zinc/56/74/15/1121567415.db2.gz RIVFBTSFPGDIFH-UHFFFAOYSA-N 1 0 333.348 2.160 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1ncc[nH]1 ZINC001568234692 1124377442 /nfs/dbraw/zinc/37/74/42/1124377442.db2.gz AJSYCAWSQJLLCP-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO C[C@@H]([NH3+])Cc1cnn(Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000054741414 214252097 /nfs/dbraw/zinc/25/20/97/214252097.db2.gz ZAMVQQRBVSWERI-SECBINFHSA-N 1 0 339.193 2.492 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000041677951 213461553 /nfs/dbraw/zinc/46/15/53/213461553.db2.gz LBTBNNHUGZJXTD-UHFFFAOYSA-N 1 0 344.209 2.429 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000183327670 235010839 /nfs/dbraw/zinc/01/08/39/235010839.db2.gz YTATZAQRLFIOSX-INIZCTEOSA-N 1 0 333.432 2.447 10 5 EEBERO COc1ccc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000079489381 217232537 /nfs/dbraw/zinc/23/25/37/217232537.db2.gz NWHGMTKWTPEGMM-AWEZNQCLSA-N 1 0 349.431 2.289 10 5 EEBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000153801514 224160110 /nfs/dbraw/zinc/16/01/10/224160110.db2.gz LVPIWQNQJWGPLG-VXGBXAGGSA-N 1 0 327.812 2.135 10 5 EEBERO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273030825 256258944 /nfs/dbraw/zinc/25/89/44/256258944.db2.gz UYJRRWULNOZOOR-NWDGAFQWSA-N 1 0 347.419 2.154 10 5 EEBERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116316943 152048257 /nfs/dbraw/zinc/04/82/57/152048257.db2.gz LOQOSRZAFUEGBE-CYBMUJFWSA-N 1 0 343.387 2.146 10 5 EEBERO C[NH+](C)CC1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000341974549 161028652 /nfs/dbraw/zinc/02/86/52/161028652.db2.gz XMOKIKIWKRSLIQ-UHFFFAOYSA-N 1 0 343.330 2.410 10 5 EEBERO COc1cc(CN2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000352776580 162282754 /nfs/dbraw/zinc/28/27/54/162282754.db2.gz DCMWTMRZDAISLQ-UKRRQHHQSA-N 1 0 325.434 2.081 10 5 EEBERO COc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000352781110 162284621 /nfs/dbraw/zinc/28/46/21/162284621.db2.gz XJOCOGNJTNEVGX-HDMKZQKVSA-N 1 0 349.431 2.287 10 5 EEBERO CC(C)[N@H+](C)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358996420 164032487 /nfs/dbraw/zinc/03/24/87/164032487.db2.gz XBKBCQVHYKBHBS-UHFFFAOYSA-N 1 0 331.319 2.266 10 5 EEBERO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000123246039 222242498 /nfs/dbraw/zinc/24/24/98/222242498.db2.gz VMTYZGMQAICSJY-WMLDXEAASA-N 1 0 333.432 2.226 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000191773236 274052006 /nfs/dbraw/zinc/05/20/06/274052006.db2.gz MGQJWGKJWLQFCM-ZDUSSCGKSA-N 1 0 337.424 2.053 10 5 EEBERO COc1cc[nH+]c(N2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)c1 ZINC000359110528 274164574 /nfs/dbraw/zinc/16/45/74/274164574.db2.gz SDLJJUBQYXDVJT-UHFFFAOYSA-N 1 0 343.387 2.337 10 5 EEBERO CN1C(=O)CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000424319037 277008137 /nfs/dbraw/zinc/00/81/37/277008137.db2.gz QGALABLNFDHSIR-UONOGXRCSA-N 1 0 331.372 2.054 10 5 EEBERO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000093899797 277248097 /nfs/dbraw/zinc/24/80/97/277248097.db2.gz PCZSGWVQQALESC-SECBINFHSA-N 1 0 344.209 2.171 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1Cl ZINC000268830823 277424500 /nfs/dbraw/zinc/42/45/00/277424500.db2.gz SCYNUWIGFYKEHM-LKFCYVNXSA-N 1 0 341.795 2.421 10 5 EEBERO CC[NH+](CC)[C@H](C)CNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000236869067 279160421 /nfs/dbraw/zinc/16/04/21/279160421.db2.gz YGRZBDUCTTVLPC-GFCCVEGCSA-N 1 0 325.409 2.432 10 5 EEBERO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+](CC)CC ZINC000343613907 288575673 /nfs/dbraw/zinc/57/56/73/288575673.db2.gz REFBSAFGLDIERV-GFCCVEGCSA-N 1 0 343.449 2.166 10 5 EEBERO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293972173 293340663 /nfs/dbraw/zinc/34/06/63/293340663.db2.gz UTNYIOYNODUOIV-QGZVFWFLSA-N 1 0 328.372 2.244 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCOC1(C)C ZINC000295156430 293630581 /nfs/dbraw/zinc/63/05/81/293630581.db2.gz DUWALZMPCFHEOO-CQSZACIVSA-N 1 0 337.376 2.089 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000295293629 293674164 /nfs/dbraw/zinc/67/41/64/293674164.db2.gz JOFJVMGOHYSLLK-UHFFFAOYSA-N 1 0 346.362 2.112 10 5 EEBERO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000298207164 294445541 /nfs/dbraw/zinc/44/55/41/294445541.db2.gz YQFATPKXXGTFDC-MRXNPFEDSA-N 1 0 334.420 2.053 10 5 EEBERO C[C@H]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000334033399 312231250 /nfs/dbraw/zinc/23/12/50/312231250.db2.gz YCWFMGGKMJIUSX-ONGXEEELSA-N 1 0 343.330 2.409 10 5 EEBERO O=C(NC[C@@H]1CCC[NH2+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415702880 313168934 /nfs/dbraw/zinc/16/89/34/313168934.db2.gz QEFHEFDLCHUWMR-VIFPVBQESA-N 1 0 343.181 2.231 10 5 EEBERO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532387958 317861576 /nfs/dbraw/zinc/86/15/76/317861576.db2.gz UVMGZFDLWJBCPQ-UHFFFAOYSA-N 1 0 330.344 2.183 10 5 EEBERO COc1cc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000564808790 319112095 /nfs/dbraw/zinc/11/20/95/319112095.db2.gz CEGFPNQZEUKMSC-JKSUJKDBSA-N 1 0 349.431 2.336 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000566484928 319294071 /nfs/dbraw/zinc/29/40/71/319294071.db2.gz ZRHUHHFBCOPCPF-HNNXBMFYSA-N 1 0 334.420 2.298 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000576108036 320141479 /nfs/dbraw/zinc/14/14/79/320141479.db2.gz KHYDSXLJZMFIDA-ZDUSSCGKSA-N 1 0 329.347 2.421 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337248569 465266816 /nfs/dbraw/zinc/26/68/16/465266816.db2.gz KYRILDNOFLIUFG-HIFRSBDPSA-N 1 0 333.388 2.424 10 5 EEBERO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000337447874 465375275 /nfs/dbraw/zinc/37/52/75/465375275.db2.gz CZUKLLPTCGDEGF-UHFFFAOYSA-N 1 0 347.371 2.319 10 5 EEBERO CC[C@H](C[NH+]1CCCC1)Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000076017626 462785194 /nfs/dbraw/zinc/78/51/94/462785194.db2.gz PCOKPQUZFJGAOL-GFCCVEGCSA-N 1 0 341.433 2.285 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047543993 462796756 /nfs/dbraw/zinc/79/67/56/462796756.db2.gz FENIVNALPSVCPM-SNVBAGLBSA-N 1 0 349.840 2.257 10 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COc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000262169708 463964396 /nfs/dbraw/zinc/96/43/96/463964396.db2.gz HQGXUOMWMVEWDA-JDSLSITLSA-N 1 0 349.387 2.074 10 5 EEBERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000284068333 464080468 /nfs/dbraw/zinc/08/04/68/464080468.db2.gz QIYSIAYZEXPEIL-RISCZKNCSA-N 1 0 330.812 2.496 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000222332934 464129443 /nfs/dbraw/zinc/12/94/43/464129443.db2.gz MCKKHZISIGPUOQ-JQWIXIFHSA-N 1 0 347.462 2.007 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000272220846 464523876 /nfs/dbraw/zinc/52/38/76/464523876.db2.gz KNJGYRTWIMKSLS-GXSJLCMTSA-N 1 0 349.416 2.154 10 5 EEBERO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000281998712 464662774 /nfs/dbraw/zinc/66/27/74/464662774.db2.gz IQWDQJJUPZOIPG-CXAGYDPISA-N 1 0 335.404 2.406 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000248467831 464756575 /nfs/dbraw/zinc/75/65/75/464756575.db2.gz SYXOXBNYQWWBGY-GJZGRUSLSA-N 1 0 346.387 2.285 10 5 EEBERO CC[C@@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000286128967 464812935 /nfs/dbraw/zinc/81/29/35/464812935.db2.gz MUTAGPYCDHOOMI-LBPRGKRZSA-N 1 0 336.392 2.371 10 5 EEBERO CCn1nccc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000276351593 464900601 /nfs/dbraw/zinc/90/06/01/464900601.db2.gz WPSQTXRMDVPWNK-UHFFFAOYSA-N 1 0 329.404 2.176 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000177032198 464911333 /nfs/dbraw/zinc/91/13/33/464911333.db2.gz PQTZFKOYGIVQDR-LBPRGKRZSA-N 1 0 339.367 2.055 10 5 EEBERO CC[NH+](CC)Cc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000276389547 464913833 /nfs/dbraw/zinc/91/38/33/464913833.db2.gz UOPOLWBAXPUVET-UHFFFAOYSA-N 1 0 331.376 2.422 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286538598 464952836 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CDWMJDVLRWRUDW-MCIONIFRSA-N 1 0 332.404 2.057 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCN1CCO)CCC2 ZINC000453276190 467474845 /nfs/dbraw/zinc/47/48/45/467474845.db2.gz XLJMMSVLDUZILC-FUHWJXTLSA-N 1 0 333.432 2.409 10 5 EEBERO C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000458199944 467788154 /nfs/dbraw/zinc/78/81/54/467788154.db2.gz FLQAPEMNGNGPBF-NSHDSACASA-N 1 0 341.358 2.264 10 5 EEBERO CC(C)C[N@@H+]1CCO[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487945307 468061835 /nfs/dbraw/zinc/06/18/35/468061835.db2.gz UXZJRXFCNORTOQ-AWEZNQCLSA-N 1 0 344.415 2.334 10 5 EEBERO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000531626746 468066345 /nfs/dbraw/zinc/06/63/45/468066345.db2.gz GASANQGNNLRQNE-CYBMUJFWSA-N 1 0 340.383 2.166 10 5 EEBERO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592605 468630177 /nfs/dbraw/zinc/63/01/77/468630177.db2.gz SVSVQMHJGVTBLX-MCIONIFRSA-N 1 0 344.415 3.053 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000592166857 468645081 /nfs/dbraw/zinc/64/50/81/468645081.db2.gz JZVNQFNNMKOEMK-MSOLQXFVSA-N 1 0 344.415 2.249 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000597859261 468696459 /nfs/dbraw/zinc/69/64/59/468696459.db2.gz SLAPKBCPDMTYDQ-CYBMUJFWSA-N 1 0 334.420 2.386 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476538 468706875 /nfs/dbraw/zinc/70/68/75/468706875.db2.gz ZPTHJEYFIMIYRR-PBHICJAKSA-N 1 0 346.431 2.306 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000601115330 468747273 /nfs/dbraw/zinc/74/72/73/468747273.db2.gz FZUDPIOFLQNZNI-SNVBAGLBSA-N 1 0 347.341 2.412 10 5 EEBERO CN(CC1CC[NH+](C)CC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601114711 468747339 /nfs/dbraw/zinc/74/73/39/468747339.db2.gz VNYCXTJXMSUHQE-UHFFFAOYSA-N 1 0 335.330 2.125 10 5 EEBERO CC[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601126092 468752470 /nfs/dbraw/zinc/75/24/70/468752470.db2.gz YKQYKEYKPRMYON-VIFPVBQESA-N 1 0 335.330 2.125 10 5 EEBERO Cn1cnc2cc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000601149830 468761372 /nfs/dbraw/zinc/76/13/72/468761372.db2.gz QDXWDENWQIYBCJ-SFHVURJKSA-N 1 0 340.383 2.479 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000601194239 468777846 /nfs/dbraw/zinc/77/78/46/468777846.db2.gz VYRWYVPLFSOTHH-HNNXBMFYSA-N 1 0 346.362 2.308 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595272925 468798468 /nfs/dbraw/zinc/79/84/68/468798468.db2.gz HXGNNZOXXFEORV-DBQDNQAGSA-N 1 0 344.415 2.236 10 5 EEBERO O=C(C[NH2+]C1(CCO)CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595508702 468882140 /nfs/dbraw/zinc/88/21/40/468882140.db2.gz JTTXCWGLNPPCTB-UHFFFAOYSA-N 1 0 341.795 2.472 10 5 EEBERO COc1ccc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000572092274 468882859 /nfs/dbraw/zinc/88/28/59/468882859.db2.gz CPNAIWHZRJZBCH-HNNXBMFYSA-N 1 0 334.347 2.436 10 5 EEBERO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595630749 468930909 /nfs/dbraw/zinc/93/09/09/468930909.db2.gz BXDBPDZMYFXIKR-QLFBSQMISA-N 1 0 338.404 2.259 10 5 EEBERO CC1([NH+]2CCCC2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000601738052 468996505 /nfs/dbraw/zinc/99/65/05/468996505.db2.gz IGJSSQMZPQAWKG-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)c3c(F)cccc3[N+](=O)[O-])cn2)CC1 ZINC000601780586 469020747 /nfs/dbraw/zinc/02/07/47/469020747.db2.gz SJEPKCMMQRAJCT-UHFFFAOYSA-N 1 0 347.350 2.449 10 5 EEBERO C[NH+](C)CCCC1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000588009622 469104346 /nfs/dbraw/zinc/10/43/46/469104346.db2.gz ZVWKHLQTSNLGAX-UHFFFAOYSA-N 1 0 336.436 2.228 10 5 EEBERO CCO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C[NH3+] ZINC000593736694 469118087 /nfs/dbraw/zinc/11/80/87/469118087.db2.gz DZQNQJGRBROUKO-RHSMWYFYSA-N 1 0 337.420 2.178 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000596425188 469262120 /nfs/dbraw/zinc/26/21/20/469262120.db2.gz OSPCJSXPCVPLHF-UHFFFAOYSA-N 1 0 331.420 2.438 10 5 EEBERO Cc1cc(N[C@H]2CC[C@H](C)S(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596464163 469275310 /nfs/dbraw/zinc/27/53/10/469275310.db2.gz GZXCETKOEDLBLX-RYUDHWBXSA-N 1 0 349.412 2.251 10 5 EEBERO C[C@@H]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[NH2+]1 ZINC000599595032 469303189 /nfs/dbraw/zinc/30/31/89/469303189.db2.gz FNPGMSXNPTZRJJ-BDAKNGLRSA-N 1 0 344.318 2.458 10 5 EEBERO CCN(CC[NH3+])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000599605950 469306547 /nfs/dbraw/zinc/30/65/47/469306547.db2.gz IISCFEVNORKTIE-UHFFFAOYSA-N 1 0 345.197 2.478 10 5 EEBERO CC1(N2CCOCC2)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599618559 469312233 /nfs/dbraw/zinc/31/22/33/469312233.db2.gz PUZTUWMCSRDIEF-UHFFFAOYSA-N 1 0 349.431 2.160 10 5 EEBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599626104 469314722 /nfs/dbraw/zinc/31/47/22/469314722.db2.gz UEKDECKHMNFMBA-ZNZZXWJUSA-N 1 0 333.388 2.102 10 5 EEBERO Cc1c(NC(=O)CC[NH+]2[C@H](C)CC(O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000191267323 533899707 /nfs/dbraw/zinc/89/97/07/533899707.db2.gz PZLXZCXXMOVOGW-VXGBXAGGSA-N 1 0 335.404 2.466 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000158414550 529088485 /nfs/dbraw/zinc/08/84/85/529088485.db2.gz FMGGOWXEOAAILJ-CJNGLKHVSA-N 1 0 334.420 2.165 10 5 EEBERO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537175 529204481 /nfs/dbraw/zinc/20/44/81/529204481.db2.gz HPADXRZUOHXETO-RHSMWYFYSA-N 1 0 348.447 2.188 10 5 EEBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CC[N@@H+]1C[C@@H](C)O ZINC000175099373 529301695 /nfs/dbraw/zinc/30/16/95/529301695.db2.gz PCXROMWRXLVZOD-HIFRSBDPSA-N 1 0 337.420 2.023 10 5 EEBERO CC1(C)OCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451242477 534993923 /nfs/dbraw/zinc/99/39/23/534993923.db2.gz MLEGSNWSUPCPIE-AWEZNQCLSA-N 1 0 335.360 2.050 10 5 EEBERO Cc1c(C(=O)N(C)CCC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000775818809 577446672 /nfs/dbraw/zinc/44/66/72/577446672.db2.gz VQXUDNXPPBHHEY-UHFFFAOYSA-N 1 0 338.364 2.144 10 5 EEBERO CCO[C@@H](CC[NH+](C)C)CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752528744 577772246 /nfs/dbraw/zinc/77/22/46/577772246.db2.gz XATHCZCQLCFINZ-AINHQSCGSA-N 1 0 349.431 2.471 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)n2)cc1 ZINC000756887984 577852406 /nfs/dbraw/zinc/85/24/06/577852406.db2.gz NCGOQRBJNCEHKL-HOCLYGCPSA-N 1 0 343.387 2.312 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000261985582 682732982 /nfs/dbraw/zinc/73/29/82/682732982.db2.gz XGAWADKQURGLNC-WFASDCNBSA-N 1 0 346.431 2.298 10 5 EEBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000898616515 693393300 /nfs/dbraw/zinc/39/33/00/693393300.db2.gz LQQPBUPITOBZJY-UHFFFAOYSA-N 1 0 344.415 2.115 10 5 EEBERO Cc1c(CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC000898835969 693476708 /nfs/dbraw/zinc/47/67/08/693476708.db2.gz QRBSBEXQFLWYGT-JKSUJKDBSA-N 1 0 331.416 2.435 10 5 EEBERO CNc1ccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898848766 693484090 /nfs/dbraw/zinc/48/40/90/693484090.db2.gz PDWJTHIPUFZQIK-LSDHHAIUSA-N 1 0 332.404 2.239 10 5 EEBERO CC(C)SCC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001691262908 1177788158 /nfs/dbraw/zinc/78/81/58/1177788158.db2.gz WTMIBBNTZOLBKQ-UHFFFAOYSA-N 1 0 325.434 2.284 10 5 EEBERO Cc1cc(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c(C)s1 ZINC001493370778 1181388516 /nfs/dbraw/zinc/38/85/16/1181388516.db2.gz OIFMYWUBPIXHAY-HUUCEWRRSA-N 1 0 337.445 2.111 10 5 EEBERO Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001268512693 1183151301 /nfs/dbraw/zinc/15/13/01/1183151301.db2.gz PZKOGUSBVHOFDY-NSCUHMNNSA-N 1 0 340.383 2.374 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CCF)CC1 ZINC001483754652 1190970441 /nfs/dbraw/zinc/97/04/41/1190970441.db2.gz IKBYVKANKLQDNS-UHFFFAOYSA-N 1 0 335.379 2.473 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1cncs1 ZINC001484625008 1191442659 /nfs/dbraw/zinc/44/26/59/1191442659.db2.gz NWAOAHNFLZVWJP-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2(C)CCCC2)CCC1 ZINC001484646060 1191452351 /nfs/dbraw/zinc/45/23/51/1191452351.db2.gz KVVSHZAPPDWINY-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CCSC2)c1 ZINC000872217433 1198092515 /nfs/dbraw/zinc/09/25/15/1198092515.db2.gz WIUSZPIRKKCJDQ-GXTWGEPZSA-N 1 0 326.418 2.067 10 5 EEBERO Cn1cc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2cccnc21 ZINC000872233681 1198102999 /nfs/dbraw/zinc/10/29/99/1198102999.db2.gz FGVQAAIUXYTVMZ-KRWDZBQOSA-N 1 0 340.383 2.347 10 5 EEBERO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850044 1200957040 /nfs/dbraw/zinc/95/70/40/1200957040.db2.gz SYJAXQMGTDANKY-KSSFIOAISA-N 1 0 345.399 2.201 10 5 EEBERO C[C@@]([NH3+])(C(=O)NCC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867985492 1201720947 /nfs/dbraw/zinc/72/09/47/1201720947.db2.gz FSNXERDFNZWYOW-KGLIPLIRSA-N 1 0 327.331 2.320 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000930544283 1206566115 /nfs/dbraw/zinc/56/61/15/1206566115.db2.gz MLNSGZSMULKPBG-YGRLFVJLSA-N 1 0 340.221 2.493 10 5 EEBERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CS1(=O)=O ZINC000827165564 1250333655 /nfs/dbraw/zinc/33/36/55/1250333655.db2.gz ZMQYCTPFHCHPAI-MWLCHTKSSA-N 1 0 332.809 2.304 10 5 EEBERO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ncnn21 ZINC000850499614 1277247766 /nfs/dbraw/zinc/24/77/66/1277247766.db2.gz SRZRPAVOXLHFDV-MLGOLLRUSA-N 1 0 342.403 2.451 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC001273899793 1289704062 /nfs/dbraw/zinc/70/40/62/1289704062.db2.gz GDPJVTBWQMTRMI-UPHRSURJSA-N 1 0 332.385 2.127 10 5 EEBERO Nc1ccc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000853794191 1292456074 /nfs/dbraw/zinc/45/60/74/1292456074.db2.gz FSMSUBMGWBYGAW-MRXNPFEDSA-N 1 0 342.399 2.356 10 5 EEBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000853990934 1292573507 /nfs/dbraw/zinc/57/35/07/1292573507.db2.gz YBKSTRAQPIXHIW-OAHLLOKOSA-N 1 0 335.404 2.344 10 5 EEBERO C[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000857768368 1293911621 /nfs/dbraw/zinc/91/16/21/1293911621.db2.gz OYTOQCRPUYHUBJ-MNOVXSKESA-N 1 0 343.330 2.010 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000859591885 1294531359 /nfs/dbraw/zinc/53/13/59/1294531359.db2.gz CCHJYDPDDTZCEK-KGLIPLIRSA-N 1 0 325.368 2.430 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000859591884 1294532387 /nfs/dbraw/zinc/53/23/87/1294532387.db2.gz CCHJYDPDDTZCEK-KBPBESRZSA-N 1 0 325.368 2.430 10 5 EEBERO CCCC[N@H+](C)CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863503128 1296311796 /nfs/dbraw/zinc/31/17/96/1296311796.db2.gz BZPSCEBBXYXOQN-KRWDZBQOSA-N 1 0 348.403 2.094 10 5 EEBERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863581794 1296344275 /nfs/dbraw/zinc/34/42/75/1296344275.db2.gz WPFHYTJIJJFBFF-IRXDYDNUSA-N 1 0 341.367 2.045 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000926946508 1296965978 /nfs/dbraw/zinc/96/59/78/1296965978.db2.gz PGRNWJGSOBQNQX-CBZIJGRNSA-N 1 0 332.400 2.309 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001124025427 1310808227 /nfs/dbraw/zinc/80/82/27/1310808227.db2.gz MWFZVHHLMKKPRZ-QLFBSQMISA-N 1 0 347.415 2.129 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001142927977 1315802219 /nfs/dbraw/zinc/80/22/19/1315802219.db2.gz RWFDXIVDSLBZBV-CABCVRRESA-N 1 0 334.420 2.242 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc(Cl)c2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480486 1324247780 /nfs/dbraw/zinc/24/77/80/1324247780.db2.gz PTYGRTZKKADOJD-ZIAGYGMSSA-N 1 0 337.807 2.134 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cnoc1 ZINC001280849287 1324571658 /nfs/dbraw/zinc/57/16/58/1324571658.db2.gz BMFWZLHKZPPXEG-UHFFFAOYSA-N 1 0 346.387 2.106 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)n1 ZINC001303540244 1331358238 /nfs/dbraw/zinc/35/82/38/1331358238.db2.gz NMCMFTXCYWKQNE-CYBMUJFWSA-N 1 0 332.404 2.387 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnsn1)Cc1ccccc1[N+](=O)[O-] ZINC001316886022 1331952115 /nfs/dbraw/zinc/95/21/15/1331952115.db2.gz QQECFWMVGKKPRR-UHFFFAOYSA-N 1 0 349.416 2.088 10 5 EEBERO CC[N@H+]1[C@H](C)CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001300085945 1338035997 /nfs/dbraw/zinc/03/59/97/1338035997.db2.gz LWCDVCGRLSWHTJ-OKILXGFUSA-N 1 0 335.404 2.305 10 5 EEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001542178548 1342328049 /nfs/dbraw/zinc/32/80/49/1342328049.db2.gz AXLFIDNUWWGSJZ-CQSZACIVSA-N 1 0 342.399 2.080 10 5 EEBERO CC[C@@]1(O)CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001560059992 1342506245 /nfs/dbraw/zinc/50/62/45/1342506245.db2.gz CDRSPVJBNCYHCQ-MRXNPFEDSA-N 1 0 332.360 2.382 10 5 EEBERO O=C(CC[N@@H+]1CC[C@@H](c2cnccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001620617848 1344554680 /nfs/dbraw/zinc/55/46/80/1344554680.db2.gz QWZGBZDFRAQHKX-CYBMUJFWSA-N 1 0 341.371 2.203 10 5 EEBERO CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1N)C1CC[NH+](C)CC1 ZINC001628264762 1352528160 /nfs/dbraw/zinc/52/81/60/1352528160.db2.gz GBWLYLLDKQZOFD-UHFFFAOYSA-N 1 0 334.420 2.369 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)n1 ZINC001635208091 1352641799 /nfs/dbraw/zinc/64/17/99/1352641799.db2.gz KVACRMWMXNZHRJ-UHFFFAOYSA-N 1 0 340.383 2.255 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NCCCCc2cc[nH+]c(N)c2)n1 ZINC001643236844 1352743484 /nfs/dbraw/zinc/74/34/84/1352743484.db2.gz BEPZWAPNVQCFBB-UHFFFAOYSA-N 1 0 345.359 2.188 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@]23CC[N@H+](C2)CCC3)c1 ZINC001644097849 1352757029 /nfs/dbraw/zinc/75/70/29/1352757029.db2.gz BVIXBILCYJSCDJ-KRWDZBQOSA-N 1 0 333.388 2.027 10 5 EEBERO CCOc1ccc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001648310082 1353424006 /nfs/dbraw/zinc/42/40/06/1353424006.db2.gz JAZSYCJFQHFDIS-CQSZACIVSA-N 1 0 333.388 2.065 10 5 EEBERO Cc1c(CNC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC001650937024 1354034053 /nfs/dbraw/zinc/03/40/53/1354034053.db2.gz BTFJQOJQEWCBAA-OAHLLOKOSA-N 1 0 340.383 2.441 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001655315240 1354170381 /nfs/dbraw/zinc/17/03/81/1354170381.db2.gz YCWNLAJQYZHDLW-NXHRZFHOSA-N 1 0 339.395 2.492 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001655527181 1354176584 /nfs/dbraw/zinc/17/65/84/1354176584.db2.gz ATSQKRGEOUIRRJ-ZBFHGGJFSA-N 1 0 349.343 2.421 10 5 EEBERO COc1ccc(OCC[N@H+]2Cc3c[nH]nc3C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001655590254 1354179408 /nfs/dbraw/zinc/17/94/08/1354179408.db2.gz XPHXGWBAAYDKSQ-GFCCVEGCSA-N 1 0 346.387 2.400 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@]23CCCOC3)c([N+](=O)[O-])c1 ZINC001656575005 1354249345 /nfs/dbraw/zinc/24/93/45/1354249345.db2.gz YXBZJUHGLMASNP-QGZVFWFLSA-N 1 0 333.388 2.229 10 5 EEBERO Cc1[nH]nc(C(=O)NCC=CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001668751497 1355997040 /nfs/dbraw/zinc/99/70/40/1355997040.db2.gz JNBJIGXOYLXKSS-ARJAWSKDSA-N 1 0 343.387 2.011 10 5 EEBERO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(C)=O)CC1 ZINC001699689388 1405443381 /nfs/dbraw/zinc/44/33/81/1405443381.db2.gz QQUXMFRMLKBMKO-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO Fc1ccccc1COc1ccc(C[N+]23CCN(CC2)CC3)cn1 ZINC000186861754 717157882 /nfs/dbraw/zinc/15/78/82/717157882.db2.gz GXIGZRRFHUORMX-UHFFFAOYSA-N 1 0 328.411 2.446 10 5 EEBERO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000708887603 786879956 /nfs/dbraw/zinc/87/99/56/786879956.db2.gz BZSUNWGTDNSBNR-KOLCDFICSA-N 1 0 328.210 2.384 10 5 EEBERO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000912653495 788283776 /nfs/dbraw/zinc/28/37/76/788283776.db2.gz RNEAWCGVDCKBGK-GOSISDBHSA-N 1 0 347.415 2.111 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912925163 788500777 /nfs/dbraw/zinc/50/07/77/788500777.db2.gz CMCKLBXCBKWZTQ-CQSZACIVSA-N 1 0 330.388 2.089 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000845476627 789823781 /nfs/dbraw/zinc/82/37/81/789823781.db2.gz VTYJBKGWKIUFOB-UONOGXRCSA-N 1 0 328.372 2.418 10 5 EEBERO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001176989992 798683376 /nfs/dbraw/zinc/68/33/76/798683376.db2.gz BUAXUNQZAVEEGP-NVXWUHKLSA-N 1 0 333.388 2.085 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497572306 1102683423 /nfs/dbraw/zinc/68/34/23/1102683423.db2.gz LEXZQFZYUHPPSF-PWGWRZEZSA-N 1 0 340.383 2.398 10 5 EEBERO Cc1nscc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001493525777 1108270439 /nfs/dbraw/zinc/27/04/39/1108270439.db2.gz VBDRZIDSDOUWSI-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO Cc1ncccc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001499335149 1112238695 /nfs/dbraw/zinc/23/86/95/1112238695.db2.gz NFGIMLIBDFNFLX-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1cnco1 ZINC001568004173 1124226111 /nfs/dbraw/zinc/22/61/11/1124226111.db2.gz QBCIKNRXTQGDMZ-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccn1C ZINC001568725143 1124740553 /nfs/dbraw/zinc/74/05/53/1124740553.db2.gz CZDDPLCEZRHUIC-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000422633360 240166970 /nfs/dbraw/zinc/16/69/70/240166970.db2.gz HZKXPUPGQNWIRQ-UHFFFAOYSA-N 1 0 338.795 2.015 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000091983465 218097890 /nfs/dbraw/zinc/09/78/90/218097890.db2.gz NIDPFCSSFCSQJX-DGCLKSJQSA-N 1 0 334.376 2.304 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000193489725 160182564 /nfs/dbraw/zinc/18/25/64/160182564.db2.gz AVOAOJMXQUAEEM-CVEARBPZSA-N 1 0 342.399 2.224 10 5 EEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000246992585 160304467 /nfs/dbraw/zinc/30/44/67/160304467.db2.gz GONHBZZZCJMPLO-DZGCQCFKSA-N 1 0 349.435 2.035 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000342459029 161067019 /nfs/dbraw/zinc/06/70/19/161067019.db2.gz BWQAXYYTJQQBSN-BXUZGUMPSA-N 1 0 333.388 2.206 10 5 EEBERO C[C@@H](N[C@@H](CO)c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352022430 162032903 /nfs/dbraw/zinc/03/29/03/162032903.db2.gz OSLSGNJMIZXLAG-YGRLFVJLSA-N 1 0 335.385 2.307 10 5 EEBERO O=C(CC[NH2+][C@H](CO)c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000352031613 162038261 /nfs/dbraw/zinc/03/82/61/162038261.db2.gz GCYKMRUNOPSIAP-CYBMUJFWSA-N 1 0 335.385 2.308 10 5 EEBERO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359035084 164042618 /nfs/dbraw/zinc/04/26/18/164042618.db2.gz ASLZDSBFOQSRIQ-JTQLQIEISA-N 1 0 341.314 2.163 10 5 EEBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000370007187 166375420 /nfs/dbraw/zinc/37/54/20/166375420.db2.gz FNBJTBCONAOHTF-MRXNPFEDSA-N 1 0 343.431 2.388 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(c3ccccc3F)CC2)n1 ZINC000375803070 167200405 /nfs/dbraw/zinc/20/04/05/167200405.db2.gz AQSCIUILXNDKCF-UHFFFAOYSA-N 1 0 333.367 2.143 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000122486901 222098193 /nfs/dbraw/zinc/09/81/93/222098193.db2.gz PUUMPWYUWFMCRH-JTQLQIEISA-N 1 0 342.193 2.181 10 5 EEBERO Cc1cc(OCC(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000280613036 269378915 /nfs/dbraw/zinc/37/89/15/269378915.db2.gz SEVQWAFZNMZTDJ-CQSZACIVSA-N 1 0 335.404 2.273 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000041912006 273641683 /nfs/dbraw/zinc/64/16/83/273641683.db2.gz XBDSCQXEOJNWIG-SNVBAGLBSA-N 1 0 338.364 2.272 10 5 EEBERO C[C@@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000277487033 274297503 /nfs/dbraw/zinc/29/75/03/274297503.db2.gz OOSUTOGRKRHGSZ-ZWNOBZJWSA-N 1 0 325.340 2.077 10 5 EEBERO C[C@H]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](C)[C@H]1[NH3+] ZINC000297439871 294244785 /nfs/dbraw/zinc/24/47/85/294244785.db2.gz USJZWOYHJJHUHV-PRXAMGSTSA-N 1 0 330.388 2.134 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000565087478 319147944 /nfs/dbraw/zinc/14/79/44/319147944.db2.gz PAZVKEVPJHXGPQ-CZUORRHYSA-N 1 0 340.420 2.241 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]CCOC)CC1 ZINC000567276410 319365714 /nfs/dbraw/zinc/36/57/14/319365714.db2.gz IHEWEKVNTJDMSO-UHFFFAOYSA-N 1 0 337.420 2.194 10 5 EEBERO COCC[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105834094 463476000 /nfs/dbraw/zinc/47/60/00/463476000.db2.gz MYUQPJYRRJIRPY-HNNXBMFYSA-N 1 0 337.420 2.016 10 5 EEBERO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000109818962 463650891 /nfs/dbraw/zinc/65/08/91/463650891.db2.gz QLEZEJJDBKLBHS-MRXNPFEDSA-N 1 0 349.431 2.290 10 5 EEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000185105457 463753008 /nfs/dbraw/zinc/75/30/08/463753008.db2.gz BBRFVYBVTQKYDQ-PFONDFGASA-N 1 0 347.415 2.227 10 5 EEBERO Cc1c(NC(=O)CCN2CCC[N@@H+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000172346067 464058667 /nfs/dbraw/zinc/05/86/67/464058667.db2.gz XOHCMMKBIHDLKH-UHFFFAOYSA-N 1 0 346.431 2.402 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@@H+](C2CC2)CC1 ZINC000172347763 464060722 /nfs/dbraw/zinc/06/07/22/464060722.db2.gz XCONXPNLFLKOJB-UHFFFAOYSA-N 1 0 346.431 2.402 10 5 EEBERO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000172765314 464140287 /nfs/dbraw/zinc/14/02/87/464140287.db2.gz IEWBZBMXSRQKLG-NEPJUHHUSA-N 1 0 336.392 2.085 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173275914 464229202 /nfs/dbraw/zinc/22/92/02/464229202.db2.gz JVMDTQALXWTJIQ-CHWSQXEVSA-N 1 0 341.433 2.006 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000188705266 464348019 /nfs/dbraw/zinc/34/80/19/464348019.db2.gz FAQHEMWQVKKQED-AWEZNQCLSA-N 1 0 335.404 2.468 10 5 EEBERO CO[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1C ZINC000189342923 464481242 /nfs/dbraw/zinc/48/12/42/464481242.db2.gz AZEVHRXOUPXKEJ-ABAIWWIYSA-N 1 0 339.367 2.419 10 5 EEBERO CC[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181538145 464503656 /nfs/dbraw/zinc/50/36/56/464503656.db2.gz RRXLSWJWNWPBAF-INIZCTEOSA-N 1 0 345.403 2.028 10 5 EEBERO CC(C)Oc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000591083817 468405453 /nfs/dbraw/zinc/40/54/53/468405453.db2.gz VJEANMDGGXWXMH-DZGCQCFKSA-N 1 0 333.388 2.158 10 5 EEBERO C[NH+](C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000175804504 464629954 /nfs/dbraw/zinc/62/99/54/464629954.db2.gz PKQBHNOFURTCRU-CQSZACIVSA-N 1 0 328.372 2.210 10 5 EEBERO CC(C)(NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000599929602 468416595 /nfs/dbraw/zinc/41/65/95/468416595.db2.gz SVLQGBOXXHSNNU-CQSZACIVSA-N 1 0 332.404 2.414 10 5 EEBERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000176436840 464773610 /nfs/dbraw/zinc/77/36/10/464773610.db2.gz FYAPXRSLLQZCQU-CQSZACIVSA-N 1 0 349.431 2.068 10 5 EEBERO Cc1ccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000176874895 464871800 /nfs/dbraw/zinc/87/18/00/464871800.db2.gz OWJOUORSSYXCOM-CQSZACIVSA-N 1 0 349.431 2.068 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000358795433 465326524 /nfs/dbraw/zinc/32/65/24/465326524.db2.gz YSSBWEVLVJEESN-SNVBAGLBSA-N 1 0 333.348 2.006 10 5 EEBERO Cc1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600007036 468434764 /nfs/dbraw/zinc/43/47/64/468434764.db2.gz MAQVVNCFXPOQIK-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000353167814 465690056 /nfs/dbraw/zinc/69/00/56/465690056.db2.gz BVSYDICTFNHHNI-AWEZNQCLSA-N 1 0 335.404 2.484 10 5 EEBERO C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000338010815 465747719 /nfs/dbraw/zinc/74/77/19/465747719.db2.gz DPCWBGRXHDUOTP-CYBMUJFWSA-N 1 0 338.371 2.464 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000362742674 465993304 /nfs/dbraw/zinc/99/33/04/465993304.db2.gz TUYOVUKIURKJLV-UHFFFAOYSA-N 1 0 327.331 2.016 10 5 EEBERO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+]1CCO ZINC000302381379 466136100 /nfs/dbraw/zinc/13/61/00/466136100.db2.gz GTABUBUAHPNIRQ-AWEZNQCLSA-N 1 0 342.399 2.160 10 5 EEBERO CCNc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347016727 466324213 /nfs/dbraw/zinc/32/42/13/466324213.db2.gz SXEUZYXBZJMPEQ-CQSZACIVSA-N 1 0 332.404 2.335 10 5 EEBERO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000367570560 466420251 /nfs/dbraw/zinc/42/02/51/466420251.db2.gz QNSJAUIQUYIMRZ-KBPBESRZSA-N 1 0 349.435 2.055 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000341063625 466554839 /nfs/dbraw/zinc/55/48/39/466554839.db2.gz RGYUXFRAAIKNQN-ZIAGYGMSSA-N 1 0 334.420 2.386 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600229897 468502141 /nfs/dbraw/zinc/50/21/41/468502141.db2.gz WWXCAJHCNVYBQP-MRXNPFEDSA-N 1 0 347.415 2.497 10 5 EEBERO Cc1c(CC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423974388 466933756 /nfs/dbraw/zinc/93/37/56/466933756.db2.gz NIRFVVRHEILFAP-WBVHZDCISA-N 1 0 331.416 2.436 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418573313 467130392 /nfs/dbraw/zinc/13/03/92/467130392.db2.gz LECRHFAXXUVPFX-LRDDRELGSA-N 1 0 332.404 2.267 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000420346136 467371633 /nfs/dbraw/zinc/37/16/33/467371633.db2.gz CDWMJDVLRWRUDW-MELADBBJSA-N 1 0 332.404 2.057 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000449420957 467641797 /nfs/dbraw/zinc/64/17/97/467641797.db2.gz HATOVMPKANFGBE-DUFXMDAXSA-N 1 0 345.346 2.306 10 5 EEBERO COc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc([N+](=O)[O-])c1C ZINC000590376386 468242647 /nfs/dbraw/zinc/24/26/47/468242647.db2.gz ZCNYSZLKRDUXRI-UHFFFAOYSA-N 1 0 347.415 2.470 10 5 EEBERO CO[C@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000583199293 468659997 /nfs/dbraw/zinc/65/99/97/468659997.db2.gz ILPGGDZWYXCZCR-GFCCVEGCSA-N 1 0 349.309 2.480 10 5 EEBERO Cc1cc(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592243411 468663832 /nfs/dbraw/zinc/66/38/32/468663832.db2.gz YVRONPOFTRKKRL-UHFFFAOYSA-N 1 0 348.403 2.232 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncc(Br)cc1[N+](=O)[O-])C2 ZINC000600956554 468695957 /nfs/dbraw/zinc/69/59/57/468695957.db2.gz UXHOMBSTGUPGKI-BETUJISGSA-N 1 0 341.209 2.188 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592567742 468731124 /nfs/dbraw/zinc/73/11/24/468731124.db2.gz XQVRNJXUSFAYHK-QGZVFWFLSA-N 1 0 325.368 2.222 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1C ZINC000601135623 468755814 /nfs/dbraw/zinc/75/58/14/468755814.db2.gz ICCDTMGCTOYJMU-BDAKNGLRSA-N 1 0 335.330 2.266 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598164816 468782883 /nfs/dbraw/zinc/78/28/83/468782883.db2.gz WODBDCZLFJVDJL-UHFFFAOYSA-N 1 0 346.412 2.352 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595221608 468787807 /nfs/dbraw/zinc/78/78/07/468787807.db2.gz AFCCDLLJINVHTL-AWEZNQCLSA-N 1 0 332.404 2.150 10 5 EEBERO Cn1ccnc1[C@H](NCC[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298471 468815930 /nfs/dbraw/zinc/81/59/30/468815930.db2.gz IQAGYTZHVBUSSS-CHWSQXEVSA-N 1 0 340.330 2.023 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333491 468829492 /nfs/dbraw/zinc/82/94/92/468829492.db2.gz DVXOXDVHXVAQFC-RHSMWYFYSA-N 1 0 346.431 2.306 10 5 EEBERO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595614087 468923858 /nfs/dbraw/zinc/92/38/58/468923858.db2.gz FFDLMAXNAFVMOE-AWEZNQCLSA-N 1 0 342.367 2.274 10 5 EEBERO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000595617946 468924936 /nfs/dbraw/zinc/92/49/36/468924936.db2.gz YYINOMZNXBQNHP-AWEZNQCLSA-N 1 0 335.360 2.267 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595749720 468986495 /nfs/dbraw/zinc/98/64/95/468986495.db2.gz GTUOEKDWFILUSI-SJCJKPOMSA-N 1 0 333.388 2.159 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595757479 468991549 /nfs/dbraw/zinc/99/15/49/468991549.db2.gz JQFXRKGYWLRERK-SUMWQHHRSA-N 1 0 333.388 2.200 10 5 EEBERO COc1cccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595935430 469090651 /nfs/dbraw/zinc/09/06/51/469090651.db2.gz DCVSBTMRCFZQCY-AWEZNQCLSA-N 1 0 347.415 2.455 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1(CO)CCC1 ZINC000593691340 469096645 /nfs/dbraw/zinc/09/66/45/469096645.db2.gz BLZBHKAHAIECHO-ZDUSSCGKSA-N 1 0 335.404 2.454 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000587977656 469097313 /nfs/dbraw/zinc/09/73/13/469097313.db2.gz SLFUNIFGUGCNKU-LLVKDONJSA-N 1 0 336.392 2.227 10 5 EEBERO Nc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588004070 469102621 /nfs/dbraw/zinc/10/26/21/469102621.db2.gz TZWSTYFHWUQGDA-SJCJKPOMSA-N 1 0 346.431 2.122 10 5 EEBERO CN1CCCC[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601972282 469119339 /nfs/dbraw/zinc/11/93/39/469119339.db2.gz YPNGROWOHYICEQ-MRXNPFEDSA-N 1 0 335.404 2.306 10 5 EEBERO COC(=O)c1c(Cl)c(N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000599110548 469123058 /nfs/dbraw/zinc/12/30/58/469123058.db2.gz WYHOLQRTLADYDG-DTORHVGOSA-N 1 0 327.768 2.221 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2 ZINC000601978186 469125437 /nfs/dbraw/zinc/12/54/37/469125437.db2.gz YFQJAZINEWPKSV-HDICACEKSA-N 1 0 344.415 2.241 10 5 EEBERO [NH3+]CC1(CCNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000593762891 469129107 /nfs/dbraw/zinc/12/91/07/469129107.db2.gz ZCHRJAORZRKBLV-UHFFFAOYSA-N 1 0 344.318 2.447 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]3COCC[C@@H]31)OCCO2 ZINC000611285349 469220124 /nfs/dbraw/zinc/22/01/24/469220124.db2.gz GKDUTKPHNQSUES-JSGCOSHPSA-N 1 0 334.372 2.367 10 5 EEBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602173422 469225079 /nfs/dbraw/zinc/22/50/79/469225079.db2.gz PZJXDHMGAWQBGV-HOTGVXAUSA-N 1 0 347.415 2.403 10 5 EEBERO Cc1cnc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596424595 469261871 /nfs/dbraw/zinc/26/18/71/469261871.db2.gz SZZMXHPCMTYSMP-INIZCTEOSA-N 1 0 342.399 2.477 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000611614853 469292695 /nfs/dbraw/zinc/29/26/95/469292695.db2.gz OLJPTONSIWKYCG-SNVBAGLBSA-N 1 0 329.303 2.020 10 5 EEBERO CCOc1cccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000596539353 469296442 /nfs/dbraw/zinc/29/64/42/469296442.db2.gz OZPCLTPYPZVHFR-CQSZACIVSA-N 1 0 335.404 2.029 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC12CCOCC2 ZINC000618318328 469960147 /nfs/dbraw/zinc/96/01/47/469960147.db2.gz RKHFBTPCDHYVSM-UHFFFAOYSA-N 1 0 349.387 2.187 10 5 EEBERO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000187969483 534202377 /nfs/dbraw/zinc/20/23/77/534202377.db2.gz WMNQSRLQXSKRMY-CXAGYDPISA-N 1 0 335.404 2.041 10 5 EEBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000174532528 527813645 /nfs/dbraw/zinc/81/36/45/527813645.db2.gz UBVUUHMEGFRYSE-LBPRGKRZSA-N 1 0 330.388 2.490 10 5 EEBERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183131396 529056375 /nfs/dbraw/zinc/05/63/75/529056375.db2.gz NQLKBHMQYUWKMU-RDJZCZTQSA-N 1 0 344.415 2.456 10 5 EEBERO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178670879 529204463 /nfs/dbraw/zinc/20/44/63/529204463.db2.gz AXGDQJXOSYWDBU-BXUZGUMPSA-N 1 0 336.392 2.258 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000765850692 577508226 /nfs/dbraw/zinc/50/82/26/577508226.db2.gz ZSSFKQOJOBGPKV-QGZVFWFLSA-N 1 0 342.399 2.282 10 5 EEBERO C[NH+](C)CCCCCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000754682649 577810814 /nfs/dbraw/zinc/81/08/14/577810814.db2.gz FMYDMWPUDRKGEO-UHFFFAOYSA-N 1 0 334.376 2.220 10 5 EEBERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000735889877 578172489 /nfs/dbraw/zinc/17/24/89/578172489.db2.gz FXXDDVHTRQZUTA-INIZCTEOSA-N 1 0 336.388 2.037 10 5 EEBERO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899988136 693954982 /nfs/dbraw/zinc/95/49/82/693954982.db2.gz YSDLEULSXMHERT-CJNGLKHVSA-N 1 0 332.404 2.140 10 5 EEBERO O=C(N[C@H]1CCCN(CCF)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000898484446 693331846 /nfs/dbraw/zinc/33/18/46/693331846.db2.gz SVPFVLGNDBHLAN-JTQLQIEISA-N 1 0 329.759 2.412 10 5 EEBERO CC[N@H+](CCNC(=O)CC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC001691010638 1176486843 /nfs/dbraw/zinc/48/68/43/1176486843.db2.gz YGWHYXCEMUJPSN-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccn(C)c1 ZINC001268786078 1183700070 /nfs/dbraw/zinc/70/00/70/1183700070.db2.gz NNLNXFBCTKMLNV-UHFFFAOYSA-N 1 0 336.417 2.247 10 5 EEBERO Cc1nc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001691525889 1186242812 /nfs/dbraw/zinc/24/28/12/1186242812.db2.gz VKBFFJJBJCJGNZ-UHFFFAOYSA-N 1 0 332.360 2.061 10 5 EEBERO [NH3+][C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[C@H]1C(F)(F)F ZINC000905720554 1189888075 /nfs/dbraw/zinc/88/80/75/1189888075.db2.gz DUGIVLLGXACXRX-SFYZADRCSA-N 1 0 347.322 2.315 10 5 EEBERO COc1ccc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001483778996 1191023562 /nfs/dbraw/zinc/02/35/62/1191023562.db2.gz MVZHEQLBTLCILR-UHFFFAOYSA-N 1 0 345.355 2.249 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872146951 1198052984 /nfs/dbraw/zinc/05/29/84/1198052984.db2.gz BJWGVRXATLYCCZ-PWSUYJOCSA-N 1 0 333.310 2.172 10 5 EEBERO COCC[C@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810257660 1199380736 /nfs/dbraw/zinc/38/07/36/1199380736.db2.gz SLZNTWZSIXLEKJ-OAHLLOKOSA-N 1 0 337.420 2.205 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)OCC(C)(C)C[NH+](CC)CC)n1 ZINC000813150499 1201145551 /nfs/dbraw/zinc/14/55/51/1201145551.db2.gz FZFMFMTUVDRNSS-UHFFFAOYSA-N 1 0 326.397 2.336 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@H]21 ZINC000866205440 1201464685 /nfs/dbraw/zinc/46/46/85/1201464685.db2.gz LYNFTQZVCJKNJA-GXTWGEPZSA-N 1 0 346.387 2.082 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207444 1201464696 /nfs/dbraw/zinc/46/46/96/1201464696.db2.gz IXTPQSWJIRODOU-KOLCDFICSA-N 1 0 341.209 2.283 10 5 EEBERO CC(=O)c1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000866258382 1201478207 /nfs/dbraw/zinc/47/82/07/1201478207.db2.gz TXXAPSQYSOASCP-UHFFFAOYSA-N 1 0 347.415 2.346 10 5 EEBERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866392663 1201505861 /nfs/dbraw/zinc/50/58/61/1201505861.db2.gz HFUIZIRHXILKED-NSHDSACASA-N 1 0 344.408 2.222 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C)C(C)(C)CC1 ZINC000867681697 1201657657 /nfs/dbraw/zinc/65/76/57/1201657657.db2.gz MCKIZCBPUAYVSF-UHFFFAOYSA-N 1 0 341.433 2.008 10 5 EEBERO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC000928102007 1206343879 /nfs/dbraw/zinc/34/38/79/1206343879.db2.gz KXZXRINYDPBPQN-ZFWWWQNUSA-N 1 0 335.429 2.213 10 5 EEBERO CCOc1cc(C[N@@H+]2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000930909587 1206591933 /nfs/dbraw/zinc/59/19/33/1206591933.db2.gz GQZDUUGNIGSZAF-BZPMIXESSA-N 1 0 335.404 2.468 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287603 1206622120 /nfs/dbraw/zinc/62/21/20/1206622120.db2.gz SMMPQHCWRMFEBU-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO COc1cc(CN2C[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000903552562 1240910952 /nfs/dbraw/zinc/91/09/52/1240910952.db2.gz PJIXPAKWBUAURY-CYBMUJFWSA-N 1 0 345.346 2.374 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273507610 1278739028 /nfs/dbraw/zinc/73/90/28/1278739028.db2.gz HBLIHEPKAFELJV-VXGBXAGGSA-N 1 0 345.852 2.347 10 5 EEBERO Cc1cc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC001187932581 1279710927 /nfs/dbraw/zinc/71/09/27/1279710927.db2.gz XMZZFTIXKLVOIU-HNNXBMFYSA-N 1 0 330.363 2.458 10 5 EEBERO CC(C)C(=O)N1CCC([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001489350866 1290536752 /nfs/dbraw/zinc/53/67/52/1290536752.db2.gz DVSAHSDBQWEYAV-UHFFFAOYSA-N 1 0 349.431 2.036 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(N(C)CC2C[NH+](C)C2)cc1Cl ZINC000853825326 1292475575 /nfs/dbraw/zinc/47/55/75/1292475575.db2.gz JWMSRTLOJHQYGV-UHFFFAOYSA-N 1 0 327.768 2.033 10 5 EEBERO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC001263763010 1322511435 /nfs/dbraw/zinc/51/14/35/1322511435.db2.gz UZRDAYZOJHHPEH-KSZJFAHPSA-N 1 0 332.404 2.295 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)c(C)c1 ZINC001265113513 1322927189 /nfs/dbraw/zinc/92/71/89/1322927189.db2.gz QBAGEJMRBZGSSE-IAGOWNOFSA-N 1 0 333.432 2.297 10 5 EEBERO Cc1cccc(C)c1C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001266135558 1323706616 /nfs/dbraw/zinc/70/66/16/1323706616.db2.gz PDCZDEDKEBEXMB-SJLPKXTDSA-N 1 0 345.443 2.439 10 5 EEBERO COc1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cc([N+](=O)[O-])c1C ZINC001299820298 1330168006 /nfs/dbraw/zinc/16/80/06/1330168006.db2.gz DXSGCJHCERJHBS-HUUCEWRRSA-N 1 0 335.404 2.370 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001618683211 1352352256 /nfs/dbraw/zinc/35/22/56/1352352256.db2.gz NARQSJWDNYJCHC-INIZCTEOSA-N 1 0 328.372 2.210 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CN(C)Cc3ccccc32)n1 ZINC001435798367 1342000384 /nfs/dbraw/zinc/00/03/84/1342000384.db2.gz UJFHRCVUSNMCMO-INIZCTEOSA-N 1 0 326.356 2.215 10 5 EEBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001558768608 1342487948 /nfs/dbraw/zinc/48/79/48/1342487948.db2.gz DNETWXHICZTBOL-HOCLYGCPSA-N 1 0 332.404 2.325 10 5 EEBERO Cc1cnc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001559306145 1342500806 /nfs/dbraw/zinc/50/08/06/1342500806.db2.gz JUTUZEQZMJDORS-HNNXBMFYSA-N 1 0 330.363 2.458 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001620549865 1344403601 /nfs/dbraw/zinc/40/36/01/1344403601.db2.gz TWAKMQLHQZHOLE-ZDUSSCGKSA-N 1 0 345.403 2.076 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646379778 1352835806 /nfs/dbraw/zinc/83/58/06/1352835806.db2.gz PWSBXUGSXFICSE-NSHDSACASA-N 1 0 329.759 2.457 10 5 EEBERO O=C(NC[C@@H]1C[NH+]2CCC1CC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001648310297 1353423796 /nfs/dbraw/zinc/42/37/96/1353423796.db2.gz OQZWVHCJJBERPF-GFCCVEGCSA-N 1 0 339.342 2.145 10 5 EEBERO CCCn1nccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001653056544 1354112737 /nfs/dbraw/zinc/11/27/37/1354112737.db2.gz QETZHWWIQSOKOG-GFCCVEGCSA-N 1 0 331.376 2.491 10 5 EEBERO O=C(CC[N@@H+]1CC[C@@H](c2ncccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654914897 1354161316 /nfs/dbraw/zinc/16/13/16/1354161316.db2.gz DBTBWWQGWHEQQB-CYBMUJFWSA-N 1 0 341.371 2.203 10 5 EEBERO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001654909648 1354161409 /nfs/dbraw/zinc/16/14/09/1354161409.db2.gz RPLNDLVGKWTHOK-MLGOLLRUSA-N 1 0 335.404 2.453 10 5 EEBERO C[C@@H]1CCN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001655192370 1354167199 /nfs/dbraw/zinc/16/71/99/1354167199.db2.gz PFHBTYGTUNWPED-CQSZACIVSA-N 1 0 329.404 2.429 10 5 EEBERO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(C)=O)CC1 ZINC001699689343 1405443093 /nfs/dbraw/zinc/44/30/93/1405443093.db2.gz PIBKUALUVQNHMX-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO Cc1cc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000072966891 776628248 /nfs/dbraw/zinc/62/82/48/776628248.db2.gz DFXBGPFMQSYIRB-OAHLLOKOSA-N 1 0 336.388 2.417 10 5 EEBERO CC(C)(NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000908360450 785356391 /nfs/dbraw/zinc/35/63/91/785356391.db2.gz RZPKSBSURHGJBH-UHFFFAOYSA-N 1 0 347.415 2.057 10 5 EEBERO C[C@]1(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[NH+]2CCC1CC2 ZINC000912376685 788149120 /nfs/dbraw/zinc/14/91/20/788149120.db2.gz JZNRBAGSJOVGAY-KRWDZBQOSA-N 1 0 328.372 2.290 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912923831 788498885 /nfs/dbraw/zinc/49/88/85/788498885.db2.gz KOAWZGWDEWXPMD-HNNXBMFYSA-N 1 0 344.415 2.115 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@@]2(C)C1 ZINC000913284824 788762368 /nfs/dbraw/zinc/76/23/68/788762368.db2.gz REGKSCVVXLJCML-HDICACEKSA-N 1 0 342.399 2.490 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@]2(C)C1 ZINC000913288661 788765691 /nfs/dbraw/zinc/76/56/91/788765691.db2.gz GNPMLVPXQSZSSF-ROUUACIJSA-N 1 0 342.399 2.490 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913291482 788768359 /nfs/dbraw/zinc/76/83/59/788768359.db2.gz WXFGMQBISDUZBP-ROUUACIJSA-N 1 0 347.415 2.164 10 5 EEBERO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000913535156 788965872 /nfs/dbraw/zinc/96/58/72/788965872.db2.gz ZDOKDGIWNPQWDO-PHIMTYICSA-N 1 0 341.770 2.235 10 5 EEBERO COCC[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000844900512 789442351 /nfs/dbraw/zinc/44/23/51/789442351.db2.gz QBCZGHWGUDOLMV-UHFFFAOYSA-N 1 0 327.812 2.449 10 5 EEBERO Nc1ncc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001148891509 792760817 /nfs/dbraw/zinc/76/08/17/792760817.db2.gz CATUXNFERUPQDH-UHFFFAOYSA-N 1 0 347.419 2.099 10 5 EEBERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913815953 794320741 /nfs/dbraw/zinc/32/07/41/794320741.db2.gz VZEMXENZGPNFNE-RYUDHWBXSA-N 1 0 338.795 2.139 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC001181842091 800929872 /nfs/dbraw/zinc/92/98/72/800929872.db2.gz ZCFXEXXTPQPCJR-OAHLLOKOSA-N 1 0 333.388 2.110 10 5 EEBERO COc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000922522168 801237200 /nfs/dbraw/zinc/23/72/00/801237200.db2.gz BYKMQHUKUWJOJX-DZGCQCFKSA-N 1 0 337.445 2.273 10 5 EEBERO C[C@@H]1CC[N@H+](CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001566013079 1125499513 /nfs/dbraw/zinc/49/95/13/1125499513.db2.gz IQMIPUDAWRDULP-LLVKDONJSA-N 1 0 325.796 2.249 10 5 EEBERO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001443208730 1097662037 /nfs/dbraw/zinc/66/20/37/1097662037.db2.gz AUSURDDCBZHZEI-UHFFFAOYSA-N 1 0 343.815 2.308 10 5 EEBERO CC(=O)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001480191144 1099791952 /nfs/dbraw/zinc/79/19/52/1099791952.db2.gz GWCGOZTVRCCEBO-GASCZTMLSA-N 1 0 333.388 2.091 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccco1 ZINC001493462341 1108189332 /nfs/dbraw/zinc/18/93/32/1108189332.db2.gz BEVAPKXCERVDAY-HJWRWDBZSA-N 1 0 329.356 2.449 10 5 EEBERO CC(C)[N@H+](C)CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001464876505 1110406699 /nfs/dbraw/zinc/40/66/99/1110406699.db2.gz CLTKVDXZLMFZGF-UHFFFAOYSA-N 1 0 330.388 2.400 10 5 EEBERO CC[N@@H+]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001471466329 1110522835 /nfs/dbraw/zinc/52/28/35/1110522835.db2.gz VDRYCOJWWAQAIU-KGLIPLIRSA-N 1 0 334.420 2.434 10 5 EEBERO C[NH2+]C[C@H]1CCCCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000063169392 132806056 /nfs/dbraw/zinc/80/60/56/132806056.db2.gz ULPGXMPHIRBHCV-SNVBAGLBSA-N 1 0 329.198 2.331 10 5 EEBERO C[C@H]([NH3+])CCNc1ccc(I)cc1[N+](=O)[O-] ZINC000085102262 159169712 /nfs/dbraw/zinc/16/97/12/159169712.db2.gz FAGUEKHUHPJRRX-ZETCQYMHSA-N 1 0 335.145 2.349 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176867760 159868577 /nfs/dbraw/zinc/86/85/77/159868577.db2.gz MEVROQHVBHQUME-CQSZACIVSA-N 1 0 349.431 2.068 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000134884770 292439231 /nfs/dbraw/zinc/43/92/31/292439231.db2.gz BPIIKQLIYZINKI-CYBMUJFWSA-N 1 0 346.431 2.217 10 5 EEBERO COc1cc(C[NH+]2CCC(Cn3ccnn3)CC2)ccc1[N+](=O)[O-] ZINC000352771375 162281306 /nfs/dbraw/zinc/28/13/06/162281306.db2.gz XWZLUYFJWTXNSI-UHFFFAOYSA-N 1 0 331.376 2.107 10 5 EEBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@]2(O)CCOC2)c2ccccc2)c1 ZINC000352907638 162340586 /nfs/dbraw/zinc/34/05/86/162340586.db2.gz HHJITKQJRJBYMN-QZTJIDSGSA-N 1 0 328.368 2.425 10 5 EEBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000370007184 166375404 /nfs/dbraw/zinc/37/54/04/166375404.db2.gz FNBJTBCONAOHTF-INIZCTEOSA-N 1 0 343.431 2.388 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000338743986 274004783 /nfs/dbraw/zinc/00/47/83/274004783.db2.gz JWBANOIUYFKTGE-QGZVFWFLSA-N 1 0 333.388 2.304 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000419008244 274348827 /nfs/dbraw/zinc/34/88/27/274348827.db2.gz VJODXKSTSVYDIZ-QWHCGFSZSA-N 1 0 330.388 2.034 10 5 EEBERO COC(=O)c1cc(C)nc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376260458 277420664 /nfs/dbraw/zinc/42/06/64/277420664.db2.gz OFSWXZGGFQOPCL-QWHCGFSZSA-N 1 0 348.403 2.148 10 5 EEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000293939456 293331791 /nfs/dbraw/zinc/33/17/91/293331791.db2.gz CNEIYBIWZXXOJE-OUKQBFOZSA-N 1 0 343.387 2.395 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298804521 294590367 /nfs/dbraw/zinc/59/03/67/294590367.db2.gz LAVYTKBYBWQVFW-UHFFFAOYSA-N 1 0 347.371 2.183 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000302104268 294930470 /nfs/dbraw/zinc/93/04/70/294930470.db2.gz RGYPMEIMMCFUKU-CQSZACIVSA-N 1 0 333.388 2.446 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417736273 313581050 /nfs/dbraw/zinc/58/10/50/313581050.db2.gz WQQYPOPMFCVEJS-KRWDZBQOSA-N 1 0 346.431 2.453 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000563819012 319046145 /nfs/dbraw/zinc/04/61/45/319046145.db2.gz LLMCHSSDCQGNLQ-UHFFFAOYSA-N 1 0 349.431 2.361 10 5 EEBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000575338220 320101996 /nfs/dbraw/zinc/10/19/96/320101996.db2.gz ZRMSITHLWBSEBH-RYUDHWBXSA-N 1 0 335.385 2.083 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCSCC1 ZINC000089979809 462760487 /nfs/dbraw/zinc/76/04/87/462760487.db2.gz JBMPNVKHSOUTKR-UHFFFAOYSA-N 1 0 339.417 2.371 10 5 EEBERO Cc1sc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047434901 462784399 /nfs/dbraw/zinc/78/43/99/462784399.db2.gz VDDXFOGMIATPAU-GHMZBOCLSA-N 1 0 341.433 2.194 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000119449641 462902040 /nfs/dbraw/zinc/90/20/40/462902040.db2.gz QIVNMOOZVWSWOK-CQSZACIVSA-N 1 0 349.435 2.057 10 5 EEBERO C[N@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000068243995 463110847 /nfs/dbraw/zinc/11/08/47/463110847.db2.gz SPRIOGSOIVHRNT-UHFFFAOYSA-N 1 0 334.420 2.387 10 5 EEBERO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000121516851 463148635 /nfs/dbraw/zinc/14/86/35/463148635.db2.gz ZJJAASHTTVVPCR-NSHDSACASA-N 1 0 335.385 2.093 10 5 EEBERO Cc1cnn([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000137050466 463275345 /nfs/dbraw/zinc/27/53/45/463275345.db2.gz YSKWBKAVJUSNQE-IRXDYDNUSA-N 1 0 330.388 2.470 10 5 EEBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000105884380 463488025 /nfs/dbraw/zinc/48/80/25/463488025.db2.gz RRCUBVDKIREBMX-HNNXBMFYSA-N 1 0 345.403 2.367 10 5 EEBERO [NH3+]CCN(CCc1ccccc1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261630022 463809354 /nfs/dbraw/zinc/80/93/54/463809354.db2.gz AZHPTMSIMUKSBY-UHFFFAOYSA-N 1 0 343.383 2.004 10 5 EEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000261666512 463821071 /nfs/dbraw/zinc/82/10/71/463821071.db2.gz OOGPIZBZXCIYRM-PHDAOHEYSA-N 1 0 347.415 2.386 10 5 EEBERO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000283643950 463958319 /nfs/dbraw/zinc/95/83/19/463958319.db2.gz CPZDWYJFKJFFKK-UHFFFAOYSA-N 1 0 342.403 2.158 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173524885 464276314 /nfs/dbraw/zinc/27/63/14/464276314.db2.gz CNFMTSWDUJEBNZ-ZIAGYGMSSA-N 1 0 334.420 2.256 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000272429107 464603426 /nfs/dbraw/zinc/60/34/26/464603426.db2.gz GFTHHZNXSIJKKF-SNVBAGLBSA-N 1 0 349.840 2.175 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000176286000 464740412 /nfs/dbraw/zinc/74/04/12/464740412.db2.gz JPGNGFXZTVIRJQ-HOTGVXAUSA-N 1 0 330.388 2.379 10 5 EEBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc([N+](=O)[O-])c1 ZINC000593919266 468433477 /nfs/dbraw/zinc/43/34/77/468433477.db2.gz PPEPFJUXWOROAU-UAGQMJEPSA-N 1 0 347.415 2.404 10 5 EEBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1[N+](=O)[O-] ZINC000593919276 468433831 /nfs/dbraw/zinc/43/38/31/468433831.db2.gz PSNCBYMGQCPUKW-DJIMGWMZSA-N 1 0 347.415 2.404 10 5 EEBERO CCC[C@H](C)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348921959 465875122 /nfs/dbraw/zinc/87/51/22/465875122.db2.gz PUSKKICZNGFFQD-LBPRGKRZSA-N 1 0 343.449 2.200 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594045669 468471775 /nfs/dbraw/zinc/47/17/75/468471775.db2.gz XOFSMEUJIRZLAT-CVEARBPZSA-N 1 0 335.404 2.495 10 5 EEBERO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCOC1 ZINC000361591882 466127037 /nfs/dbraw/zinc/12/70/37/466127037.db2.gz SLFRFDASKUZUGF-CYBMUJFWSA-N 1 0 335.360 2.004 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000350746622 466595503 /nfs/dbraw/zinc/59/55/03/466595503.db2.gz LXNBADJKRNBSKW-HWKANZROSA-N 1 0 338.429 2.413 10 5 EEBERO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418086985 467041458 /nfs/dbraw/zinc/04/14/58/467041458.db2.gz FKWJMKWRGXIZLK-SFYZADRCSA-N 1 0 334.298 2.149 10 5 EEBERO COc1ccc(C[NH+]2CCC(C3N=NC(=O)O3)CC2)cc1[N+](=O)[O-] ZINC000450910555 467203886 /nfs/dbraw/zinc/20/38/86/467203886.db2.gz ASGBXHYCDBBIFG-UHFFFAOYSA-N 1 0 334.332 2.072 10 5 EEBERO COC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000452109958 467325691 /nfs/dbraw/zinc/32/56/91/467325691.db2.gz XRJUCCWSZGZWGB-LSDHHAIUSA-N 1 0 338.404 2.083 10 5 EEBERO Cc1c(Br)c(N[C@H]2C[NH2+]CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000389794064 467401825 /nfs/dbraw/zinc/40/18/25/467401825.db2.gz NZVCFLRLSMXVDS-APPZFPTMSA-N 1 0 329.198 2.471 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCN1CCO)CCC2 ZINC000453276188 467474989 /nfs/dbraw/zinc/47/49/89/467474989.db2.gz XLJMMSVLDUZILC-AEFFLSMTSA-N 1 0 333.432 2.409 10 5 EEBERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)F ZINC000449420958 467642345 /nfs/dbraw/zinc/64/23/45/467642345.db2.gz HATOVMPKANFGBE-LJWDBELGSA-N 1 0 345.346 2.306 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000450397928 467842664 /nfs/dbraw/zinc/84/26/64/467842664.db2.gz WQDLJPLIRQYHRG-WBVHZDCISA-N 1 0 342.399 2.285 10 5 EEBERO CN(CCC[NH+]1CCN(C)CC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488073924 468070459 /nfs/dbraw/zinc/07/04/59/468070459.db2.gz AUCGEKBABJXWEM-UHFFFAOYSA-N 1 0 343.431 2.217 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000590375828 468242483 /nfs/dbraw/zinc/24/24/83/468242483.db2.gz MDBNNFZYAXKIRV-UHFFFAOYSA-N 1 0 333.388 2.161 10 5 EEBERO Cn1ccnc1[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600712386 468628764 /nfs/dbraw/zinc/62/87/64/468628764.db2.gz XKRYLCQLFMRPLV-HZPDHXFCSA-N 1 0 341.415 2.292 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753553 468750559 /nfs/dbraw/zinc/75/05/59/468750559.db2.gz RTFOEDUXKDWJOQ-KBXCAEBGSA-N 1 0 346.431 2.306 10 5 EEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595273211 468798372 /nfs/dbraw/zinc/79/83/72/468798372.db2.gz KREPSNMXKLXJRS-UHFFFAOYSA-N 1 0 332.404 2.267 10 5 EEBERO O=C(CC[N@H+]1CCC[C@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595750326 468986475 /nfs/dbraw/zinc/98/64/75/468986475.db2.gz LSJLJIMVPSEKDA-QGZVFWFLSA-N 1 0 333.388 2.160 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598914038 469048467 /nfs/dbraw/zinc/04/84/67/469048467.db2.gz WDWPZQUUHLGGPF-DAXOMENPSA-N 1 0 348.403 2.488 10 5 EEBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000598975976 469074345 /nfs/dbraw/zinc/07/43/45/469074345.db2.gz LJZCKYFKMKDMMU-KRWDZBQOSA-N 1 0 346.431 2.453 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000599041419 469096933 /nfs/dbraw/zinc/09/69/33/469096933.db2.gz VSVBSAJABYDAPO-RDJZCZTQSA-N 1 0 342.399 2.178 10 5 EEBERO Cc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596030117 469123252 /nfs/dbraw/zinc/12/32/52/469123252.db2.gz JVCSWDZCVRQAEW-ZIAGYGMSSA-N 1 0 331.351 2.236 10 5 EEBERO O=[N+]([O-])c1cc2ccccc2nc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596540486 469297468 /nfs/dbraw/zinc/29/74/68/469297468.db2.gz TTXQNMDJBBDDDF-HNNXBMFYSA-N 1 0 342.399 2.178 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000611815686 469329003 /nfs/dbraw/zinc/32/90/03/469329003.db2.gz YZICIZKDTHNJGF-UHFFFAOYSA-N 1 0 333.388 2.344 10 5 EEBERO C[NH+](C)C1CC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000619879733 469693862 /nfs/dbraw/zinc/69/38/62/469693862.db2.gz YEIAMAUMISCFNM-UHFFFAOYSA-N 1 0 346.431 2.020 10 5 EEBERO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C[C@H]21 ZINC000627654482 469967349 /nfs/dbraw/zinc/96/73/49/469967349.db2.gz BLZPHRXVROWYPQ-MNZLEMJZSA-N 1 0 347.418 2.313 10 5 EEBERO C[C@H](O)C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C)C1 ZINC000618344293 469969081 /nfs/dbraw/zinc/96/90/81/469969081.db2.gz GPIRCYSGKBFTCV-OLZOCXBDSA-N 1 0 330.388 2.034 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180839970 527813396 /nfs/dbraw/zinc/81/33/96/527813396.db2.gz DUTNDGQDCSYTFB-SNVBAGLBSA-N 1 0 343.330 2.268 10 5 EEBERO CC1(C)CCC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000767442322 577537167 /nfs/dbraw/zinc/53/71/67/577537167.db2.gz RVUUCJLLOMYLOU-UHFFFAOYSA-N 1 0 348.403 2.460 10 5 EEBERO C[N@H+](CCNC(=O)C(C)(C)C(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001690976900 1176409773 /nfs/dbraw/zinc/40/97/73/1176409773.db2.gz YBGGDVZUABKEBG-UHFFFAOYSA-N 1 0 329.347 2.434 10 5 EEBERO CCc1nc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001690983626 1176419284 /nfs/dbraw/zinc/41/92/84/1176419284.db2.gz RTXUPKZQOOGILN-UHFFFAOYSA-N 1 0 346.387 2.315 10 5 EEBERO COCC1(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001266718506 1177268715 /nfs/dbraw/zinc/26/87/15/1177268715.db2.gz SCYHRSGZSFYVKW-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CC(C)C(=O)N1CCC([N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001750945579 1178613825 /nfs/dbraw/zinc/61/38/25/1178613825.db2.gz SFTKCMNVNIDYHB-UHFFFAOYSA-N 1 0 349.431 2.036 10 5 EEBERO COc1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001267458415 1179045214 /nfs/dbraw/zinc/04/52/14/1179045214.db2.gz NXQAHPKDGDOWQM-UHFFFAOYSA-N 1 0 343.383 2.465 10 5 EEBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001481223059 1180352046 /nfs/dbraw/zinc/35/20/46/1180352046.db2.gz RUNWNSUNDBOXNC-UHFFFAOYSA-N 1 0 331.372 2.287 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnoc1C1CC1 ZINC001481297651 1180946059 /nfs/dbraw/zinc/94/60/59/1180946059.db2.gz GDJWFCHPQHBUGZ-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001268036555 1181377931 /nfs/dbraw/zinc/37/79/31/1181377931.db2.gz ZZBBWMALMKWVMK-HZPDHXFCSA-N 1 0 349.406 2.318 10 5 EEBERO CC(C)Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001268236976 1182057741 /nfs/dbraw/zinc/05/77/41/1182057741.db2.gz AVZDPPZMPVVVPK-QZTJIDSGSA-N 1 0 347.459 2.441 10 5 EEBERO Cc1nc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001268610141 1183519074 /nfs/dbraw/zinc/51/90/74/1183519074.db2.gz XQBPWKTVYDQRAH-WAYWQWQTSA-N 1 0 344.371 2.275 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccoc1 ZINC001268787344 1183704965 /nfs/dbraw/zinc/70/49/65/1183704965.db2.gz FAIVRBFZNKAJJU-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO COCCC(=O)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001269519863 1184339903 /nfs/dbraw/zinc/33/99/03/1184339903.db2.gz ABKAXZVWXCXIJO-UHFFFAOYSA-N 1 0 341.433 2.211 10 5 EEBERO Cc1ccc(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1 ZINC001270743311 1185359080 /nfs/dbraw/zinc/35/90/80/1185359080.db2.gz MTKCAWIIHDCSBF-IAGOWNOFSA-N 1 0 345.443 2.221 10 5 EEBERO COCC(C)(C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001670820561 1186938816 /nfs/dbraw/zinc/93/88/16/1186938816.db2.gz XGKBZETXXMSIOP-UHFFFAOYSA-N 1 0 335.404 2.006 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1oncc1C ZINC001482958816 1187889129 /nfs/dbraw/zinc/88/91/29/1187889129.db2.gz HPIJZAYQGWEESL-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO O=C(Cc1cscn1)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001483066728 1188396809 /nfs/dbraw/zinc/39/68/09/1188396809.db2.gz CDAFJERJAUCHHF-UPHRSURJSA-N 1 0 346.412 2.056 10 5 EEBERO CCc1ncc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001691630494 1189053997 /nfs/dbraw/zinc/05/39/97/1189053997.db2.gz AKWNCNCCZDZBOQ-UHFFFAOYSA-N 1 0 348.428 2.476 10 5 EEBERO Cc1ccncc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001483724396 1190823095 /nfs/dbraw/zinc/82/30/95/1190823095.db2.gz NSIQHDRNXVRVDO-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO CN1Cc2ccccc2[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872235811 1198104582 /nfs/dbraw/zinc/10/45/82/1198104582.db2.gz KHKCPTPJDPNKMZ-MSOLQXFVSA-N 1 0 327.384 2.405 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000866050297 1201414926 /nfs/dbraw/zinc/41/49/26/1201414926.db2.gz YNGIRLUNRQWXJW-DOMZBBRYSA-N 1 0 337.395 2.465 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000866447349 1201520062 /nfs/dbraw/zinc/52/00/62/1201520062.db2.gz IFTWSZNKJCJDBJ-MTJZNWHXSA-N 1 0 345.399 2.325 10 5 EEBERO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C(C)(C)C ZINC000880612500 1201541468 /nfs/dbraw/zinc/54/14/68/1201541468.db2.gz IQPMPYWXBUMZDL-CQSZACIVSA-N 1 0 345.403 2.273 10 5 EEBERO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000866804101 1201609435 /nfs/dbraw/zinc/60/94/35/1201609435.db2.gz QSAOWOXLLJWNNF-UHFFFAOYSA-N 1 0 347.824 2.011 10 5 EEBERO O=[N+]([O-])c1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c(Cl)c1 ZINC000903971478 1242799630 /nfs/dbraw/zinc/79/96/30/1242799630.db2.gz BVDBOCCFVCJYAP-CYBMUJFWSA-N 1 0 339.823 2.497 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852351112 1292097105 /nfs/dbraw/zinc/09/71/05/1292097105.db2.gz IOYUJACGCVMEOH-GUTXKFCHSA-N 1 0 326.368 2.390 10 5 EEBERO [NH3+]CCCCCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763239 1293910743 /nfs/dbraw/zinc/91/07/43/1293910743.db2.gz RJEXQFCZXCQYFA-UHFFFAOYSA-N 1 0 331.319 2.202 10 5 EEBERO Cc1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1Br ZINC000858868451 1294249282 /nfs/dbraw/zinc/24/92/82/1294249282.db2.gz ZOKXGECEEZNDCS-JTQLQIEISA-N 1 0 344.209 2.144 10 5 EEBERO O=C(CCCF)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001277027217 1300937811 /nfs/dbraw/zinc/93/78/11/1300937811.db2.gz PCLATEWMKPMWHJ-UMSPYCQHSA-N 1 0 329.397 2.390 10 5 EEBERO Cc1cc[nH]c1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277050219 1301056763 /nfs/dbraw/zinc/05/67/63/1301056763.db2.gz TXQFRSCSUMODBP-UHFFFAOYSA-N 1 0 328.372 2.284 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841891818 1315631319 /nfs/dbraw/zinc/63/13/19/1315631319.db2.gz PMCCARPFBKBBLS-RYUDHWBXSA-N 1 0 327.812 2.135 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842163169 1315671163 /nfs/dbraw/zinc/67/11/63/1315671163.db2.gz LAGZHMGGYJEIBL-VXGBXAGGSA-N 1 0 327.812 2.135 10 5 EEBERO C[C@]([NH3+])(C(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1cccc([N+](=O)[O-])c1 ZINC001261874190 1322192298 /nfs/dbraw/zinc/19/22/98/1322192298.db2.gz USHDLZFFWATKCX-IKVITTDRSA-N 1 0 339.342 2.319 10 5 EEBERO CCc1ocnc1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001264973329 1322822490 /nfs/dbraw/zinc/82/24/90/1322822490.db2.gz STBRUIAUJNIXDB-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CC(C)Oc1cc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC001289377168 1328021622 /nfs/dbraw/zinc/02/16/22/1328021622.db2.gz OVBDEXCZDIISCT-KDOFPFPSSA-N 1 0 347.415 2.406 10 5 EEBERO Cn1ccc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)c1 ZINC001326808283 1334162969 /nfs/dbraw/zinc/16/29/69/1334162969.db2.gz AYCBWYGNMXHCLM-UHFFFAOYSA-N 1 0 342.399 2.376 10 5 EEBERO CCOP(=O)(OCC)[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329877764 1334732163 /nfs/dbraw/zinc/73/21/63/1334732163.db2.gz IPSPHUIBQJQRDB-CQSZACIVSA-N 1 0 344.304 2.495 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000848025029 1338456364 /nfs/dbraw/zinc/45/63/64/1338456364.db2.gz MKEVPKRCEIJZRK-OBEJXRGXSA-N 1 0 349.431 2.207 10 5 EEBERO CCOC[C@@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479975 1338705667 /nfs/dbraw/zinc/70/56/67/1338705667.db2.gz FENXTNSJOFETGR-RHSMWYFYSA-N 1 0 347.415 2.227 10 5 EEBERO C[C@@]1(O)CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848487889 1338707905 /nfs/dbraw/zinc/70/79/05/1338707905.db2.gz ZVSAEYMTEKMICQ-FUHWJXTLSA-N 1 0 347.415 2.105 10 5 EEBERO O=C(CCC(F)F)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001566974422 1342671525 /nfs/dbraw/zinc/67/15/25/1342671525.db2.gz LAFFBKJTYFNDRF-ATCWAGBWSA-N 1 0 339.342 2.187 10 5 EEBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001567466375 1342764729 /nfs/dbraw/zinc/76/47/29/1342764729.db2.gz ALRFKJFJNOVDLB-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001621217432 1352365076 /nfs/dbraw/zinc/36/50/76/1352365076.db2.gz XADRLFRDAYKXOI-HNNXBMFYSA-N 1 0 341.408 2.209 10 5 EEBERO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001625636039 1352454298 /nfs/dbraw/zinc/45/42/98/1352454298.db2.gz IYBAXKLNJDSOPF-QMMMGPOBSA-N 1 0 346.790 2.428 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC001652316646 1354087170 /nfs/dbraw/zinc/08/71/70/1354087170.db2.gz BQHGQXBNGJDLID-YOEHRIQHSA-N 1 0 328.372 2.298 10 5 EEBERO CCCn1nccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001653056545 1354112947 /nfs/dbraw/zinc/11/29/47/1354112947.db2.gz QETZHWWIQSOKOG-LBPRGKRZSA-N 1 0 331.376 2.491 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001655100250 1354165157 /nfs/dbraw/zinc/16/51/57/1354165157.db2.gz CFIZFXXTGKWVOX-KRWDZBQOSA-N 1 0 343.383 2.220 10 5 EEBERO CN(C(=O)C[NH2+]C1([C@@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001660642899 1354508055 /nfs/dbraw/zinc/50/80/55/1354508055.db2.gz ZTXUCOSMTOQZMN-HNNXBMFYSA-N 1 0 333.388 2.249 10 5 EEBERO CC(C)OCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001673146310 1356649570 /nfs/dbraw/zinc/64/95/70/1356649570.db2.gz DGKOFZDWSCQXNS-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO COCCC(=O)N1CC2(C1)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001675642915 1357026991 /nfs/dbraw/zinc/02/69/91/1357026991.db2.gz OFBRJQORBVTXNG-UHFFFAOYSA-N 1 0 347.415 2.056 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)n1 ZINC000912807680 788366829 /nfs/dbraw/zinc/36/68/29/788366829.db2.gz OHVKULZZOCYNDL-QWHCGFSZSA-N 1 0 337.424 2.004 10 5 EEBERO CC[N@@H+]1CC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001148061630 792127286 /nfs/dbraw/zinc/12/72/86/792127286.db2.gz HOXIEJCTYYBVNT-MRXNPFEDSA-N 1 0 333.388 2.059 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000792925111 810072932 /nfs/dbraw/zinc/07/29/32/810072932.db2.gz IEHAYRRXCAZYCX-HZPDHXFCSA-N 1 0 335.404 2.009 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566540006 1125707373 /nfs/dbraw/zinc/70/73/73/1125707373.db2.gz VQEDNKFNMCVKSF-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497572311 1102683339 /nfs/dbraw/zinc/68/33/39/1102683339.db2.gz LEXZQFZYUHPPSF-SCPMJEMWSA-N 1 0 340.383 2.398 10 5 EEBERO C[C@H](CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001479447062 1110696689 /nfs/dbraw/zinc/69/66/89/1110696689.db2.gz OJXNEBZBETUYMD-IOASZLSFSA-N 1 0 332.404 2.044 10 5 EEBERO Cc1c[nH]c(C(=O)N(C)CCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)n1 ZINC001502381937 1113656612 /nfs/dbraw/zinc/65/66/12/1113656612.db2.gz IRVUTXQJNYHEKF-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO CC(C)(O)CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001568235574 1124378811 /nfs/dbraw/zinc/37/88/11/1124378811.db2.gz RLAQOSHHBVGFFP-UHFFFAOYSA-N 1 0 349.431 2.274 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246779208 243316764 /nfs/dbraw/zinc/31/67/64/243316764.db2.gz BDXGPMUBGQHVGJ-ZBFHGGJFSA-N 1 0 346.431 2.400 10 5 EEBERO COCC[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000153803834 532967566 /nfs/dbraw/zinc/96/75/66/532967566.db2.gz DJSZMKQUPLTVAU-LBPRGKRZSA-N 1 0 327.812 2.401 10 5 EEBERO O=[N+]([O-])c1cnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000337029451 285176331 /nfs/dbraw/zinc/17/63/31/285176331.db2.gz XJHLWPDWQDDMCW-GFCCVEGCSA-N 1 0 326.422 2.133 10 5 EEBERO CC[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000119051941 221232372 /nfs/dbraw/zinc/23/23/72/221232372.db2.gz NESJKFCUGPISTP-INIZCTEOSA-N 1 0 349.431 2.097 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245476431 160238445 /nfs/dbraw/zinc/23/84/45/160238445.db2.gz SUHCLCIVRBHGFD-CJNGLKHVSA-N 1 0 334.420 2.338 10 5 EEBERO CC[C@@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000343250073 161116698 /nfs/dbraw/zinc/11/66/98/161116698.db2.gz LWFWMRNTLIUONA-ZWNOBZJWSA-N 1 0 347.375 2.223 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000351971802 162008174 /nfs/dbraw/zinc/00/81/74/162008174.db2.gz WVXKXRIQDVQHNT-OAHLLOKOSA-N 1 0 347.415 2.342 10 5 EEBERO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358982650 164029406 /nfs/dbraw/zinc/02/94/06/164029406.db2.gz PADHGXZZPDURPT-LLVKDONJSA-N 1 0 343.330 2.362 10 5 EEBERO CC(C)(C)[NH2+]CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359670046 164149856 /nfs/dbraw/zinc/14/98/56/164149856.db2.gz MJOULVZKHLZYNO-UHFFFAOYSA-N 1 0 331.319 2.314 10 5 EEBERO O=C1C[C@H]([NH+]2C[C@@H]3CCCC[C@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000246106130 292600351 /nfs/dbraw/zinc/60/03/51/292600351.db2.gz BNRXEXPUSIVGPA-XEZPLFJOSA-N 1 0 343.383 2.349 10 5 EEBERO Cn1ccnc1[C@@H](NCCCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000272558437 274175799 /nfs/dbraw/zinc/17/57/99/274175799.db2.gz SSXHEJFUYFLLOP-INIZCTEOSA-N 1 0 331.420 2.349 10 5 EEBERO CS[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000278539026 274368638 /nfs/dbraw/zinc/36/86/38/274368638.db2.gz UTJWKJYIHRRBHL-GJZGRUSLSA-N 1 0 347.444 2.487 10 5 EEBERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)CO ZINC000295687064 293789830 /nfs/dbraw/zinc/78/98/30/293789830.db2.gz HVTWWOQCCTUJQT-BBBLOLIVSA-N 1 0 329.784 2.182 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000193246559 301424587 /nfs/dbraw/zinc/42/45/87/301424587.db2.gz USVWXNZRVWOVJN-JTQLQIEISA-N 1 0 347.824 2.059 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000159849826 311346955 /nfs/dbraw/zinc/34/69/55/311346955.db2.gz GUTUOXKMZDBHFW-MRXNPFEDSA-N 1 0 335.404 2.180 10 5 EEBERO Cc1cc(NC[C@@H]2C[NH2+]CCCO2)c(Br)cc1[N+](=O)[O-] ZINC000390269476 312439189 /nfs/dbraw/zinc/43/91/89/312439189.db2.gz XWCCMIDSPZATHU-JTQLQIEISA-N 1 0 344.209 2.456 10 5 EEBERO COc1ccc(CNCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000414887070 313106759 /nfs/dbraw/zinc/10/67/59/313106759.db2.gz WQSXBFLVAQKZFU-UHFFFAOYSA-N 1 0 330.388 2.268 10 5 EEBERO C[NH+](C)CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000526054825 317111228 /nfs/dbraw/zinc/11/12/28/317111228.db2.gz UXTDGSFBSYEPNR-UHFFFAOYSA-N 1 0 328.372 2.024 10 5 EEBERO CCCc1ncc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000564793679 319110280 /nfs/dbraw/zinc/11/02/80/319110280.db2.gz RPYQNGVIQZAIPU-CYBMUJFWSA-N 1 0 335.360 2.065 10 5 EEBERO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577845377 320279473 /nfs/dbraw/zinc/27/94/73/320279473.db2.gz BKSBKWUBOLKTAY-CYBMUJFWSA-N 1 0 341.209 2.332 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583740379 324722480 /nfs/dbraw/zinc/72/24/80/324722480.db2.gz WTDWQINCOPHKNT-INIZCTEOSA-N 1 0 334.376 2.211 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341222227 465064806 /nfs/dbraw/zinc/06/48/06/465064806.db2.gz RPZFRZBZEMUUAB-CHWSQXEVSA-N 1 0 341.433 2.136 10 5 EEBERO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1C[NH+]2CCC1CC2 ZINC000347960311 465336751 /nfs/dbraw/zinc/33/67/51/465336751.db2.gz WTTLAAUOICICNI-MRXNPFEDSA-N 1 0 328.372 2.242 10 5 EEBERO CN1CC[NH+](C[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000065568662 462799855 /nfs/dbraw/zinc/79/98/55/462799855.db2.gz XYAZFRWVMLIUBY-CQSZACIVSA-N 1 0 336.411 2.198 10 5 EEBERO CN1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1=O ZINC000119951345 462945793 /nfs/dbraw/zinc/94/57/93/462945793.db2.gz PSHNSOCNOJALIC-LBPRGKRZSA-N 1 0 346.412 2.429 10 5 EEBERO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000051527521 463038900 /nfs/dbraw/zinc/03/89/00/463038900.db2.gz KGYOETMAZLWOCG-UHFFFAOYSA-N 1 0 343.387 2.317 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536262797 468346630 /nfs/dbraw/zinc/34/66/30/468346630.db2.gz JEPJPWWOQNQTQA-ZBFHGGJFSA-N 1 0 328.372 2.109 10 5 EEBERO COCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000070037948 463370572 /nfs/dbraw/zinc/37/05/72/463370572.db2.gz QSHIWRXKHNRZRM-INIZCTEOSA-N 1 0 349.431 2.220 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882723 463487227 /nfs/dbraw/zinc/48/72/27/463487227.db2.gz YRQGLYJDRYEOSP-CYBMUJFWSA-N 1 0 331.376 2.107 10 5 EEBERO COc1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194315272 463834804 /nfs/dbraw/zinc/83/48/04/463834804.db2.gz SRWPZKUOQMMBNZ-SJLPKXTDSA-N 1 0 346.383 2.096 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c1 ZINC000590971145 468387630 /nfs/dbraw/zinc/38/76/30/468387630.db2.gz OXHONFXEMQQMJL-GJZGRUSLSA-N 1 0 334.372 2.429 10 5 EEBERO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000179165714 464072870 /nfs/dbraw/zinc/07/28/70/464072870.db2.gz YCNZEFULRATYAZ-HNNXBMFYSA-N 1 0 342.399 2.315 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172804069 464145727 /nfs/dbraw/zinc/14/57/27/464145727.db2.gz UASQARLIBRQNEL-MRXNPFEDSA-N 1 0 346.431 2.402 10 5 EEBERO Cc1cc(OCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000281654642 464537229 /nfs/dbraw/zinc/53/72/29/464537229.db2.gz NCIATWIIBNMKNH-ZIAGYGMSSA-N 1 0 335.404 2.223 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554495663 468408270 /nfs/dbraw/zinc/40/82/70/468408270.db2.gz JVCCVTIFXWGOBB-AWEZNQCLSA-N 1 0 335.404 2.354 10 5 EEBERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183200898 464821151 /nfs/dbraw/zinc/82/11/51/464821151.db2.gz DGEUGTHINCHQEK-TVQRCGJNSA-N 1 0 327.768 2.344 10 5 EEBERO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000266945247 464881275 /nfs/dbraw/zinc/88/12/75/464881275.db2.gz RELPHBHUSZRXDM-OAUYIBNBSA-N 1 0 348.378 2.374 10 5 EEBERO C[C@@H]1CCC[N@H+](CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298703034 465478193 /nfs/dbraw/zinc/47/81/93/465478193.db2.gz IBUWXKKVRYIUFG-GFCCVEGCSA-N 1 0 335.408 2.013 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000360136121 465539510 /nfs/dbraw/zinc/53/95/10/465539510.db2.gz SSWQYBGJWWPTLX-HNNXBMFYSA-N 1 0 339.417 2.231 10 5 EEBERO Cc1c(NC(=O)NC[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000591304516 468443857 /nfs/dbraw/zinc/44/38/57/468443857.db2.gz IIVIQWUUXFJECE-LURJTMIESA-N 1 0 331.170 2.134 10 5 EEBERO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103958 468443958 /nfs/dbraw/zinc/44/39/58/468443958.db2.gz NTLJLMLAOCVRMT-QMMMGPOBSA-N 1 0 329.788 2.292 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1cccs1 ZINC000353320396 465794286 /nfs/dbraw/zinc/79/42/86/465794286.db2.gz WWANVNTVHUIVSN-HZMBPMFUSA-N 1 0 349.416 2.192 10 5 EEBERO C[NH+](C)C1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000353381193 465845351 /nfs/dbraw/zinc/84/53/51/465845351.db2.gz MBWISYRMXCWTDM-UHFFFAOYSA-N 1 0 343.330 2.410 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)n1 ZINC000345769329 465901252 /nfs/dbraw/zinc/90/12/52/465901252.db2.gz SHSGQXDTNNCNID-UHFFFAOYSA-N 1 0 349.435 2.199 10 5 EEBERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301235018 465926630 /nfs/dbraw/zinc/92/66/30/465926630.db2.gz LGTHJUNJYGYTRB-XQQFMLRXSA-N 1 0 334.420 2.472 10 5 EEBERO C[NH+](C)CC1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331155883 465958487 /nfs/dbraw/zinc/95/84/87/465958487.db2.gz VRTPDZUDPCNBCG-UHFFFAOYSA-N 1 0 341.358 2.216 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N[C@H]3CC[N@H+](CC4CCCC4)C3)nn21 ZINC000301965974 466069974 /nfs/dbraw/zinc/06/99/74/466069974.db2.gz KIYGMIREOFXAIT-ZDUSSCGKSA-N 1 0 330.392 2.314 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000363224346 466291738 /nfs/dbraw/zinc/29/17/38/466291738.db2.gz WJRYSFQOOOVOSS-RAGMHUQYSA-N 1 0 333.388 2.015 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC(CO)(CO)C3)o2)cc1 ZINC000597219556 468483987 /nfs/dbraw/zinc/48/39/87/468483987.db2.gz TWLQFEQFTPETIC-UHFFFAOYSA-N 1 0 332.356 2.032 10 5 EEBERO C[C@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128532 466788438 /nfs/dbraw/zinc/78/84/38/466788438.db2.gz ILBGVCUVBQBPDI-SUMWQHHRSA-N 1 0 332.404 2.441 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000417844016 466953328 /nfs/dbraw/zinc/95/33/28/466953328.db2.gz HHGAFNWIGNPCMH-ZWNOBZJWSA-N 1 0 342.346 2.261 10 5 EEBERO C[C@@H]1C[N@H+](CCO)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450955063 467214806 /nfs/dbraw/zinc/21/48/06/467214806.db2.gz PBSPOKAFLAXAJX-GFCCVEGCSA-N 1 0 348.428 2.221 10 5 EEBERO CC[NH+](CC)[C@@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589494356 468156432 /nfs/dbraw/zinc/15/64/32/468156432.db2.gz PNVZSTUDAWOAOR-OAHLLOKOSA-N 1 0 335.404 2.298 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000589496192 468157181 /nfs/dbraw/zinc/15/71/81/468157181.db2.gz ZDPXOJJEDXXZTE-ZDUSSCGKSA-N 1 0 344.371 2.484 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000589503237 468158324 /nfs/dbraw/zinc/15/83/24/468158324.db2.gz LDARWBYHDIAMNB-UONOGXRCSA-N 1 0 334.372 2.240 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000590010374 468205269 /nfs/dbraw/zinc/20/52/69/468205269.db2.gz GNWSGKWRAPZWCH-CJNGLKHVSA-N 1 0 328.372 2.386 10 5 EEBERO Cc1c(CC(=O)N2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000590375528 468242934 /nfs/dbraw/zinc/24/29/34/468242934.db2.gz FBFVLLMBYSGDTK-UHFFFAOYSA-N 1 0 331.416 2.390 10 5 EEBERO COc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600468715 468566410 /nfs/dbraw/zinc/56/64/10/468566410.db2.gz GYMUQOGUOXVSBJ-CYBMUJFWSA-N 1 0 333.388 2.350 10 5 EEBERO CC(C)(C)OC(=O)C1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000592157112 468642363 /nfs/dbraw/zinc/64/23/63/468642363.db2.gz LYFTUCRYHWSPJO-UHFFFAOYSA-N 1 0 338.408 2.235 10 5 EEBERO Cc1ccc(C2([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCC2)cc1 ZINC000592189018 468649836 /nfs/dbraw/zinc/64/98/36/468649836.db2.gz SFCLIMZVFPCPTL-INIZCTEOSA-N 1 0 330.388 2.130 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476035 468705576 /nfs/dbraw/zinc/70/55/76/468705576.db2.gz LUJFAWXVGXMZJD-KFWWJZLASA-N 1 0 346.431 2.386 10 5 EEBERO CN(C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478424 468706203 /nfs/dbraw/zinc/70/62/03/468706203.db2.gz BBSVTPQSSLIUBU-YOEHRIQHSA-N 1 0 346.431 2.022 10 5 EEBERO COc1ccc(OCCN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478949 468706818 /nfs/dbraw/zinc/70/68/18/468706818.db2.gz MSDSRHJZIZSIJC-HOCLYGCPSA-N 1 0 349.431 2.446 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963216 468732416 /nfs/dbraw/zinc/73/24/16/468732416.db2.gz HVMSHSWRTAYWLK-SGIREYDYSA-N 1 0 326.368 2.390 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@H]1CCC[N@H+](C)C1 ZINC000601173960 468770794 /nfs/dbraw/zinc/77/07/94/468770794.db2.gz NHTHPEJXKDZSAJ-SECBINFHSA-N 1 0 335.330 2.491 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+](C)C1 ZINC000601200662 468779610 /nfs/dbraw/zinc/77/96/10/468779610.db2.gz FKCRCOSSUGTJLA-SECBINFHSA-N 1 0 335.330 2.491 10 5 EEBERO C[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000592898604 468818808 /nfs/dbraw/zinc/81/88/08/468818808.db2.gz JFDQQSJFTNWJQH-CQSZACIVSA-N 1 0 347.415 2.022 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000595382110 468833796 /nfs/dbraw/zinc/83/37/96/468833796.db2.gz PGUWLZDZRQZRHR-UHFFFAOYSA-N 1 0 343.449 2.302 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C2(O)CC2)CC1 ZINC000593050094 468851587 /nfs/dbraw/zinc/85/15/87/468851587.db2.gz OQHBVOFMBXYVTR-UHFFFAOYSA-N 1 0 347.415 2.469 10 5 EEBERO Cc1cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601445533 468876323 /nfs/dbraw/zinc/87/63/23/468876323.db2.gz FLWKTTAWSRQPPU-UHFFFAOYSA-N 1 0 347.462 2.116 10 5 EEBERO CC[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598531639 468903197 /nfs/dbraw/zinc/90/31/97/468903197.db2.gz NOSFRNNAOCIMJY-GXTWGEPZSA-N 1 0 333.388 2.157 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595630755 468930541 /nfs/dbraw/zinc/93/05/41/468930541.db2.gz BXLIGMFAZRKGCK-RBSFLKMASA-N 1 0 338.404 2.129 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000595635457 468932664 /nfs/dbraw/zinc/93/26/64/468932664.db2.gz VEQZCMGBUKBUTA-DAXOMENPSA-N 1 0 338.404 2.259 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595761475 468994433 /nfs/dbraw/zinc/99/44/33/468994433.db2.gz WYQPWWHEEXWBTF-SUMWQHHRSA-N 1 0 333.388 2.200 10 5 EEBERO COCC1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000595910942 469078777 /nfs/dbraw/zinc/07/87/77/469078777.db2.gz URRKOWOLHINLKD-AWEZNQCLSA-N 1 0 338.404 2.273 10 5 EEBERO Nc1c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000595935191 469090727 /nfs/dbraw/zinc/09/07/27/469090727.db2.gz BGTKQUVRFFLKDO-CYBMUJFWSA-N 1 0 332.404 2.029 10 5 EEBERO CC1(C)C[NH2+]CC[C@@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000601969862 469118443 /nfs/dbraw/zinc/11/84/43/469118443.db2.gz FUZHJMTWYXLLOQ-CYBMUJFWSA-N 1 0 335.404 2.234 10 5 EEBERO CN1CCCC[C@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1=O ZINC000601972280 469119846 /nfs/dbraw/zinc/11/98/46/469119846.db2.gz YPNGROWOHYICEQ-INIZCTEOSA-N 1 0 335.404 2.306 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCO1 ZINC000596567311 469302376 /nfs/dbraw/zinc/30/23/76/469302376.db2.gz RSAKBHAFLJMMDM-ZDUSSCGKSA-N 1 0 334.420 2.110 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCO1 ZINC000596566777 469302392 /nfs/dbraw/zinc/30/23/92/469302392.db2.gz MJFMURZBGLAOQC-CYBMUJFWSA-N 1 0 345.403 2.085 10 5 EEBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596565380 469302458 /nfs/dbraw/zinc/30/24/58/469302458.db2.gz HBXJAXPXBDXUTN-HNNXBMFYSA-N 1 0 335.404 2.344 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599621428 469312566 /nfs/dbraw/zinc/31/25/66/469312566.db2.gz BDWXIQLMAKAPOO-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639294 469318920 /nfs/dbraw/zinc/31/89/20/469318920.db2.gz BHIOCKBYQQWJHD-KBXCAEBGSA-N 1 0 347.415 2.326 10 5 EEBERO COCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603445512 469396384 /nfs/dbraw/zinc/39/63/84/469396384.db2.gz PPHSZQCMMMZDPT-ZDUSSCGKSA-N 1 0 335.404 2.130 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000532395695 485543837 /nfs/dbraw/zinc/54/38/37/485543837.db2.gz YLSMPXWNABZPBT-HNNXBMFYSA-N 1 0 332.335 2.162 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595829431 485610628 /nfs/dbraw/zinc/61/06/28/485610628.db2.gz HTULLQMJVYKPRF-KGLIPLIRSA-N 1 0 333.388 2.200 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000411560205 527813661 /nfs/dbraw/zinc/81/36/61/527813661.db2.gz XELBJRXFWNYYFJ-CYBMUJFWSA-N 1 0 335.404 2.454 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000756951648 577853734 /nfs/dbraw/zinc/85/37/34/577853734.db2.gz VIUNPRHKLDORQD-LLVKDONJSA-N 1 0 326.784 2.142 10 5 EEBERO CC[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000896853527 685396662 /nfs/dbraw/zinc/39/66/62/685396662.db2.gz NRWYKHVZMZYXFP-KRWDZBQOSA-N 1 0 347.415 2.273 10 5 EEBERO Cc1cccc(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)c1[N+](=O)[O-] ZINC000914292165 683462865 /nfs/dbraw/zinc/46/28/65/683462865.db2.gz SLYZYYJTJZFMBE-HNNXBMFYSA-N 1 0 340.401 2.098 10 5 EEBERO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000841233077 683484807 /nfs/dbraw/zinc/48/48/07/683484807.db2.gz KJSCVOAOYLBMDM-VIFPVBQESA-N 1 0 334.710 2.367 10 5 EEBERO O=C1N(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000895340690 684515767 /nfs/dbraw/zinc/51/57/67/684515767.db2.gz AKAJXCPIUUAQNC-WRLNGNIRSA-N 1 0 344.415 2.488 10 5 EEBERO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(CCF)C2)c1 ZINC000898485629 693332922 /nfs/dbraw/zinc/33/29/22/693332922.db2.gz LZQKXOGLZQDKOE-LLVKDONJSA-N 1 0 341.408 2.480 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898849376 693484685 /nfs/dbraw/zinc/48/46/85/693484685.db2.gz RYEYXQOPBKSXNJ-LSDHHAIUSA-N 1 0 333.388 2.206 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1cc(C)on1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691012038 1176491033 /nfs/dbraw/zinc/49/10/33/1176491033.db2.gz QBYVAKYPYJJPMF-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)cc(C)c1 ZINC001691181353 1177682249 /nfs/dbraw/zinc/68/22/49/1177682249.db2.gz UHFSZYBNCWOGNR-IAGOWNOFSA-N 1 0 333.432 2.297 10 5 EEBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC001267241308 1178591334 /nfs/dbraw/zinc/59/13/34/1178591334.db2.gz RKWCESKQPZWYRZ-BXUZGUMPSA-N 1 0 343.786 2.082 10 5 EEBERO Cc1ccncc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001481217075 1180309060 /nfs/dbraw/zinc/30/90/60/1180309060.db2.gz AQYFBBDDUOUWNO-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO Cc1nocc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001273146954 1197027693 /nfs/dbraw/zinc/02/76/93/1197027693.db2.gz IAAWVWROMKOFPV-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO COCC[C@@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810257656 1199380673 /nfs/dbraw/zinc/38/06/73/1199380673.db2.gz SLZNTWZSIXLEKJ-HNNXBMFYSA-N 1 0 337.420 2.205 10 5 EEBERO COc1ccc(CC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000870993493 1200996170 /nfs/dbraw/zinc/99/61/70/1200996170.db2.gz ZYNOARYHZZQPFS-SFHVURJKSA-N 1 0 349.431 2.369 10 5 EEBERO COC(=O)c1ccnc(NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000866147400 1201445940 /nfs/dbraw/zinc/44/59/40/1201445940.db2.gz QFNPWEZYYHRAKF-UHFFFAOYSA-N 1 0 336.392 2.451 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000882518264 1201888529 /nfs/dbraw/zinc/88/85/29/1201888529.db2.gz PQRULENWDHTLGG-UHFFFAOYSA-N 1 0 333.388 2.098 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC001274296603 1204988695 /nfs/dbraw/zinc/98/86/95/1204988695.db2.gz BDMSTVMPOQQOLL-LBELMTKXSA-N 1 0 329.400 2.403 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928456069 1206387566 /nfs/dbraw/zinc/38/75/66/1206387566.db2.gz LIUOKNYHJJUMSG-TZMCWYRMSA-N 1 0 332.404 2.017 10 5 EEBERO C[C@](CO)([NH2+]CCOC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000931469168 1207388974 /nfs/dbraw/zinc/38/89/74/1207388974.db2.gz ADHNPSKEICKZRW-MRXNPFEDSA-N 1 0 340.445 2.304 10 5 EEBERO Cn1nccc1C1=CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796143246 1215342488 /nfs/dbraw/zinc/34/24/88/1215342488.db2.gz OAEFCHUUCBFCMF-QGZVFWFLSA-N 1 0 328.372 2.151 10 5 EEBERO [NH3+][C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000903536299 1240836977 /nfs/dbraw/zinc/83/69/77/1240836977.db2.gz YGSCKZOBDCFDLG-STQMWFEESA-N 1 0 333.310 2.185 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(F)c1 ZINC000850348599 1277192048 /nfs/dbraw/zinc/19/20/48/1277192048.db2.gz PPOJQEWHUQFSAB-OAQYLSRUSA-N 1 0 328.287 2.135 10 5 EEBERO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850498251 1277249821 /nfs/dbraw/zinc/24/98/21/1277249821.db2.gz YYDPSYNYUUIOTQ-CWMRNNLJSA-N 1 0 339.339 2.139 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853748948 1292444473 /nfs/dbraw/zinc/44/44/73/1292444473.db2.gz UMKZOTPQLAOPHF-SNVBAGLBSA-N 1 0 334.376 2.210 10 5 EEBERO Cn1ncc2c1CC(C)(C)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000854058298 1292601244 /nfs/dbraw/zinc/60/12/44/1292601244.db2.gz IYFAHEHWQAXROM-QGZVFWFLSA-N 1 0 344.415 2.446 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000861347888 1295351960 /nfs/dbraw/zinc/35/19/60/1295351960.db2.gz BAHFUTKTJGIHRI-RDJZCZTQSA-N 1 0 336.388 2.180 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(Cc3cccc4c3CC[NH2+]C4)n2)o1 ZINC000863677541 1296382838 /nfs/dbraw/zinc/38/28/38/1296382838.db2.gz KKXADNFVMABZJO-UHFFFAOYSA-N 1 0 326.312 2.474 10 5 EEBERO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001277044332 1300998048 /nfs/dbraw/zinc/99/80/48/1300998048.db2.gz ZJBGWPKZIUCCJT-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO O=[N+]([O-])c1c(N2CC[NH2+][C@H](Cc3ccccc3)C2)nc2ccccn21 ZINC001163989509 1321264427 /nfs/dbraw/zinc/26/44/27/1321264427.db2.gz CMAQXWIMHGPAAA-OAHLLOKOSA-N 1 0 337.383 2.263 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001262265230 1322266084 /nfs/dbraw/zinc/26/60/84/1322266084.db2.gz NOEUNXOWNSIBMJ-GJZGRUSLSA-N 1 0 335.379 2.410 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282294972 1325680493 /nfs/dbraw/zinc/68/04/93/1325680493.db2.gz JSDQSFLBCPCQJL-UKRRQHHQSA-N 1 0 337.395 2.065 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1cocn1 ZINC001318627351 1332569967 /nfs/dbraw/zinc/56/99/67/1332569967.db2.gz SHHXMIYQYNHLBS-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccnc1 ZINC001322384432 1333257611 /nfs/dbraw/zinc/25/76/11/1333257611.db2.gz XSXIHYGFHGWDTA-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC001349693343 1337639547 /nfs/dbraw/zinc/63/95/47/1337639547.db2.gz KNMQXWXPPGUISO-CWRNSKLLSA-N 1 0 342.399 2.006 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001349760686 1337645508 /nfs/dbraw/zinc/64/55/08/1337645508.db2.gz RVGNTIQOLVOVJB-OAHLLOKOSA-N 1 0 334.372 2.313 10 5 EEBERO Cn1cncc1CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001611515246 1352302165 /nfs/dbraw/zinc/30/21/65/1352302165.db2.gz DPLULJLGPRFYAG-UHFFFAOYSA-N 1 0 325.328 2.448 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(CO)CC[C@H](C)c2ccccc21 ZINC001620670129 1352361878 /nfs/dbraw/zinc/36/18/78/1352361878.db2.gz HUZXAUCCMFMOMQ-UGSOOPFHSA-N 1 0 344.415 2.474 10 5 EEBERO C[NH+](C)C1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC001624725550 1352428896 /nfs/dbraw/zinc/42/88/96/1352428896.db2.gz VJAGTBSXZHXQGB-UHFFFAOYSA-N 1 0 346.431 2.118 10 5 EEBERO C[C@H]1CCC[N@H+](CCCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001624782504 1352430545 /nfs/dbraw/zinc/43/05/45/1352430545.db2.gz GZRYQAJRAPATAW-JTQLQIEISA-N 1 0 343.815 2.213 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001640616114 1352712752 /nfs/dbraw/zinc/71/27/52/1352712752.db2.gz YLJFXOXNTOFPAI-CQSZACIVSA-N 1 0 332.404 2.314 10 5 EEBERO C[C@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001648138900 1353418082 /nfs/dbraw/zinc/41/80/82/1353418082.db2.gz CIQZMJMTLMSGIF-FZMZJTMJSA-N 1 0 329.360 2.243 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652275101 1354084997 /nfs/dbraw/zinc/08/49/97/1354084997.db2.gz LJZLWEQGGBROLO-QMMMGPOBSA-N 1 0 332.187 2.469 10 5 EEBERO Cc1ccc(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001698722076 1405026595 /nfs/dbraw/zinc/02/65/95/1405026595.db2.gz VOCPYNJEDTZZRR-QZTJIDSGSA-N 1 0 345.443 2.379 10 5 EEBERO Cc1cc(CC(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001698982970 1405199381 /nfs/dbraw/zinc/19/93/81/1405199381.db2.gz BQDIFPCHKUDKJO-UHFFFAOYSA-N 1 0 346.387 2.024 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccnc1 ZINC001698985460 1405201834 /nfs/dbraw/zinc/20/18/34/1405201834.db2.gz LOICPYLCGWPDIL-UHFFFAOYSA-N 1 0 342.399 2.123 10 5 EEBERO COCC[N@H+](C)CCCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000785239229 761408237 /nfs/dbraw/zinc/40/82/37/761408237.db2.gz MMFLJLJIQAHPIQ-YPKPFQOOSA-N 1 0 335.404 2.083 10 5 EEBERO C[N@H+]1C[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000907806125 784859413 /nfs/dbraw/zinc/85/94/13/784859413.db2.gz XUKGYHSASDBDCH-BETUJISGSA-N 1 0 337.807 2.201 10 5 EEBERO CON1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000709325452 786948562 /nfs/dbraw/zinc/94/85/62/786948562.db2.gz NJWANIHEWODLOX-UHFFFAOYSA-N 1 0 344.209 2.473 10 5 EEBERO CC(C)Oc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)ccc1[N+](=O)[O-] ZINC000912904640 788483179 /nfs/dbraw/zinc/48/31/79/788483179.db2.gz SLIICDXSAUXFBL-CQSZACIVSA-N 1 0 333.388 2.302 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913279723 788739649 /nfs/dbraw/zinc/73/96/49/788739649.db2.gz WKEILXSIAZCHBC-QZTJIDSGSA-N 1 0 347.415 2.407 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913275730 788751634 /nfs/dbraw/zinc/75/16/34/788751634.db2.gz VVQOSODTDZDLJU-OGWHTMIXSA-N 1 0 343.427 2.499 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000174282141 792055366 /nfs/dbraw/zinc/05/53/66/792055366.db2.gz MJJUTRGXJMPUSX-CQSZACIVSA-N 1 0 336.388 2.417 10 5 EEBERO CCn1ccc(C(=O)NCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001566498248 1125666507 /nfs/dbraw/zinc/66/65/07/1125666507.db2.gz YQCIWDCJOGJTPV-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC001447757869 1103241795 /nfs/dbraw/zinc/24/17/95/1103241795.db2.gz DZPOAEKFEMJVFA-UHFFFAOYSA-N 1 0 342.399 2.332 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC001493290479 1107866417 /nfs/dbraw/zinc/86/64/17/1107866417.db2.gz IHQALDQNLNEPOY-IAGOWNOFSA-N 1 0 333.432 2.297 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000423650372 291281023 /nfs/dbraw/zinc/28/10/23/291281023.db2.gz UPGCMIDBSZTWKP-IPYPFGDCSA-N 1 0 346.431 2.393 10 5 EEBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425348934 241133606 /nfs/dbraw/zinc/13/36/06/241133606.db2.gz CWBBIWUMMLSVFV-SECBINFHSA-N 1 0 339.302 2.304 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451903149 243303289 /nfs/dbraw/zinc/30/32/89/243303289.db2.gz PLAFFDQWJMTSJH-CXAGYDPISA-N 1 0 333.388 2.424 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@](O)(CO)C2)o1 ZINC000459745225 245232825 /nfs/dbraw/zinc/23/28/25/245232825.db2.gz ZZSGNYASUDTVAJ-QGZVFWFLSA-N 1 0 332.356 2.174 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000080497303 217308587 /nfs/dbraw/zinc/30/85/87/217308587.db2.gz KYRCBCRGDOIKPC-UHFFFAOYSA-N 1 0 348.447 2.269 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000249204373 160376519 /nfs/dbraw/zinc/37/65/19/160376519.db2.gz AVOAOJMXQUAEEM-HOTGVXAUSA-N 1 0 342.399 2.224 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246370751 160276308 /nfs/dbraw/zinc/27/63/08/160276308.db2.gz NYTGVHWWMVDGBM-HNNXBMFYSA-N 1 0 332.404 2.012 10 5 EEBERO C[N@H+](CCc1nnnn1-c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000338387839 160751928 /nfs/dbraw/zinc/75/19/28/160751928.db2.gz VCMONKXHADMLTA-UHFFFAOYSA-N 1 0 338.371 2.245 10 5 EEBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1n1cccn1 ZINC000339591270 160851724 /nfs/dbraw/zinc/85/17/24/160851724.db2.gz ANWMSXYQXFLADR-BZUAXINKSA-N 1 0 334.351 2.439 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122699410 222140526 /nfs/dbraw/zinc/14/05/26/222140526.db2.gz DJMHLGQOPBUXAC-NXEZZACHSA-N 1 0 327.331 2.428 10 5 EEBERO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000278382082 269228269 /nfs/dbraw/zinc/22/82/69/269228269.db2.gz UKAYVEVAULUSRU-CKEIUWERSA-N 1 0 338.404 2.002 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000269466518 274113726 /nfs/dbraw/zinc/11/37/26/274113726.db2.gz IEGVANXHDJSZOJ-YOGCLGLASA-N 1 0 335.408 2.186 10 5 EEBERO C[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000277487031 274297543 /nfs/dbraw/zinc/29/75/43/274297543.db2.gz OOSUTOGRKRHGSZ-MFKMUULPSA-N 1 0 325.340 2.077 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000289486032 275120481 /nfs/dbraw/zinc/12/04/81/275120481.db2.gz CGVNSHQNMVIHRO-QGZVFWFLSA-N 1 0 337.395 2.466 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000290860033 275246954 /nfs/dbraw/zinc/24/69/54/275246954.db2.gz OXVRTSMKWCFHAQ-KRWDZBQOSA-N 1 0 337.395 2.466 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000366598052 280118516 /nfs/dbraw/zinc/11/85/16/280118516.db2.gz NFEJREREMOWTCY-XJKSGUPXSA-N 1 0 340.383 2.383 10 5 EEBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293105134 293127047 /nfs/dbraw/zinc/12/70/47/293127047.db2.gz YCIDBTTWNIRROE-MLGOLLRUSA-N 1 0 331.376 2.077 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000302092649 294929005 /nfs/dbraw/zinc/92/90/05/294929005.db2.gz MRFHZKRDSQACFC-UHFFFAOYSA-N 1 0 342.355 2.103 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417728879 313577806 /nfs/dbraw/zinc/57/78/06/313577806.db2.gz PUOHPWSZSCMKLH-BBRMVZONSA-N 1 0 334.420 2.215 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2CCC1(C[NH3+])CC2 ZINC000565223489 319164160 /nfs/dbraw/zinc/16/41/60/319164160.db2.gz XAWLAIAHANGYFF-UHFFFAOYSA-N 1 0 346.431 2.435 10 5 EEBERO NC(=O)[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000567426171 319378302 /nfs/dbraw/zinc/37/83/02/319378302.db2.gz JFXDRXXODLLXFC-KRWDZBQOSA-N 1 0 338.367 2.435 10 5 EEBERO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000574837245 320061932 /nfs/dbraw/zinc/06/19/32/320061932.db2.gz TYJAMJPKKMJDAD-OAHLLOKOSA-N 1 0 332.335 2.162 10 5 EEBERO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+](C)C)cc1OC ZINC000182027743 323362786 /nfs/dbraw/zinc/36/27/86/323362786.db2.gz ZOBPAXZEGWWTGX-UHFFFAOYSA-N 1 0 339.392 2.026 10 5 EEBERO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358303003 465047093 /nfs/dbraw/zinc/04/70/93/465047093.db2.gz UHYCNUKYTOZDGV-GFCCVEGCSA-N 1 0 326.418 2.460 10 5 EEBERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351645034 465269033 /nfs/dbraw/zinc/26/90/33/465269033.db2.gz ULMLBTNAJZHMOJ-AWEZNQCLSA-N 1 0 343.387 2.102 10 5 EEBERO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000113227386 462578073 /nfs/dbraw/zinc/57/80/73/462578073.db2.gz ORNCJAOHDDJGPW-JQWIXIFHSA-N 1 0 348.359 2.120 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268323 462582791 /nfs/dbraw/zinc/58/27/91/462582791.db2.gz YWLXWTAGVHUTMA-ZFWWWQNUSA-N 1 0 332.404 2.010 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000154261390 462747624 /nfs/dbraw/zinc/74/76/24/462747624.db2.gz UBZARJJQLDWTAL-GUYCJALGSA-N 1 0 338.404 2.433 10 5 EEBERO C[NH+](C)C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000160015285 463314898 /nfs/dbraw/zinc/31/48/98/463314898.db2.gz NYINJUBDUBTLIJ-ZDUSSCGKSA-N 1 0 347.337 2.376 10 5 EEBERO O=[N+]([O-])c1cc(I)ccc1NCC[NH2+]C1CC1 ZINC000097349215 463355490 /nfs/dbraw/zinc/35/54/90/463355490.db2.gz OWLRCNJHPLGUEC-UHFFFAOYSA-N 1 0 347.156 2.363 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000124998169 463489840 /nfs/dbraw/zinc/48/98/40/463489840.db2.gz UUUWXLWBRATKCK-IUODEOHRSA-N 1 0 333.388 2.094 10 5 EEBERO CC[NH+](CC)CCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000058158192 463545722 /nfs/dbraw/zinc/54/57/22/463545722.db2.gz BKHURCCJOSFZMH-UHFFFAOYSA-N 1 0 331.376 2.385 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000287109968 463803264 /nfs/dbraw/zinc/80/32/64/463803264.db2.gz ZOKCZGKKZARCGI-LLVKDONJSA-N 1 0 334.376 2.147 10 5 EEBERO O=[N+]([O-])c1ccccc1OCCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261711276 463835592 /nfs/dbraw/zinc/83/55/92/463835592.db2.gz KLUOBHYPUXECRK-INIZCTEOSA-N 1 0 328.372 2.015 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000173266437 464224065 /nfs/dbraw/zinc/22/40/65/464224065.db2.gz TXMOEMWMLXYFCX-OLZOCXBDSA-N 1 0 341.433 2.006 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000237058938 464258955 /nfs/dbraw/zinc/25/89/55/464258955.db2.gz YNQCDBBCNXBXRT-UHFFFAOYSA-N 1 0 334.420 2.442 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C1CC1 ZINC000180584867 464341998 /nfs/dbraw/zinc/34/19/98/464341998.db2.gz VVNHISFVAZATRO-LSDHHAIUSA-N 1 0 327.388 2.112 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)NC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181545404 464505472 /nfs/dbraw/zinc/50/54/72/464505472.db2.gz STJKODOEQVOHET-CQSZACIVSA-N 1 0 336.392 2.117 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000599917475 468413238 /nfs/dbraw/zinc/41/32/38/468413238.db2.gz QAKQEOYBELIYEU-JKSUJKDBSA-N 1 0 334.420 2.357 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000177005209 464903752 /nfs/dbraw/zinc/90/37/52/464903752.db2.gz NVRKNNWMFGWCIJ-LBPRGKRZSA-N 1 0 336.348 2.059 10 5 EEBERO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000298207161 465331283 /nfs/dbraw/zinc/33/12/83/465331283.db2.gz YQFATPKXXGTFDC-INIZCTEOSA-N 1 0 334.420 2.053 10 5 EEBERO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347951929 465331648 /nfs/dbraw/zinc/33/16/48/465331648.db2.gz QFIQSQMLOUTRFC-QGZVFWFLSA-N 1 0 346.431 2.340 10 5 EEBERO CC[NH+](CC)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597095397 468441446 /nfs/dbraw/zinc/44/14/46/468441446.db2.gz VISYEVWPVVEGQZ-UHFFFAOYSA-N 1 0 329.788 2.294 10 5 EEBERO C[NH+]1CCC(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094748 468442160 /nfs/dbraw/zinc/44/21/60/468442160.db2.gz JJTAURSXKKKURK-UHFFFAOYSA-N 1 0 341.799 2.294 10 5 EEBERO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000348658239 465731819 /nfs/dbraw/zinc/73/18/19/465731819.db2.gz WAPIZAZRDPTVLM-UHFFFAOYSA-N 1 0 343.387 2.234 10 5 EEBERO COC[C@H](CC1CCOCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597118539 468449832 /nfs/dbraw/zinc/44/98/32/468449832.db2.gz XUIIKNPCHWLJEG-ZDUSSCGKSA-N 1 0 348.403 2.392 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCCO1 ZINC000594041079 468469280 /nfs/dbraw/zinc/46/92/80/468469280.db2.gz CEFUHXFRQDXARL-WBVHZDCISA-N 1 0 347.415 2.421 10 5 EEBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000362870726 466087030 /nfs/dbraw/zinc/08/70/30/466087030.db2.gz HHQFKDTZPHSTGJ-MRXNPFEDSA-N 1 0 343.431 2.388 10 5 EEBERO C[C@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)C1O ZINC000597205087 468479365 /nfs/dbraw/zinc/47/93/65/468479365.db2.gz LKLWUDJBMNUHRU-STQMWFEESA-N 1 0 344.415 2.444 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594106845 468486118 /nfs/dbraw/zinc/48/61/18/468486118.db2.gz AJNRECWNYKQRCP-BJHJDKERSA-N 1 0 336.392 2.455 10 5 EEBERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338873927 466448055 /nfs/dbraw/zinc/44/80/55/466448055.db2.gz XZMZLZWMDYJPBA-VXGBXAGGSA-N 1 0 328.372 2.433 10 5 EEBERO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422916784 466687124 /nfs/dbraw/zinc/68/71/24/466687124.db2.gz FAYGJMQCVBWJOV-ZWKOTPCHSA-N 1 0 333.432 2.274 10 5 EEBERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375151707 466822820 /nfs/dbraw/zinc/82/28/20/466822820.db2.gz JVJLFFSQULPFER-GUYCJALGSA-N 1 0 340.383 2.240 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(NC[C@H]3CCC[N@@H+]3C3CCCCC3)nn21 ZINC000373744609 466907338 /nfs/dbraw/zinc/90/73/38/466907338.db2.gz JIRQLIKCQOGQNV-CQSZACIVSA-N 1 0 344.419 2.847 10 5 EEBERO COc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423978115 466934721 /nfs/dbraw/zinc/93/47/21/466934721.db2.gz QFYVIILLCXAQKY-KGLIPLIRSA-N 1 0 333.388 2.208 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414333057 467403310 /nfs/dbraw/zinc/40/33/10/467403310.db2.gz HFDOUKKNUTVCDO-UMVBOHGHSA-N 1 0 335.404 2.453 10 5 EEBERO O=[N+]([O-])c1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000397685002 467443188 /nfs/dbraw/zinc/44/31/88/467443188.db2.gz NFYCJVZQVKOIFT-UHFFFAOYSA-N 1 0 342.399 2.429 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487738617 468051655 /nfs/dbraw/zinc/05/16/55/468051655.db2.gz KTARNSCNZODAKL-ZDUSSCGKSA-N 1 0 332.404 2.070 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000589509594 468158303 /nfs/dbraw/zinc/15/83/03/468158303.db2.gz PESXWBHCCSOGTQ-CJNGLKHVSA-N 1 0 336.388 2.364 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000589501957 468158439 /nfs/dbraw/zinc/15/84/39/468158439.db2.gz LXSNADUBGLEHBL-IUODEOHRSA-N 1 0 335.404 2.296 10 5 EEBERO CCN1CC[NH+](C[C@@H](C)CNc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000583470732 468701464 /nfs/dbraw/zinc/70/14/64/468701464.db2.gz AGEFZEHGHVLHKR-AWEZNQCLSA-N 1 0 336.436 2.289 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595221610 468788015 /nfs/dbraw/zinc/78/80/15/468788015.db2.gz AFCCDLLJINVHTL-CQSZACIVSA-N 1 0 332.404 2.150 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@@H](C)CO)CC2)c1 ZINC000593085100 468864707 /nfs/dbraw/zinc/86/47/07/468864707.db2.gz VNIKVIJSVRNYIG-LBPRGKRZSA-N 1 0 336.388 2.222 10 5 EEBERO Cc1noc(CN2CCN(CC(F)(F)F)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595516702 468884527 /nfs/dbraw/zinc/88/45/27/468884527.db2.gz AJMVVFOZJQDJLH-VIFPVBQESA-N 1 0 336.314 2.207 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595523169 468887862 /nfs/dbraw/zinc/88/78/62/468887862.db2.gz PHKWZZKSVKNYGT-AWEZNQCLSA-N 1 0 334.420 2.309 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595635383 468933236 /nfs/dbraw/zinc/93/32/36/468933236.db2.gz ULZCYESIFWZRRQ-NILFDRSVSA-N 1 0 326.368 2.390 10 5 EEBERO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c2c(c1)COCO2 ZINC000595752663 468987899 /nfs/dbraw/zinc/98/78/99/468987899.db2.gz VDXJPVRSHNOIED-KRWDZBQOSA-N 1 0 334.372 2.198 10 5 EEBERO COc1cccc([C@]2(C)CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000595765471 468997944 /nfs/dbraw/zinc/99/79/44/468997944.db2.gz LIOLANPMXVQYGR-QGZVFWFLSA-N 1 0 330.388 2.464 10 5 EEBERO CC(C)C[N@H+](C)CCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000593479402 468999101 /nfs/dbraw/zinc/99/91/01/468999101.db2.gz DALSSYSOPLIKAX-UHFFFAOYSA-N 1 0 333.392 2.633 10 5 EEBERO COC1CCC(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000572834754 469003782 /nfs/dbraw/zinc/00/37/82/469003782.db2.gz YZLMLWPBCNTFJK-SHARSMKWSA-N 1 0 338.404 2.129 10 5 EEBERO C[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000601774770 469018093 /nfs/dbraw/zinc/01/80/93/469018093.db2.gz DMXYSKFNWPDFNK-KSSFIOAISA-N 1 0 349.431 2.183 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601791075 469027938 /nfs/dbraw/zinc/02/79/38/469027938.db2.gz GCZJQVKRHUHXDT-UHFFFAOYSA-N 1 0 335.404 2.306 10 5 EEBERO CC[C@H](C[NH+]1CCCC1)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000587979778 469097642 /nfs/dbraw/zinc/09/76/42/469097642.db2.gz LFFFXASOJPDGSQ-GFCCVEGCSA-N 1 0 336.392 2.371 10 5 EEBERO CC1(C)[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000596065158 469136088 /nfs/dbraw/zinc/13/60/88/469136088.db2.gz FDTRQWGEWSALBN-WCQYABFASA-N 1 0 330.331 2.215 10 5 EEBERO C[NH+](C)CC1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000615505754 469250751 /nfs/dbraw/zinc/25/07/51/469250751.db2.gz KHXKNFHIPQZKIL-UHFFFAOYSA-N 1 0 335.407 2.315 10 5 EEBERO O=[N+]([O-])c1ccc2c(ccnc2N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000596539274 469296645 /nfs/dbraw/zinc/29/66/45/469296645.db2.gz NVCPJDLDLKDFIA-MRXNPFEDSA-N 1 0 342.399 2.178 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CCO1 ZINC000596566778 469302653 /nfs/dbraw/zinc/30/26/53/469302653.db2.gz MJFMURZBGLAOQC-ZDUSSCGKSA-N 1 0 345.403 2.085 10 5 EEBERO COc1ccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000599598748 469304725 /nfs/dbraw/zinc/30/47/25/469304725.db2.gz SZFYPDPHDCYCKB-UHFFFAOYSA-N 1 0 349.362 2.429 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000612121948 469400151 /nfs/dbraw/zinc/40/01/51/469400151.db2.gz YIBUAXZZNBIBBU-NEPJUHHUSA-N 1 0 346.330 2.038 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595828770 485610445 /nfs/dbraw/zinc/61/04/45/485610445.db2.gz LTIORCMXVJKZDD-CQSZACIVSA-N 1 0 347.371 2.202 10 5 EEBERO CC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000233958061 490701458 /nfs/dbraw/zinc/70/14/58/490701458.db2.gz WMEPSFGXWLUJMM-SCZZXKLOSA-N 1 0 329.198 2.316 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000160283833 527981432 /nfs/dbraw/zinc/98/14/32/527981432.db2.gz KDEMMGKMSSTYPB-LLVKDONJSA-N 1 0 347.462 2.055 10 5 EEBERO CC(C)c1ccc(C[NH2+][C@@H]2C(=O)NCC23CCOCC3)cc1[N+](=O)[O-] ZINC000895773509 684718993 /nfs/dbraw/zinc/71/89/93/684718993.db2.gz RFNYWFUYUGMJCZ-MRXNPFEDSA-N 1 0 347.415 2.103 10 5 EEBERO Cc1cnccc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001266692070 1177212789 /nfs/dbraw/zinc/21/27/89/1177212789.db2.gz FOCWPTUNOOZBLA-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccc[nH]1 ZINC001267365992 1178855970 /nfs/dbraw/zinc/85/59/70/1178855970.db2.gz UOUMFTHHJYKAHC-BQYQJAHWSA-N 1 0 328.372 2.184 10 5 EEBERO COC1(CC(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001670772507 1181163481 /nfs/dbraw/zinc/16/34/81/1181163481.db2.gz WSSQGFKHVARAOS-UHFFFAOYSA-N 1 0 347.415 2.292 10 5 EEBERO COCC(=O)N1CCC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001269805186 1184631917 /nfs/dbraw/zinc/63/19/17/1184631917.db2.gz SWRWVRGEMYEQAJ-UHFFFAOYSA-N 1 0 341.433 2.021 10 5 EEBERO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001484180665 1191258805 /nfs/dbraw/zinc/25/88/05/1191258805.db2.gz GEDMMOJXWZNDCF-BNNQUZSASA-N 1 0 347.415 2.316 10 5 EEBERO CCN(CC[NH2+]Cc1sccc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273373827 1198386731 /nfs/dbraw/zinc/38/67/31/1198386731.db2.gz FKDXDFYFISLANF-MWLCHTKSSA-N 1 0 331.825 2.005 10 5 EEBERO C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000809982682 1199175281 /nfs/dbraw/zinc/17/52/81/1199175281.db2.gz WRSWNEYIYIYNRL-JTQLQIEISA-N 1 0 348.230 2.400 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000866386648 1201505475 /nfs/dbraw/zinc/50/54/75/1201505475.db2.gz DFDSWMNAFVPPIT-HZMBPMFUSA-N 1 0 337.351 2.238 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000866397137 1201507605 /nfs/dbraw/zinc/50/76/05/1201507605.db2.gz CXZDBZICZXAZNH-XHDPSFHLSA-N 1 0 335.379 2.408 10 5 EEBERO Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868355179 1201796866 /nfs/dbraw/zinc/79/68/66/1201796866.db2.gz PJSOWLRDKMOWTN-AWEZNQCLSA-N 1 0 332.404 2.187 10 5 EEBERO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149050842 1202190988 /nfs/dbraw/zinc/19/09/88/1202190988.db2.gz DUHYXGQDKCVKLG-UWVGGRQHSA-N 1 0 343.815 2.164 10 5 EEBERO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)nn1 ZINC000929986033 1206525570 /nfs/dbraw/zinc/52/55/70/1206525570.db2.gz DYNPUYWPJWBTCL-AWEZNQCLSA-N 1 0 328.376 2.083 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931312139 1206623724 /nfs/dbraw/zinc/62/37/24/1206623724.db2.gz VHOBDBRWJXYCPQ-HDICACEKSA-N 1 0 346.431 2.115 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900295213 1234171194 /nfs/dbraw/zinc/17/11/94/1234171194.db2.gz ZNABUFGFDJHROO-DZGCQCFKSA-N 1 0 333.388 2.237 10 5 EEBERO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCCCC1 ZINC000801845333 1236279281 /nfs/dbraw/zinc/27/92/81/1236279281.db2.gz LVGHSALZTPUSFQ-UHFFFAOYSA-N 1 0 338.383 2.310 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850495314 1277245855 /nfs/dbraw/zinc/24/58/55/1277245855.db2.gz ZRNZVCHYGWAVIT-SAHAZLINSA-N 1 0 336.335 2.483 10 5 EEBERO CC[C@@](C)(CC(=O)OC)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001191899978 1281694814 /nfs/dbraw/zinc/69/48/14/1281694814.db2.gz PEUJFFIVPNMPQG-INIZCTEOSA-N 1 0 340.376 2.304 10 5 EEBERO CC1CC[NH+](CC[C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001196934541 1284345831 /nfs/dbraw/zinc/34/58/31/1284345831.db2.gz BJHGEEFQGFQCTN-INIZCTEOSA-N 1 0 335.452 2.378 10 5 EEBERO Cc1c(C[NH+]2CCC(O)(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC001197449211 1284596121 /nfs/dbraw/zinc/59/61/21/1284596121.db2.gz IHORCCPSMYNMGY-UHFFFAOYSA-N 1 0 330.388 2.120 10 5 EEBERO Cn1cnnc1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001197949387 1284908283 /nfs/dbraw/zinc/90/82/83/1284908283.db2.gz ZFDKGXGUMUJMNB-UHFFFAOYSA-N 1 0 329.404 2.221 10 5 EEBERO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2OC)c([N+](=O)[O-])cc1O ZINC000853092968 1292278043 /nfs/dbraw/zinc/27/80/43/1292278043.db2.gz XBJOXIDZXKYOOO-OAHLLOKOSA-N 1 0 348.355 2.141 10 5 EEBERO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853966250 1292560881 /nfs/dbraw/zinc/56/08/81/1292560881.db2.gz QZNAICUAAAKFED-NSHDSACASA-N 1 0 343.786 2.423 10 5 EEBERO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3[NH2+]Cc4ccccc43)n2)n1C ZINC000854153577 1292649230 /nfs/dbraw/zinc/64/92/30/1292649230.db2.gz OALUZULOICAKLN-LBPRGKRZSA-N 1 0 340.343 2.074 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000856427845 1293523809 /nfs/dbraw/zinc/52/38/09/1293523809.db2.gz HHCZJZBMHKZBMU-JEJOPICUSA-N 1 0 347.415 2.177 10 5 EEBERO Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858041266 1293992412 /nfs/dbraw/zinc/99/24/12/1293992412.db2.gz JIPQGXQODDJEHL-SJORKVTESA-N 1 0 343.383 2.485 10 5 EEBERO CC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC001277201856 1301792479 /nfs/dbraw/zinc/79/24/79/1301792479.db2.gz BNNVUZMXHZCGRV-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000798215609 1304950805 /nfs/dbraw/zinc/95/08/05/1304950805.db2.gz BZRWKKVPEWXAJS-NSHDSACASA-N 1 0 326.353 2.008 10 5 EEBERO Cc1c[nH]nc1C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001280806856 1324531007 /nfs/dbraw/zinc/53/10/07/1324531007.db2.gz YYHTYIUWFKZLAJ-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC001558503799 1342479128 /nfs/dbraw/zinc/47/91/28/1342479128.db2.gz RIMNMDZMHRMYNB-OAHLLOKOSA-N 1 0 330.388 2.075 10 5 EEBERO CCc1cc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC001567592356 1342789146 /nfs/dbraw/zinc/78/91/46/1342789146.db2.gz WFAITQXCHWDTHF-UHFFFAOYSA-N 1 0 338.389 2.069 10 5 EEBERO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CC(C)C ZINC001628244200 1352527231 /nfs/dbraw/zinc/52/72/31/1352527231.db2.gz XXKZANQONLAJCK-SNVBAGLBSA-N 1 0 345.831 2.458 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1C[NH+]2CCC1CC2 ZINC001651509864 1354055369 /nfs/dbraw/zinc/05/53/69/1354055369.db2.gz SENVZZWDKOGDFZ-CYBMUJFWSA-N 1 0 333.388 2.444 10 5 EEBERO CN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001663179939 1354932017 /nfs/dbraw/zinc/93/20/17/1354932017.db2.gz HJSFKBAQKHHEHI-DGCLKSJQSA-N 1 0 346.214 2.207 10 5 EEBERO CCC1(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001664272792 1355127630 /nfs/dbraw/zinc/12/76/30/1355127630.db2.gz VSZWVGOIUQQGNC-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CCc1oncc1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001669070301 1356083472 /nfs/dbraw/zinc/08/34/72/1356083472.db2.gz RWMVIKXXRIOTRT-ONEGZZNKSA-N 1 0 344.371 2.221 10 5 EEBERO C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2cccs2)c2ccccc2)C1 ZINC000001999538 717092024 /nfs/dbraw/zinc/09/20/24/717092024.db2.gz IGWCFPFGZULDHY-QAPCUYQASA-N 1 0 332.445 2.376 10 5 in-man EEBERO Cc1nn(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000840190020 782370868 /nfs/dbraw/zinc/37/08/68/782370868.db2.gz TZMWVBITOIIWHZ-ZDUSSCGKSA-N 1 0 345.403 2.199 10 5 EEBERO Cc1c(C(=O)N2CC3CCC2(C[NH3+])CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846681083 790383272 /nfs/dbraw/zinc/38/32/72/790383272.db2.gz ORPNSAHOEJSUFR-UHFFFAOYSA-N 1 0 348.359 2.155 10 5 EEBERO CC(=O)C1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000846946244 790765157 /nfs/dbraw/zinc/76/51/57/790765157.db2.gz IXNPAWVJXBFFMG-UHFFFAOYSA-N 1 0 347.371 2.194 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000824584003 788247132 /nfs/dbraw/zinc/24/71/32/788247132.db2.gz USGRBMSBCYOCGB-CQSZACIVSA-N 1 0 327.812 2.185 10 5 EEBERO CNc1nccc(C(=O)N2[C@@H](CC[NH+](C)C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000912650176 788282127 /nfs/dbraw/zinc/28/21/27/788282127.db2.gz JCCGDPAKRAMHNL-QWHCGFSZSA-N 1 0 349.435 2.366 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000912882922 788435600 /nfs/dbraw/zinc/43/56/00/788435600.db2.gz LZTMXTPGPRAUPK-UHFFFAOYSA-N 1 0 347.415 2.369 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913274934 788750107 /nfs/dbraw/zinc/75/01/07/788750107.db2.gz QYWSORSZNBECPH-CALCHBBNSA-N 1 0 335.379 2.077 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000921839169 796901689 /nfs/dbraw/zinc/90/16/89/796901689.db2.gz XVKFMHYODWLPHK-MFKMUULPSA-N 1 0 340.811 2.183 10 5 EEBERO CC1([NH+]2CCC2)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000922174991 799644191 /nfs/dbraw/zinc/64/41/91/799644191.db2.gz XKGPYSHOJVTPPD-UHFFFAOYSA-N 1 0 332.404 2.094 10 5 EEBERO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788631433 807615602 /nfs/dbraw/zinc/61/56/02/807615602.db2.gz MENPRDIUCIWQEM-GFCCVEGCSA-N 1 0 328.372 2.258 10 5 EEBERO CCOC(=O)CC1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000789389695 807963158 /nfs/dbraw/zinc/96/31/58/807963158.db2.gz XIAGCBHVHZIUCZ-HNNXBMFYSA-N 1 0 336.388 2.484 10 5 EEBERO CC1(C)CN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC[NH2+]1 ZINC001566248265 1125592084 /nfs/dbraw/zinc/59/20/84/1125592084.db2.gz KGOGQQWKSNYBRN-UHFFFAOYSA-N 1 0 328.372 2.154 10 5 EEBERO Nc1c(C(=O)NCCC[NH+]2CCCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001440652803 1093923992 /nfs/dbraw/zinc/92/39/92/1093923992.db2.gz STLPIJYOMPWRFI-UHFFFAOYSA-N 1 0 344.774 2.185 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccncc1 ZINC001498504069 1107646174 /nfs/dbraw/zinc/64/61/74/1107646174.db2.gz DQMUVTWSERJJBD-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO CCCc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001493746662 1108615890 /nfs/dbraw/zinc/61/58/90/1108615890.db2.gz RUOLNGXKPUTNKT-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@H](CO)C2)o1 ZINC001459539275 1110213112 /nfs/dbraw/zinc/21/31/12/1110213112.db2.gz LDSNZBGDTTWBLR-VIFPVBQESA-N 1 0 338.751 2.112 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC001460554274 1110310665 /nfs/dbraw/zinc/31/06/65/1110310665.db2.gz FGWQWHUZBNZSPJ-SECBINFHSA-N 1 0 331.332 2.297 10 5 EEBERO COC(=O)[C@@]1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001473712480 1110578974 /nfs/dbraw/zinc/57/89/74/1110578974.db2.gz DQQGHOSEARYORH-GUYCJALGSA-N 1 0 336.388 2.495 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cncs1 ZINC001499171386 1112161676 /nfs/dbraw/zinc/16/16/76/1112161676.db2.gz TZWYUDSFYUDQMF-UHFFFAOYSA-N 1 0 332.385 2.104 10 5 EEBERO CCN(CC[NH2+]Cc1ccc2ccccc2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568742099 1124754789 /nfs/dbraw/zinc/75/47/89/1124754789.db2.gz LIIWHIPHEDXYAF-QZTJIDSGSA-N 1 0 341.411 2.443 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000041677937 213461363 /nfs/dbraw/zinc/46/13/63/213461363.db2.gz NREWUQSXOPAUJP-UHFFFAOYSA-N 1 0 344.209 2.429 10 5 EEBERO O=[N+]([O-])c1ccc2nc(-c3ccco3)c(CN3CCC[NH2+]CC3)n2c1 ZINC000040686387 213368947 /nfs/dbraw/zinc/36/89/47/213368947.db2.gz OLEDWGVABZHWER-UHFFFAOYSA-N 1 0 341.371 2.298 10 5 EEBERO CCC([NH3+])(CC)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193299228 240098079 /nfs/dbraw/zinc/09/80/79/240098079.db2.gz UDPMXEIJDPKKFY-UHFFFAOYSA-N 1 0 349.840 2.352 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451343713 243083275 /nfs/dbraw/zinc/08/32/75/243083275.db2.gz OVXLSFYVSAFFSI-INMHGKMJSA-N 1 0 347.415 2.209 10 5 EEBERO COc1cc(CN2CCCC[C@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000451648029 243190412 /nfs/dbraw/zinc/19/04/12/243190412.db2.gz DAERLUFUZALSDH-ZDUSSCGKSA-N 1 0 342.417 2.003 10 5 EEBERO CC[N@@H+]1CCC[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000172621442 152101204 /nfs/dbraw/zinc/10/12/04/152101204.db2.gz KWLDEDIBZKTSCW-HNNXBMFYSA-N 1 0 334.420 2.387 10 5 EEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000128956332 292349709 /nfs/dbraw/zinc/34/97/09/292349709.db2.gz JABMGCYQCYCQFZ-NSHDSACASA-N 1 0 326.372 2.022 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000110083777 159356997 /nfs/dbraw/zinc/35/69/97/159356997.db2.gz OCYHXSSTGSGYJP-AWEZNQCLSA-N 1 0 336.392 2.136 10 5 EEBERO COc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000188722959 160127778 /nfs/dbraw/zinc/12/77/78/160127778.db2.gz VTQWYRHELLXSES-UHFFFAOYSA-N 1 0 327.340 2.137 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000247055367 160307714 /nfs/dbraw/zinc/30/77/14/160307714.db2.gz WSPWIFPSJFGSOV-HIFRSBDPSA-N 1 0 333.388 2.059 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123005683 222197905 /nfs/dbraw/zinc/19/79/05/222197905.db2.gz BLXZPBLWLPQATP-UONOGXRCSA-N 1 0 335.404 2.305 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123866731 222344340 /nfs/dbraw/zinc/34/43/40/222344340.db2.gz WZBFSRWDPFOIMM-UONOGXRCSA-N 1 0 334.420 2.338 10 5 EEBERO C[NH+](C)CCCOC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277776095 269181185 /nfs/dbraw/zinc/18/11/85/269181185.db2.gz LUFUWMVZKPZSCM-UHFFFAOYSA-N 1 0 347.419 2.408 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[N@@H+]4CCCC[C@H]4C3)o2)cc1 ZINC000246119625 274095853 /nfs/dbraw/zinc/09/58/53/274095853.db2.gz AOLLHBPVAQZMPR-HNNXBMFYSA-N 1 0 343.387 2.315 10 5 EEBERO COC(=O)c1cc(C)nc(NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000286004322 274826465 /nfs/dbraw/zinc/82/64/65/274826465.db2.gz DOKMZCIZNQNQRY-UHFFFAOYSA-N 1 0 336.392 2.370 10 5 EEBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949875 313114033 /nfs/dbraw/zinc/11/40/33/313114033.db2.gz NWDXYBQUCONEQC-WCBMZHEXSA-N 1 0 344.318 2.316 10 5 EEBERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415705683 313169820 /nfs/dbraw/zinc/16/98/20/313169820.db2.gz UBPCNWZTBDCVAR-RNFRBKRXSA-N 1 0 331.170 2.215 10 5 EEBERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000421709961 314147605 /nfs/dbraw/zinc/14/76/05/314147605.db2.gz IBNPPPNBPVAJIU-NSHDSACASA-N 1 0 343.330 2.362 10 5 EEBERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000507235116 316375823 /nfs/dbraw/zinc/37/58/23/316375823.db2.gz ZDTYVDOIBDGTPW-SWLSCSKDSA-N 1 0 341.433 2.060 10 5 EEBERO C[C@@H](CC[NH+](C)C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576545360 320181654 /nfs/dbraw/zinc/18/16/54/320181654.db2.gz JYOZLNKXJLWOPX-LBPRGKRZSA-N 1 0 347.419 2.258 10 5 EEBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCN(CC(F)(F)F)CC1 ZINC000339160327 465116842 /nfs/dbraw/zinc/11/68/42/465116842.db2.gz RFHSRGXHCFBWEK-LLVKDONJSA-N 1 0 349.357 2.044 10 5 EEBERO Cc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000064354160 462698287 /nfs/dbraw/zinc/69/82/87/462698287.db2.gz WQZUALFHJRUENG-UHFFFAOYSA-N 1 0 343.387 2.152 10 5 EEBERO O=C(NCC1(CCO)CCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000154357555 462758392 /nfs/dbraw/zinc/75/83/92/462758392.db2.gz PWVNEQULXJCPRB-UHFFFAOYSA-N 1 0 344.371 2.063 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000069704062 463306815 /nfs/dbraw/zinc/30/68/15/463306815.db2.gz XBTPUBIGMYEBMH-CHWSQXEVSA-N 1 0 335.404 2.468 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000069704064 463307243 /nfs/dbraw/zinc/30/72/43/463307243.db2.gz XBTPUBIGMYEBMH-QWHCGFSZSA-N 1 0 335.404 2.468 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000080593899 463333489 /nfs/dbraw/zinc/33/34/89/463333489.db2.gz OOXNDBATVYINBS-UHFFFAOYSA-N 1 0 346.431 2.402 10 5 EEBERO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802846 463466979 /nfs/dbraw/zinc/46/69/79/463466979.db2.gz UFIFMZREGBXNTD-INIZCTEOSA-N 1 0 327.388 2.486 10 5 EEBERO Cc1ccc([C@@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000164899577 463636775 /nfs/dbraw/zinc/63/67/75/463636775.db2.gz ZJGGUFKXEHBPHG-PBHICJAKSA-N 1 0 349.431 2.437 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000187899601 464172615 /nfs/dbraw/zinc/17/26/15/464172615.db2.gz PPEOVSUYOSXJHE-CXAGYDPISA-N 1 0 338.404 2.465 10 5 EEBERO CC[N@@H+]1CC[C@@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272503926 464635639 /nfs/dbraw/zinc/63/56/39/464635639.db2.gz HQVFPPMQRQYUMQ-WMLDXEAASA-N 1 0 343.431 2.349 10 5 EEBERO CN(CC[NH+]1CCCCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593884225 468420229 /nfs/dbraw/zinc/42/02/29/468420229.db2.gz VDURVPFEYYWFMI-UHFFFAOYSA-N 1 0 341.358 2.360 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000176883064 464874491 /nfs/dbraw/zinc/87/44/91/464874491.db2.gz QRULXDGSFQUWOE-MRXNPFEDSA-N 1 0 328.372 2.331 10 5 EEBERO CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C[C@@H](C)O ZINC000177054248 464917778 /nfs/dbraw/zinc/91/77/78/464917778.db2.gz LTSMQOBXPWUQNC-OLZOCXBDSA-N 1 0 348.403 2.013 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593913863 468431531 /nfs/dbraw/zinc/43/15/31/468431531.db2.gz XOLHZOFKFGDYOO-VBQJREDUSA-N 1 0 347.415 2.262 10 5 EEBERO CCn1nc2c(cc1=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000371324991 465714352 /nfs/dbraw/zinc/71/43/52/465714352.db2.gz BINFPHJJFQFBLA-FNORWQNLSA-N 1 0 340.383 2.243 10 5 EEBERO COC(=O)c1cc(N2CC[C@H]([NH+]3CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000301555045 465983244 /nfs/dbraw/zinc/98/32/44/465983244.db2.gz IIHBLNVUNHIONJ-ZDUSSCGKSA-N 1 0 333.388 2.364 10 5 EEBERO CC[NH+](CC)C[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362761682 466005901 /nfs/dbraw/zinc/00/59/01/466005901.db2.gz AYQAALPBVXJCJJ-SNVBAGLBSA-N 1 0 329.347 2.262 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nn21 ZINC000301947217 466065861 /nfs/dbraw/zinc/06/58/61/466065861.db2.gz HOARCSRNTKKOQW-TZMCWYRMSA-N 1 0 342.403 2.091 10 5 EEBERO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(c2cnccn2)CC1 ZINC000372274898 466266463 /nfs/dbraw/zinc/26/64/63/466266463.db2.gz SSUFTRJGBWUGPU-UHFFFAOYSA-N 1 0 327.388 2.486 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC[C@@H]1C ZINC000367660601 466476406 /nfs/dbraw/zinc/47/64/06/466476406.db2.gz IXHJCLMWXAQCPY-LBPRGKRZSA-N 1 0 337.376 2.043 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372762408 466578394 /nfs/dbraw/zinc/57/83/94/466578394.db2.gz PHWXKYAGYAWDSV-WBMJQRKESA-N 1 0 330.388 2.079 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417736274 466920868 /nfs/dbraw/zinc/92/08/68/466920868.db2.gz WQQYPOPMFCVEJS-QGZVFWFLSA-N 1 0 346.431 2.453 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417994063 467014892 /nfs/dbraw/zinc/01/48/92/467014892.db2.gz QQRYSDCLOUAKHW-ZWNOBZJWSA-N 1 0 340.811 2.088 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418558482 467128729 /nfs/dbraw/zinc/12/87/29/467128729.db2.gz QBAPTLFQSGVDRW-MLGOLLRUSA-N 1 0 332.404 2.267 10 5 EEBERO CN(C(=O)CNC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000452092834 467319793 /nfs/dbraw/zinc/31/97/93/467319793.db2.gz FFSOAQICTNWEDD-UHFFFAOYSA-N 1 0 334.420 2.022 10 5 EEBERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000408239475 467534368 /nfs/dbraw/zinc/53/43/68/467534368.db2.gz ZCZSRCOOBCRFRT-OLZOCXBDSA-N 1 0 341.433 2.006 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000514604684 467943309 /nfs/dbraw/zinc/94/33/09/467943309.db2.gz HIRPRPVRJGHPOI-KRWDZBQOSA-N 1 0 340.383 2.091 10 5 EEBERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000487547217 468043905 /nfs/dbraw/zinc/04/39/05/468043905.db2.gz FQOFMGPGYTTZMY-BXUZGUMPSA-N 1 0 326.418 2.393 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000594258699 468532298 /nfs/dbraw/zinc/53/22/98/468532298.db2.gz WDTBJRHQWZAIGI-BETUJISGSA-N 1 0 334.420 2.469 10 5 EEBERO CN(CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000600473945 468568755 /nfs/dbraw/zinc/56/87/55/468568755.db2.gz VECBRXZMHJNYIT-HNNXBMFYSA-N 1 0 346.431 2.164 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592375561 468684990 /nfs/dbraw/zinc/68/49/90/468684990.db2.gz UFICITDWSYLGFQ-QGZVFWFLSA-N 1 0 338.404 2.261 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597856873 468695201 /nfs/dbraw/zinc/69/52/01/468695201.db2.gz BXXNRCCSGBDPGP-CYBMUJFWSA-N 1 0 335.404 2.353 10 5 EEBERO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCOC1 ZINC000594950153 468728782 /nfs/dbraw/zinc/72/87/82/468728782.db2.gz JKPAQXJYHFYYMB-IINYFYTJSA-N 1 0 346.330 2.337 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCO[C@H]2CC2(F)F)n1 ZINC000595066773 468752220 /nfs/dbraw/zinc/75/22/20/468752220.db2.gz BMUUKISTFIKBON-UTUOFQBUSA-N 1 0 330.335 2.289 10 5 EEBERO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164220 468766961 /nfs/dbraw/zinc/76/69/61/468766961.db2.gz XEOKTLNYBOSROJ-UWVGGRQHSA-N 1 0 347.341 2.410 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000595381036 468832220 /nfs/dbraw/zinc/83/22/20/468832220.db2.gz HKVPKYAKBMKELH-UHFFFAOYSA-N 1 0 343.449 2.302 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473049 468865841 /nfs/dbraw/zinc/86/58/41/468865841.db2.gz SWFJVYZLTSZAEY-INIZCTEOSA-N 1 0 349.431 2.290 10 5 EEBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+]C1(CCO)CCCC1 ZINC000595508994 468881835 /nfs/dbraw/zinc/88/18/35/468881835.db2.gz NCOGCNKZJZSWQV-UHFFFAOYSA-N 1 0 349.387 2.178 10 5 EEBERO Cc1noc(CN2CCN(CC(F)(F)F)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595516700 468884611 /nfs/dbraw/zinc/88/46/11/468884611.db2.gz AJMVVFOZJQDJLH-SECBINFHSA-N 1 0 336.314 2.207 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595746200 468984021 /nfs/dbraw/zinc/98/40/21/468984021.db2.gz UYSWEHKVZXJVBJ-STQMWFEESA-N 1 0 335.404 2.181 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000601791632 469028241 /nfs/dbraw/zinc/02/82/41/469028241.db2.gz NEBSDGBNGRAFAB-UHFFFAOYSA-N 1 0 335.404 2.306 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)o1 ZINC000598990688 469079132 /nfs/dbraw/zinc/07/91/32/469079132.db2.gz QOCUNUCZEJITGV-NVXWUHKLSA-N 1 0 332.356 2.484 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595933569 469090444 /nfs/dbraw/zinc/09/04/44/469090444.db2.gz HMGBMVBWMYUSFP-OAHLLOKOSA-N 1 0 347.415 2.212 10 5 EEBERO [NH3+]CC12CC(C1)CN2C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595942866 469094138 /nfs/dbraw/zinc/09/41/38/469094138.db2.gz LCVMOLUMLVRDDN-UHFFFAOYSA-N 1 0 344.396 2.282 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987905 469209087 /nfs/dbraw/zinc/20/90/87/469209087.db2.gz VOLUBIDLRHCXLT-WDEREUQCSA-N 1 0 334.294 2.076 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573975668 469239331 /nfs/dbraw/zinc/23/93/31/469239331.db2.gz LZXWYFNRRWDFLU-UHFFFAOYSA-N 1 0 347.419 2.212 10 5 EEBERO CN(c1ccccc1)c1ccc(C[NH2+]C[C@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464359 469615984 /nfs/dbraw/zinc/61/59/84/469615984.db2.gz ZKQKKFDAMZGFPQ-SFHVURJKSA-N 1 0 345.399 2.196 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871954 469692951 /nfs/dbraw/zinc/69/29/51/469692951.db2.gz OIHWGAIISCMITQ-OAHLLOKOSA-N 1 0 347.415 2.230 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000618318374 469960306 /nfs/dbraw/zinc/96/03/06/469960306.db2.gz VLZLNRCPOTYXEQ-UHFFFAOYSA-N 1 0 333.388 2.487 10 5 EEBERO COc1ccc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000610032167 469975634 /nfs/dbraw/zinc/97/56/34/469975634.db2.gz FFQQNOZJSISZNW-UHFFFAOYSA-N 1 0 348.340 2.052 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@](O)(C3CC3)C1)OCCO2 ZINC000597205608 485615373 /nfs/dbraw/zinc/61/53/73/485615373.db2.gz NIJJLFJCKNZLFH-KRWDZBQOSA-N 1 0 334.372 2.103 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000175055727 529304825 /nfs/dbraw/zinc/30/48/25/529304825.db2.gz XKBPXFAHIQCNRF-GOEBONIOSA-N 1 0 346.431 2.400 10 5 EEBERO Cc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000730841338 577061904 /nfs/dbraw/zinc/06/19/04/577061904.db2.gz IHKFYFXFOFNXOL-CHWSQXEVSA-N 1 0 334.420 2.478 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000769896906 577586694 /nfs/dbraw/zinc/58/66/94/577586694.db2.gz HKWZCPTYUZVXCF-IACUBPJLSA-N 1 0 348.321 2.263 10 5 EEBERO C[NH+](C)C1(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000752873455 577777358 /nfs/dbraw/zinc/77/73/58/577777358.db2.gz LXTXYRZRXZCSSI-UHFFFAOYSA-N 1 0 330.388 2.219 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928430669 683027606 /nfs/dbraw/zinc/02/76/06/683027606.db2.gz YYHCUERCHBYIAO-WCBMZHEXSA-N 1 0 342.193 2.180 10 5 EEBERO C[C@H]1[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928443070 683171329 /nfs/dbraw/zinc/17/13/29/683171329.db2.gz SLWMJPVDBXTHMO-UFBFGSQYSA-N 1 0 329.759 2.139 10 5 EEBERO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899986671 693954857 /nfs/dbraw/zinc/95/48/57/693954857.db2.gz OLBTWFHLUWITSM-GOEBONIOSA-N 1 0 332.404 2.140 10 5 EEBERO CC[N@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691033582 1176865460 /nfs/dbraw/zinc/86/54/60/1176865460.db2.gz VEMSPPSFEXXUSQ-UHFFFAOYSA-N 1 0 334.351 2.314 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1 ZINC001266745768 1177338019 /nfs/dbraw/zinc/33/80/19/1177338019.db2.gz JCXCIXWGUQRVHF-UHFFFAOYSA-N 1 0 327.384 2.386 10 5 EEBERO CCc1oncc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001266850412 1177550886 /nfs/dbraw/zinc/55/08/86/1177550886.db2.gz FHAZEAYBOATHNH-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO Cc1cc(CCC(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001480910859 1178071904 /nfs/dbraw/zinc/07/19/04/1178071904.db2.gz MTYAJOIHKNLIOC-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO CCC[N@H+](CCNC(=O)c1[nH]cnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001267320588 1178751158 /nfs/dbraw/zinc/75/11/58/1178751158.db2.gz PCGOCAGKCUNWLZ-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ocnc1C ZINC001273311674 1198024753 /nfs/dbraw/zinc/02/47/53/1198024753.db2.gz JFCMORICSIIUHW-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026134 1198029121 /nfs/dbraw/zinc/02/91/21/1198029121.db2.gz BLTXVWLMSLNMRE-GFCCVEGCSA-N 1 0 325.384 2.231 10 5 EEBERO [NH3+]C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000872152130 1198059173 /nfs/dbraw/zinc/05/91/73/1198059173.db2.gz ZHXVAPJEPYEDRS-GXFFZTMASA-N 1 0 333.310 2.043 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CCSC1 ZINC000872217141 1198092387 /nfs/dbraw/zinc/09/23/87/1198092387.db2.gz NZSYRRNMGUFSMO-CHWSQXEVSA-N 1 0 326.418 2.067 10 5 EEBERO CC(C)OC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000872244429 1198108251 /nfs/dbraw/zinc/10/82/51/1198108251.db2.gz KQJSPSGIZCCIEF-AWEZNQCLSA-N 1 0 338.404 2.272 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825760594 1199117862 /nfs/dbraw/zinc/11/78/62/1199117862.db2.gz KBSSVWPBMCGCCI-DVOMOZLQSA-N 1 0 335.404 2.007 10 5 EEBERO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000870733580 1200841331 /nfs/dbraw/zinc/84/13/31/1200841331.db2.gz PODZNOVXMXFABL-CQSZACIVSA-N 1 0 336.392 2.132 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000866050298 1201414812 /nfs/dbraw/zinc/41/48/12/1201414812.db2.gz YNGIRLUNRQWXJW-IUODEOHRSA-N 1 0 337.395 2.465 10 5 EEBERO C[NH+]1CCC2(CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000866052679 1201415340 /nfs/dbraw/zinc/41/53/40/1201415340.db2.gz MZXQCZIPYGYZTF-UHFFFAOYSA-N 1 0 332.404 2.006 10 5 EEBERO C[NH+]1CCC(n2cc(Nc3nc4ccccn4c3[N+](=O)[O-])cn2)CC1 ZINC000866057648 1201417687 /nfs/dbraw/zinc/41/76/87/1201417687.db2.gz LMPDYTUIOMCJKG-UHFFFAOYSA-N 1 0 341.375 2.449 10 5 EEBERO COC(=O)c1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000866204810 1201464055 /nfs/dbraw/zinc/46/40/55/1201464055.db2.gz GHKHUFCKSIUHPX-DOMZBBRYSA-N 1 0 333.388 2.220 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205565 1201464859 /nfs/dbraw/zinc/46/48/59/1201464859.db2.gz FSJMQQVMWDOMNY-GJZGRUSLSA-N 1 0 346.431 2.263 10 5 EEBERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255949 1201476775 /nfs/dbraw/zinc/47/67/75/1201476775.db2.gz HFLMQOPKUFUZBE-XJKSGUPXSA-N 1 0 339.411 2.365 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC001137189604 1202064821 /nfs/dbraw/zinc/06/48/21/1202064821.db2.gz YIVFVTBGOBFZOM-UHFFFAOYSA-N 1 0 332.404 2.435 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887939275 1204513529 /nfs/dbraw/zinc/51/35/29/1204513529.db2.gz XSHXYZWBVGDXBQ-ACJLOTCBSA-N 1 0 344.415 2.193 10 5 EEBERO Cc1[nH]nc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001275922490 1205589206 /nfs/dbraw/zinc/58/92/06/1205589206.db2.gz VNIQJTIRHCJKKB-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCCCO)CC2)cc1F ZINC000931497140 1207397202 /nfs/dbraw/zinc/39/72/02/1207397202.db2.gz NXOSFAFQXDHFGT-UHFFFAOYSA-N 1 0 325.384 2.014 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900295215 1234171230 /nfs/dbraw/zinc/17/12/30/1234171230.db2.gz ZNABUFGFDJHROO-UKRRQHHQSA-N 1 0 333.388 2.237 10 5 EEBERO Cc1c(NC(=O)CCN[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468260 1240563781 /nfs/dbraw/zinc/56/37/81/1240563781.db2.gz JGLOZGOQTPNTQE-HNNXBMFYSA-N 1 0 332.404 2.106 10 5 EEBERO [NH3+][C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903534272 1240830987 /nfs/dbraw/zinc/83/09/87/1240830987.db2.gz DOHOGMFZVCNQKE-GHMZBOCLSA-N 1 0 333.310 2.185 10 5 EEBERO CCC(=O)c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000853964784 1292559712 /nfs/dbraw/zinc/55/97/12/1292559712.db2.gz AOGIBURGAMETHI-HNNXBMFYSA-N 1 0 347.415 2.223 10 5 EEBERO COCc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000853990110 1292573059 /nfs/dbraw/zinc/57/30/59/1292573059.db2.gz IWOYUFKKWZWQDO-INIZCTEOSA-N 1 0 337.420 2.288 10 5 EEBERO C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000860786438 1295109998 /nfs/dbraw/zinc/10/99/98/1295109998.db2.gz CNUPFSKHCALFTQ-XOKHGSTOSA-N 1 0 332.400 2.353 10 5 EEBERO CC(C)OCC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001278031809 1305742966 /nfs/dbraw/zinc/74/29/66/1305742966.db2.gz ZZXLUTMNZKFYTB-UHFFFAOYSA-N 1 0 349.431 2.491 10 5 EEBERO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000843089856 1315839324 /nfs/dbraw/zinc/83/93/24/1315839324.db2.gz UAXVFJVCNCAJRY-YMRXKLBXSA-N 1 0 334.347 2.479 10 5 EEBERO CN(CC(C)(C)C[NH+](C)C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001158545470 1319295456 /nfs/dbraw/zinc/29/54/56/1319295456.db2.gz KGSPXOVIWJSLDB-UHFFFAOYSA-N 1 0 336.436 2.443 10 5 EEBERO COc1cccc(C[C@H]2CN(c3ncc([N+](=O)[O-])s3)CC[NH2+]2)c1 ZINC001164413060 1321374420 /nfs/dbraw/zinc/37/44/20/1321374420.db2.gz XVESYUYIMRQOBC-LBPRGKRZSA-N 1 0 334.401 2.081 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001263995680 1322580476 /nfs/dbraw/zinc/58/04/76/1322580476.db2.gz JMXYKGNLEJFVGT-JQFCIGGWSA-N 1 0 346.431 2.243 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001323517706 1333480836 /nfs/dbraw/zinc/48/08/36/1333480836.db2.gz BKRACPAYTMXTGN-FICVDOATSA-N 1 0 329.400 2.379 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000848025028 1338456642 /nfs/dbraw/zinc/45/66/42/1338456642.db2.gz MKEVPKRCEIJZRK-HECSCLNYSA-N 1 0 349.431 2.207 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC001559287805 1342500095 /nfs/dbraw/zinc/50/00/95/1342500095.db2.gz DZILXUZSFFGOHT-ZDUSSCGKSA-N 1 0 336.348 2.168 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)c1cnon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567650589 1342802256 /nfs/dbraw/zinc/80/22/56/1342802256.db2.gz KQEFUFZXSLEAKE-UHFFFAOYSA-N 1 0 347.375 2.008 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001608182324 1351642520 /nfs/dbraw/zinc/64/25/20/1351642520.db2.gz JVLFOZXEYBCFIU-QMMMGPOBSA-N 1 0 344.774 2.136 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1F ZINC001630208588 1352565563 /nfs/dbraw/zinc/56/55/63/1352565563.db2.gz NHCZSICXQTTXCJ-UHFFFAOYSA-N 1 0 333.323 2.025 10 5 EEBERO CSc1cccc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001640013205 1352704474 /nfs/dbraw/zinc/70/44/74/1352704474.db2.gz CKMNEQOOBGHGBZ-LBPRGKRZSA-N 1 0 335.429 2.388 10 5 EEBERO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001641721289 1352724258 /nfs/dbraw/zinc/72/42/58/1352724258.db2.gz DIWUKARJFHGIIG-VIFPVBQESA-N 1 0 341.799 2.108 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001643274301 1352744933 /nfs/dbraw/zinc/74/49/33/1352744933.db2.gz BJMICBSGNJCUJX-LBPRGKRZSA-N 1 0 345.359 2.369 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccnn1C ZINC001644227623 1352760232 /nfs/dbraw/zinc/76/02/32/1352760232.db2.gz FUVUKPAAXKBYLB-LBPRGKRZSA-N 1 0 331.376 2.316 10 5 EEBERO CCOc1cc(C[N@@H+]2CCC[C@H](c3nnc(N)o3)C2)ccc1[N+](=O)[O-] ZINC001654376741 1354147669 /nfs/dbraw/zinc/14/76/69/1354147669.db2.gz HAJIUHZKBOJOHR-LBPRGKRZSA-N 1 0 347.375 2.338 10 5 EEBERO O=C(CC1CCOCC1)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001668752018 1355997743 /nfs/dbraw/zinc/99/77/43/1355997743.db2.gz UXFGRUZLLRMLLN-UPHRSURJSA-N 1 0 347.415 2.174 10 5 EEBERO CN(C)c1cc[nH+]c(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001686330472 1358380555 /nfs/dbraw/zinc/38/05/55/1358380555.db2.gz IZCOLTLMZQMYRP-UHFFFAOYSA-N 1 0 343.387 2.098 10 5 EEBERO CC[N@H+](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001136592110 787233830 /nfs/dbraw/zinc/23/38/30/787233830.db2.gz OBYBNIITLVRWBM-UHFFFAOYSA-N 1 0 344.774 2.184 10 5 EEBERO COc1ccc(OCCN2CC[C@]3(C2)CCCC[NH2+]3)c([N+](=O)[O-])c1 ZINC000923533439 789734993 /nfs/dbraw/zinc/73/49/93/789734993.db2.gz HYHOOMNFSBHBFT-KRWDZBQOSA-N 1 0 335.404 2.200 10 5 EEBERO Cc1ccccc1[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785863340 806614863 /nfs/dbraw/zinc/61/48/63/806614863.db2.gz VYQJNIUWMYAHMV-INIZCTEOSA-N 1 0 330.388 2.470 10 5 EEBERO C[NH+](C)C[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000823684429 798758276 /nfs/dbraw/zinc/75/82/76/798758276.db2.gz UIIQECGEOFHJCD-CYBMUJFWSA-N 1 0 333.310 2.116 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc4n3CCOC4)c2c1 ZINC000922133361 799059048 /nfs/dbraw/zinc/05/90/48/799059048.db2.gz HXRMWCJRAXBRED-UHFFFAOYSA-N 1 0 341.371 2.135 10 5 EEBERO Cc1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1Br ZINC000804363007 804956367 /nfs/dbraw/zinc/95/63/67/804956367.db2.gz BPJNWNYPHIXOEY-NXEZZACHSA-N 1 0 326.194 2.321 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001451099398 1095777512 /nfs/dbraw/zinc/77/75/12/1095777512.db2.gz DBQAXYRPYNOLDL-UHFFFAOYSA-N 1 0 325.328 2.214 10 5 EEBERO COc1ccc(C(=O)N(C)CCN(C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001496805457 1101502663 /nfs/dbraw/zinc/50/26/63/1101502663.db2.gz ARDPICOMKQDAQH-UHFFFAOYSA-N 1 0 347.371 2.400 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccccn1 ZINC001497345734 1102364073 /nfs/dbraw/zinc/36/40/73/1102364073.db2.gz SXLNLRYXFBZXLQ-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001527207735 1120716166 /nfs/dbraw/zinc/71/61/66/1120716166.db2.gz HRHPFSXHGOAIGO-UHFFFAOYSA-N 1 0 335.339 2.053 10 5 EEBERO CC[NH+](CC)[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)CC(C)C ZINC001542930441 1124117694 /nfs/dbraw/zinc/11/76/94/1124117694.db2.gz IPVRFQICVFTZGR-CYBMUJFWSA-N 1 0 337.424 2.058 10 5 EEBERO C[C@H](Cc1ccccc1F)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000188020461 236387624 /nfs/dbraw/zinc/38/76/24/236387624.db2.gz QFYWIDAQDKVTIT-OCBCSQNSSA-N 1 0 348.374 2.349 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451343710 283375855 /nfs/dbraw/zinc/37/58/55/283375855.db2.gz OVXLSFYVSAFFSI-BFYDXBDKSA-N 1 0 347.415 2.209 10 5 EEBERO NC(=O)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000194025221 283377553 /nfs/dbraw/zinc/37/75/53/283377553.db2.gz OJFUCENSORXHKB-UHFFFAOYSA-N 1 0 332.404 2.006 10 5 EEBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000451238153 243044414 /nfs/dbraw/zinc/04/44/14/243044414.db2.gz CRUAHGZLYFAULC-QMTHXVAHSA-N 1 0 337.376 2.088 10 5 EEBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451253859 243050338 /nfs/dbraw/zinc/05/03/38/243050338.db2.gz KEWDSWOUIKNAHN-CZUORRHYSA-N 1 0 335.404 2.325 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000048274231 132426842 /nfs/dbraw/zinc/42/68/42/132426842.db2.gz JFDVUMXFWLZUDL-AWEZNQCLSA-N 1 0 333.388 2.446 10 5 EEBERO CCc1nnc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190690368 152217586 /nfs/dbraw/zinc/21/75/86/152217586.db2.gz VAJYFNFDXHNDAL-OAHLLOKOSA-N 1 0 345.403 2.188 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246303695 160272642 /nfs/dbraw/zinc/27/26/42/160272642.db2.gz BYUXHQGAKGEADP-PBHICJAKSA-N 1 0 349.431 2.146 10 5 EEBERO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c1[N+](=O)[O-] ZINC000246417899 160278049 /nfs/dbraw/zinc/27/80/49/160278049.db2.gz HQQBZDMNDWSYML-STQMWFEESA-N 1 0 348.403 2.230 10 5 EEBERO C[C@H](N[C@@H](CO)c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352022427 162032859 /nfs/dbraw/zinc/03/28/59/162032859.db2.gz OSLSGNJMIZXLAG-HZMBPMFUSA-N 1 0 335.385 2.307 10 5 EEBERO Cc1c(CNC(=O)NCC[N@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000359272026 164100464 /nfs/dbraw/zinc/10/04/64/164100464.db2.gz MSYGJHJOBANIAT-UHFFFAOYSA-N 1 0 332.404 2.354 10 5 EEBERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280047036 269323724 /nfs/dbraw/zinc/32/37/24/269323724.db2.gz ZYVCYFKWSMYCFB-NXEZZACHSA-N 1 0 343.786 2.481 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000278598842 274380597 /nfs/dbraw/zinc/38/05/97/274380597.db2.gz DTXMSVJAQLQJKS-SECBINFHSA-N 1 0 331.294 2.468 10 5 EEBERO COc1ccc([N+](=O)[O-])c(Cc2noc(CC3CC[NH+](C)CC3)n2)c1 ZINC000289130128 275100603 /nfs/dbraw/zinc/10/06/03/275100603.db2.gz RCECDEMNABMYQS-UHFFFAOYSA-N 1 0 346.387 2.462 10 5 EEBERO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C(C)(C)C[NH+](C)C ZINC000301699371 294884606 /nfs/dbraw/zinc/88/46/06/294884606.db2.gz RPFVUBLRPOEQTC-JTQLQIEISA-N 1 0 336.392 2.314 10 5 EEBERO O=[N+]([O-])c1ccc(CO)cc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000302018091 294920782 /nfs/dbraw/zinc/92/07/82/294920782.db2.gz CZDDCPALGLMWSD-ROUUACIJSA-N 1 0 349.431 2.267 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415496086 313132233 /nfs/dbraw/zinc/13/22/33/313132233.db2.gz GBOBYBMYEZHNDU-INIZCTEOSA-N 1 0 334.376 2.211 10 5 EEBERO C[C@@H](C[NH3+])N(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415703217 313168845 /nfs/dbraw/zinc/16/88/45/313168845.db2.gz QICYWZHUHOGQIG-ZETCQYMHSA-N 1 0 331.170 2.168 10 5 EEBERO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1F ZINC000565877777 319222756 /nfs/dbraw/zinc/22/27/56/319222756.db2.gz HUCOMOBPFQALDN-UHFFFAOYSA-N 1 0 348.334 2.322 10 5 EEBERO C[C@H](CC[NH+](C)C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576545359 320181682 /nfs/dbraw/zinc/18/16/82/320181682.db2.gz JYOZLNKXJLWOPX-GFCCVEGCSA-N 1 0 347.419 2.258 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590631999 468292488 /nfs/dbraw/zinc/29/24/88/468292488.db2.gz OQKDEECAYVNVMY-SNVBAGLBSA-N 1 0 331.294 2.438 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154955222 462828009 /nfs/dbraw/zinc/82/80/09/462828009.db2.gz ACLRCYWZDPAQOW-CHWSQXEVSA-N 1 0 340.383 2.452 10 5 EEBERO COc1cc(C[NH2+][C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000077423137 462983103 /nfs/dbraw/zinc/98/31/03/462983103.db2.gz GPZYNPJHMYUCEW-IUCAKERBSA-N 1 0 334.319 2.311 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000054462392 463237758 /nfs/dbraw/zinc/23/77/58/463237758.db2.gz PLNURIQGEBBJRZ-HNNXBMFYSA-N 1 0 342.399 2.201 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069401537 463239497 /nfs/dbraw/zinc/23/94/97/463239497.db2.gz FBWIOCWAYLCKET-CYBMUJFWSA-N 1 0 338.408 2.003 10 5 EEBERO O=[N+]([O-])c1ccc(Nc2cnn(C[C@@H](O)C[NH+]3CCCC3)c2)c(F)c1 ZINC000069581169 463281313 /nfs/dbraw/zinc/28/13/13/463281313.db2.gz MZWNJKRGESWDES-AWEZNQCLSA-N 1 0 349.366 2.131 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000160573711 463351457 /nfs/dbraw/zinc/35/14/57/463351457.db2.gz AYFSMJHYRQUFHI-CQSZACIVSA-N 1 0 335.404 2.210 10 5 EEBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000105884383 463487267 /nfs/dbraw/zinc/48/72/67/463487267.db2.gz RRCUBVDKIREBMX-OAHLLOKOSA-N 1 0 345.403 2.367 10 5 EEBERO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000170687734 463696113 /nfs/dbraw/zinc/69/61/13/463696113.db2.gz OFKIUQGAZUJUEP-ZDUSSCGKSA-N 1 0 337.376 2.043 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177778224 463789398 /nfs/dbraw/zinc/78/93/98/463789398.db2.gz COHHGELBFOAEHM-OAHLLOKOSA-N 1 0 332.404 2.012 10 5 EEBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180108744 464244599 /nfs/dbraw/zinc/24/45/99/464244599.db2.gz PGBCSQMABWMOPX-RDJZCZTQSA-N 1 0 340.383 2.352 10 5 EEBERO C[NH2+]C1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237082718 464262145 /nfs/dbraw/zinc/26/21/45/464262145.db2.gz FEJDFFJSUMQJKK-JTQLQIEISA-N 1 0 341.795 2.226 10 5 EEBERO COc1cc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000271617093 464344215 /nfs/dbraw/zinc/34/42/15/464344215.db2.gz LDDQLPJUOQZABG-OCCSQVGLSA-N 1 0 329.397 2.224 10 5 EEBERO Cc1c(NC(=O)CC[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000249063241 464834854 /nfs/dbraw/zinc/83/48/54/464834854.db2.gz PZLXZCXXMOVOGW-DABQJJPHSA-N 1 0 335.404 2.466 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000286208382 464839785 /nfs/dbraw/zinc/83/97/85/464839785.db2.gz MQNSTFWDBQOFHE-TZMCWYRMSA-N 1 0 348.403 2.005 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721822 464983882 /nfs/dbraw/zinc/98/38/82/464983882.db2.gz MYUPTMFFZGEHMB-SJLPKXTDSA-N 1 0 333.432 2.409 10 5 EEBERO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348197612 465484732 /nfs/dbraw/zinc/48/47/32/465484732.db2.gz LLJKRSZCJIJGFI-HNNXBMFYSA-N 1 0 343.387 2.313 10 5 EEBERO C[C@H]1CCC[C@](CNc2ncc([N+](=O)[O-])cc2C(N)=O)([NH+](C)C)C1 ZINC000299059227 465580742 /nfs/dbraw/zinc/58/07/42/465580742.db2.gz NAKQINOISNFXKX-ZBEGNZNMSA-N 1 0 335.408 2.011 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000366430779 465723214 /nfs/dbraw/zinc/72/32/14/465723214.db2.gz BTIHPLNYOHQUPL-RRQGHBQHSA-N 1 0 347.415 2.227 10 5 EEBERO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000301475580 465970641 /nfs/dbraw/zinc/97/06/41/465970641.db2.gz NTKOWURPQFLAGM-UHFFFAOYSA-N 1 0 349.431 2.432 10 5 EEBERO COC(=O)c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)cc(C)c1[N+](=O)[O-] ZINC000301555044 465984235 /nfs/dbraw/zinc/98/42/35/465984235.db2.gz IIHBLNVUNHIONJ-CYBMUJFWSA-N 1 0 333.388 2.364 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301710989 466017292 /nfs/dbraw/zinc/01/72/92/466017292.db2.gz XUYYGBSJBVMWQG-QWRGUYRKSA-N 1 0 334.376 2.210 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000594102691 468485210 /nfs/dbraw/zinc/48/52/10/468485210.db2.gz PZRRCUGREGSVGF-JGZJWPJOSA-N 1 0 343.330 2.266 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206986 468495510 /nfs/dbraw/zinc/49/55/10/468495510.db2.gz JZURAAOEVAFIRX-SUXDSQMHSA-N 1 0 336.413 2.260 10 5 EEBERO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000347286183 466535150 /nfs/dbraw/zinc/53/51/50/466535150.db2.gz HKCZFKNCZISDEY-LBPRGKRZSA-N 1 0 343.387 2.021 10 5 EEBERO Cn1ccnc1[C@@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423358866 466726984 /nfs/dbraw/zinc/72/69/84/466726984.db2.gz OCAKTFNOZAQZDR-ZBFHGGJFSA-N 1 0 329.404 2.149 10 5 EEBERO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373804568 466924721 /nfs/dbraw/zinc/92/47/21/466924721.db2.gz JNFBNKGCDKVCCH-WBVHZDCISA-N 1 0 336.388 2.244 10 5 EEBERO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000378238009 467238076 /nfs/dbraw/zinc/23/80/76/467238076.db2.gz RTMRTYGIANKNCP-KBPBESRZSA-N 1 0 333.388 2.208 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378503416 467324745 /nfs/dbraw/zinc/32/47/45/467324745.db2.gz AQXUPUKXMUNNAE-CRAIPNDOSA-N 1 0 343.383 2.124 10 5 EEBERO CCn1ccnc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000453297018 467477911 /nfs/dbraw/zinc/47/79/11/467477911.db2.gz XHFLOZLZFREUFJ-LBPRGKRZSA-N 1 0 331.376 2.318 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000514737035 467951785 /nfs/dbraw/zinc/95/17/85/467951785.db2.gz PBIIQRFDJCRQDW-UHFFFAOYSA-N 1 0 341.795 2.089 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Cl)cn1 ZINC000591758618 468515950 /nfs/dbraw/zinc/51/59/50/468515950.db2.gz FJODTJKGJRJNQC-CYBMUJFWSA-N 1 0 337.763 2.173 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600469374 468565851 /nfs/dbraw/zinc/56/58/51/468565851.db2.gz AJAUJMVIMFLMPQ-HNNXBMFYSA-N 1 0 333.388 2.107 10 5 EEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594523390 468615082 /nfs/dbraw/zinc/61/50/82/468615082.db2.gz AYRLQWVFTXAZCN-LBPRGKRZSA-N 1 0 348.325 2.404 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)o1 ZINC000594610669 468634904 /nfs/dbraw/zinc/63/49/04/468634904.db2.gz AINAEKLISVIBFQ-UONOGXRCSA-N 1 0 343.383 2.106 10 5 EEBERO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592178387 468646654 /nfs/dbraw/zinc/64/66/54/468646654.db2.gz ZZUGERFLFAWXFM-KRWDZBQOSA-N 1 0 342.399 2.451 10 5 EEBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592184811 468649309 /nfs/dbraw/zinc/64/93/09/468649309.db2.gz RVJZDTOWDFBLDF-AWEZNQCLSA-N 1 0 345.321 2.404 10 5 EEBERO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(=O)[nH]n1 ZINC000558164253 468667332 /nfs/dbraw/zinc/66/73/32/468667332.db2.gz AHPNCSGEUCQHSU-JTQLQIEISA-N 1 0 327.344 2.465 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583740380 468748684 /nfs/dbraw/zinc/74/86/84/468748684.db2.gz WTDWQINCOPHKNT-MRXNPFEDSA-N 1 0 334.376 2.211 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595089756 468757546 /nfs/dbraw/zinc/75/75/46/468757546.db2.gz KROSFNYSSWZIQB-DFBGVHRSSA-N 1 0 333.388 2.205 10 5 EEBERO CO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCC1 ZINC000595286600 468800237 /nfs/dbraw/zinc/80/02/37/468800237.db2.gz IMSZKBDEFNUFOL-INIZCTEOSA-N 1 0 334.420 2.317 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595502775 468879620 /nfs/dbraw/zinc/87/96/20/468879620.db2.gz VXEWSBFCUJSJRK-AWEZNQCLSA-N 1 0 328.372 2.031 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595752728 468988328 /nfs/dbraw/zinc/98/83/28/468988328.db2.gz VRPQBIVSROXHAN-FZKQIMNGSA-N 1 0 347.415 2.467 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595752730 468988457 /nfs/dbraw/zinc/98/84/57/468988457.db2.gz VRPQBIVSROXHAN-SCLBCKFNSA-N 1 0 347.415 2.467 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595781118 469006510 /nfs/dbraw/zinc/00/65/10/469006510.db2.gz KHEPOYNERRSZAF-NILFDRSVSA-N 1 0 333.388 2.123 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595834975 469033868 /nfs/dbraw/zinc/03/38/68/469033868.db2.gz UBCHMLYQNDYVPY-KBPBESRZSA-N 1 0 333.388 2.200 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@H]3CCCO3)o2)cc1 ZINC000598989778 469079234 /nfs/dbraw/zinc/07/92/34/469079234.db2.gz AAQNHMHNDNDHFT-DOTOQJQBSA-N 1 0 332.356 2.484 10 5 EEBERO COc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595935018 469090777 /nfs/dbraw/zinc/09/07/77/469090777.db2.gz QKQOUDJXUNPMIG-HNNXBMFYSA-N 1 0 347.415 2.455 10 5 EEBERO COc1ccc(C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593694651 469097754 /nfs/dbraw/zinc/09/77/54/469097754.db2.gz PGSZDYBDAHTWCS-CQSZACIVSA-N 1 0 343.383 2.469 10 5 EEBERO O=[N+]([O-])c1c(NC[C@H]2CCCS(=O)(=O)C2)ccc2cnccc21 ZINC000599085118 469112078 /nfs/dbraw/zinc/11/20/78/469112078.db2.gz MSVNNHWYSCLEES-LLVKDONJSA-N 1 0 335.385 2.380 10 5 EEBERO Nc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000599126408 469128373 /nfs/dbraw/zinc/12/83/73/469128373.db2.gz GHCSJSYTYSRJNR-HNNXBMFYSA-N 1 0 334.420 2.488 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(CO)ccc3F)C2)nc1 ZINC000599326313 469213062 /nfs/dbraw/zinc/21/30/62/469213062.db2.gz WFOYRNSIRBWEOU-CQSZACIVSA-N 1 0 346.362 2.308 10 5 EEBERO CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000611335590 469230296 /nfs/dbraw/zinc/23/02/96/469230296.db2.gz TYQMLEWSZWMRNR-HNNXBMFYSA-N 1 0 341.433 2.061 10 5 EEBERO CCN(CC[NH3+])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599603591 469306086 /nfs/dbraw/zinc/30/60/86/469306086.db2.gz FYLURXXQKGRALR-UHFFFAOYSA-N 1 0 331.170 2.170 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000611763062 469318142 /nfs/dbraw/zinc/31/81/42/469318142.db2.gz NTRIRDNIWXSJQF-UHFFFAOYSA-N 1 0 333.388 2.446 10 5 EEBERO CC(C)[C@H]([NH3+])CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596651244 469322249 /nfs/dbraw/zinc/32/22/49/469322249.db2.gz CZEOMCXMECRMGK-CVEARBPZSA-N 1 0 331.420 2.381 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829532 469385804 /nfs/dbraw/zinc/38/58/04/469385804.db2.gz HJWWXGDFUUSFDZ-LLVKDONJSA-N 1 0 329.360 2.359 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000612121950 469399731 /nfs/dbraw/zinc/39/97/31/469399731.db2.gz YIBUAXZZNBIBBU-RYUDHWBXSA-N 1 0 346.330 2.038 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000610178275 469985678 /nfs/dbraw/zinc/98/56/78/469985678.db2.gz RSRZCSMCIGVPFN-WCQYABFASA-N 1 0 349.387 2.126 10 5 EEBERO COCCOc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731679108 577115998 /nfs/dbraw/zinc/11/59/98/577115998.db2.gz WFQVSHPOSQKLPU-GOSISDBHSA-N 1 0 346.383 2.443 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccns3)CC2)cn1 ZINC000895529644 684632818 /nfs/dbraw/zinc/63/28/18/684632818.db2.gz UTFYHJUQOCPDNU-UHFFFAOYSA-N 1 0 333.417 2.247 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)n1 ZINC000909598442 686949055 /nfs/dbraw/zinc/94/90/55/686949055.db2.gz GVPFSKPMDLOCDA-UHFFFAOYSA-N 1 0 331.376 2.434 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccco1 ZINC001266629619 1177025073 /nfs/dbraw/zinc/02/50/73/1177025073.db2.gz LRIXBSKRXOVDNU-CMDGGOBGSA-N 1 0 329.356 2.449 10 5 EEBERO Cc1cnc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001480893265 1177628174 /nfs/dbraw/zinc/62/81/74/1177628174.db2.gz RZXFJGGJCXVFQT-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001267378717 1178924928 /nfs/dbraw/zinc/92/49/28/1178924928.db2.gz FQMZHDMPLHFOFX-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C)n1C ZINC001268434382 1182608266 /nfs/dbraw/zinc/60/82/66/1182608266.db2.gz CJPSOGSXIQVSNY-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO CCn1cccc1C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001268625358 1183548838 /nfs/dbraw/zinc/54/88/38/1183548838.db2.gz NVUAOVQODWWICI-ARJAWSKDSA-N 1 0 342.399 2.492 10 5 EEBERO CCc1ocnc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268785117 1183702364 /nfs/dbraw/zinc/70/23/64/1183702364.db2.gz RGYARAPUNIMYLC-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CCc1nc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001268788696 1183703296 /nfs/dbraw/zinc/70/32/96/1183703296.db2.gz POWKLYFLZWPZBD-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CN(CC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000871358611 1197699404 /nfs/dbraw/zinc/69/94/04/1197699404.db2.gz AEWZMNBIIQXKKZ-UHFFFAOYSA-N 1 0 348.447 2.410 10 5 EEBERO CC(C)OC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000872244430 1198108461 /nfs/dbraw/zinc/10/84/61/1198108461.db2.gz KQJSPSGIZCCIEF-CQSZACIVSA-N 1 0 338.404 2.272 10 5 EEBERO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000872312534 1198141070 /nfs/dbraw/zinc/14/10/70/1198141070.db2.gz AMONWKHHTSIWCU-HIFRSBDPSA-N 1 0 339.779 2.488 10 5 EEBERO Cc1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000865264416 1198147241 /nfs/dbraw/zinc/14/72/41/1198147241.db2.gz XHOFFVHYABMPCY-UHFFFAOYSA-N 1 0 338.477 2.455 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC001134125820 1199333186 /nfs/dbraw/zinc/33/31/86/1199333186.db2.gz ZEGCNBDTQUIXFP-INIZCTEOSA-N 1 0 343.387 2.116 10 5 EEBERO CC1(C)CC[NH2+]CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000866804384 1201609730 /nfs/dbraw/zinc/60/97/30/1201609730.db2.gz HMAGLHGOYRJPNW-UHFFFAOYSA-N 1 0 347.824 2.011 10 5 EEBERO Cc1ccc(CC[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001274333535 1205001047 /nfs/dbraw/zinc/00/10/47/1205001047.db2.gz VICSOHOLDXMWQK-IAGOWNOFSA-N 1 0 345.443 2.173 10 5 EEBERO C[NH+](C)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000928841529 1206426686 /nfs/dbraw/zinc/42/66/86/1206426686.db2.gz VZWZFCOWSNVXMN-MRXNPFEDSA-N 1 0 328.372 2.413 10 5 EEBERO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929429443 1206473812 /nfs/dbraw/zinc/47/38/12/1206473812.db2.gz JPCPGBTVAZZLFA-UONOGXRCSA-N 1 0 327.425 2.375 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000931261599 1206619949 /nfs/dbraw/zinc/61/99/49/1206619949.db2.gz CJPWAIYIALNLBH-FZMZJTMJSA-N 1 0 334.376 2.161 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000719385285 1213144726 /nfs/dbraw/zinc/14/47/26/1213144726.db2.gz NMDGFDYILCRFNZ-WPRPVWTQSA-N 1 0 342.193 2.180 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801884600 1236350818 /nfs/dbraw/zinc/35/08/18/1236350818.db2.gz UHXAYGPJTSAINE-PHIMTYICSA-N 1 0 338.383 2.309 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000903468017 1240563101 /nfs/dbraw/zinc/56/31/01/1240563101.db2.gz GMNCLAGCBHPRTN-HNNXBMFYSA-N 1 0 332.404 2.106 10 5 EEBERO [NH3+][C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C(F)(F)F ZINC000903538276 1240847228 /nfs/dbraw/zinc/84/72/28/1240847228.db2.gz AWSNGWWPDIYZOS-VHSXEESVSA-N 1 0 344.293 2.448 10 5 EEBERO CCOC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001198280912 1285064537 /nfs/dbraw/zinc/06/45/37/1285064537.db2.gz YHQCZLPAPDOVGS-CYBMUJFWSA-N 1 0 349.387 2.117 10 5 EEBERO O=[N+]([O-])c1cn(CN2CCC[C@@]3(CCOC3)C2)nc1-c1ccccn1 ZINC000853517095 1292405865 /nfs/dbraw/zinc/40/58/65/1292405865.db2.gz QOWJUWXLNQBGNT-QGZVFWFLSA-N 1 0 343.387 2.313 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000853795097 1292457113 /nfs/dbraw/zinc/45/71/13/1292457113.db2.gz KNBFJNKQAYBBLR-MRXNPFEDSA-N 1 0 342.399 2.477 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000855166916 1293098663 /nfs/dbraw/zinc/09/86/63/1293098663.db2.gz SMERBBWGMPBYHJ-CYBMUJFWSA-N 1 0 334.420 2.263 10 5 EEBERO Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858040540 1293992761 /nfs/dbraw/zinc/99/27/61/1293992761.db2.gz FDPLQUOFDUHHHA-DLBZAZTESA-N 1 0 343.383 2.485 10 5 EEBERO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000858471461 1294126465 /nfs/dbraw/zinc/12/64/65/1294126465.db2.gz CQNJIFXBQGPRHQ-MJBXVCDLSA-N 1 0 334.376 2.126 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)n1 ZINC001125093030 1310984506 /nfs/dbraw/zinc/98/45/06/1310984506.db2.gz CTLALPOCXWDLJD-UHFFFAOYSA-N 1 0 344.371 2.491 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001156748872 1318195398 /nfs/dbraw/zinc/19/53/98/1318195398.db2.gz IQOQYBNAJLMBJT-MRVPVSSYSA-N 1 0 346.790 2.430 10 5 EEBERO C[C@H](NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001263763009 1322511461 /nfs/dbraw/zinc/51/14/61/1322511461.db2.gz UZRDAYZOJHHPEH-DLKVLKDVSA-N 1 0 332.404 2.295 10 5 EEBERO CCC(=CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1)CC ZINC001264388886 1322687191 /nfs/dbraw/zinc/68/71/91/1322687191.db2.gz RNJWUTCVTMYGNF-OKILXGFUSA-N 1 0 349.435 2.059 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1cscn1 ZINC001280471508 1324242619 /nfs/dbraw/zinc/24/26/19/1324242619.db2.gz VBYVMDKWVDWHJZ-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO C[NH+](C)Cc1ccccc1NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001298489716 1330091055 /nfs/dbraw/zinc/09/10/55/1330091055.db2.gz IXPIZXSALWSJSK-INIZCTEOSA-N 1 0 329.356 2.329 10 5 EEBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001302177987 1331318760 /nfs/dbraw/zinc/31/87/60/1331318760.db2.gz LLKBGWIWLTUJNX-KRWDZBQOSA-N 1 0 339.395 2.180 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC001324817482 1333766397 /nfs/dbraw/zinc/76/63/97/1333766397.db2.gz UIGZKJQQTGLZJL-RISCZKNCSA-N 1 0 340.221 2.493 10 5 EEBERO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001325616169 1333924070 /nfs/dbraw/zinc/92/40/70/1333924070.db2.gz DTSQPJIMOBFDFA-XCXVSZKQSA-N 1 0 335.448 2.367 10 5 EEBERO CCc1ccccc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329292418 1334621792 /nfs/dbraw/zinc/62/17/92/1334621792.db2.gz MSQAPXCOHZKIHJ-IAGOWNOFSA-N 1 0 347.459 2.488 10 5 EEBERO COc1ccc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC001331675705 1335056455 /nfs/dbraw/zinc/05/64/55/1335056455.db2.gz JRYQHWJRLSZENV-UHFFFAOYSA-N 1 0 345.355 2.102 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)CC1 ZINC001335770852 1336425059 /nfs/dbraw/zinc/42/50/59/1336425059.db2.gz KISTWXWIOISTRC-UHFFFAOYSA-N 1 0 332.404 2.125 10 5 EEBERO O=C(N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001337670454 1336725071 /nfs/dbraw/zinc/72/50/71/1336725071.db2.gz WUYMEUDGDPQZDP-DISONHOPSA-N 1 0 343.427 2.069 10 5 EEBERO CCc1oncc1C(=O)N(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001668569839 1355964522 /nfs/dbraw/zinc/96/45/22/1355964522.db2.gz HPAJZJSZQZRXMY-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CN(CCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C ZINC001677515510 1357342961 /nfs/dbraw/zinc/34/29/61/1357342961.db2.gz SMLVRZDBWJFDOC-UHFFFAOYSA-N 1 0 337.420 2.206 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001623317614 1352394530 /nfs/dbraw/zinc/39/45/30/1352394530.db2.gz XFRHHDIUFDRFSM-DZGCQCFKSA-N 1 0 349.435 2.075 10 5 EEBERO CC(C)[NH+]1CCC(CCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001642704129 1352736105 /nfs/dbraw/zinc/73/61/05/1352736105.db2.gz VJXDOXJMZIDPAU-UHFFFAOYSA-N 1 0 343.815 2.212 10 5 EEBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001643230662 1352743758 /nfs/dbraw/zinc/74/37/58/1352743758.db2.gz ZWKPWPIJKFAPHU-LBPRGKRZSA-N 1 0 336.348 2.168 10 5 EEBERO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC001655685404 1354181433 /nfs/dbraw/zinc/18/14/33/1354181433.db2.gz VAHLISCGIPZDMW-ZDUSSCGKSA-N 1 0 342.346 2.284 10 5 EEBERO COCC(C)(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001661631381 1354666446 /nfs/dbraw/zinc/66/64/46/1354666446.db2.gz GAJIVAFPITYVML-GASCZTMLSA-N 1 0 349.431 2.394 10 5 EEBERO Cc1nc(C)c(C(=O)NCC=CC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001669045151 1356074541 /nfs/dbraw/zinc/07/45/41/1356074541.db2.gz DZQDZNCDQYMYAR-WAYWQWQTSA-N 1 0 343.387 2.011 10 5 EEBERO Cc1cc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc([N+](=O)[O-])c1 ZINC000920901054 770904174 /nfs/dbraw/zinc/90/41/74/770904174.db2.gz ZDGUHEBYEBUOKN-MRXNPFEDSA-N 1 0 336.388 2.417 10 5 EEBERO CCC[N@H+](CC)CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000925337252 775128867 /nfs/dbraw/zinc/12/88/67/775128867.db2.gz WCKFPEFIXCXCQO-KRWDZBQOSA-N 1 0 348.403 2.094 10 5 EEBERO CC(C)c1noc(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000818986247 785351797 /nfs/dbraw/zinc/35/17/97/785351797.db2.gz JOEJAAVOLYPLEI-AWEZNQCLSA-N 1 0 334.376 2.357 10 5 EEBERO Cc1noc(C)c1CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819143905 785421356 /nfs/dbraw/zinc/42/13/56/785421356.db2.gz QPEBMGSYNBGTRU-CQSZACIVSA-N 1 0 349.387 2.162 10 5 EEBERO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912870976 788434350 /nfs/dbraw/zinc/43/43/50/788434350.db2.gz HSOYZKVLMAPKMX-DLBZAZTESA-N 1 0 329.400 2.395 10 5 EEBERO COc1cc(C(=O)N2CCC([NH+]3CCC3)CC2)cc([N+](=O)[O-])c1C ZINC000912874975 788437474 /nfs/dbraw/zinc/43/74/74/788437474.db2.gz LJAGTCWEBPTTHB-UHFFFAOYSA-N 1 0 333.388 2.222 10 5 EEBERO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001143776660 788850285 /nfs/dbraw/zinc/85/02/85/788850285.db2.gz UYJOFWVRCVNGEE-UHFFFAOYSA-N 1 0 325.796 2.345 10 5 EEBERO C[C@](CO)([NH2+]CCC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001175324201 798075766 /nfs/dbraw/zinc/07/57/66/798075766.db2.gz UGDOFKUYHLKGHC-GOSISDBHSA-N 1 0 343.383 2.421 10 5 EEBERO Cc1ccc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000922851488 802077742 /nfs/dbraw/zinc/07/77/42/802077742.db2.gz XJDCSPKKQMZZLK-UHFFFAOYSA-N 1 0 347.415 2.276 10 5 EEBERO CC[NH+]1CCN(c2ccc(Nc3nn(C)cc3[N+](=O)[O-])cc2)CC1 ZINC001184580570 802081326 /nfs/dbraw/zinc/08/13/26/802081326.db2.gz SBMSYKFVFLKWPJ-UHFFFAOYSA-N 1 0 330.392 2.214 10 5 EEBERO C[NH+](C)C1(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CCCCCC1 ZINC001440612968 1093878487 /nfs/dbraw/zinc/87/84/87/1093878487.db2.gz JVYALZPFNVVUFX-UHFFFAOYSA-N 1 0 343.815 2.356 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001441513973 1095207813 /nfs/dbraw/zinc/20/78/13/1095207813.db2.gz RZPAQSSZBJXKFE-CHWSQXEVSA-N 1 0 334.420 2.396 10 5 EEBERO COC(=O)c1cc(C)nc(NCc2ccc3c[nH+]cn3c2)c1[N+](=O)[O-] ZINC001472802017 1110563444 /nfs/dbraw/zinc/56/34/44/1110563444.db2.gz KNPYUNWKCRIBFO-UHFFFAOYSA-N 1 0 341.327 2.345 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000174980796 529405187 /nfs/dbraw/zinc/40/51/87/529405187.db2.gz ISBLTMBQNZZLBJ-ZIAGYGMSSA-N 1 0 332.404 2.092 10 5 EEBERO CCCC(=O)N[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000101563625 219138367 /nfs/dbraw/zinc/13/83/67/219138367.db2.gz LVDYENVEWWZWCG-CQSZACIVSA-N 1 0 335.404 2.354 10 5 EEBERO CCCC(=O)N[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000101563068 219138440 /nfs/dbraw/zinc/13/84/40/219138440.db2.gz QHFWRUBPQUUPOM-AWEZNQCLSA-N 1 0 335.404 2.354 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000040498956 213324938 /nfs/dbraw/zinc/32/49/38/213324938.db2.gz NMPJBXBINWOOJE-AWEZNQCLSA-N 1 0 334.401 2.392 10 5 EEBERO C[C@]1(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000079515449 217236720 /nfs/dbraw/zinc/23/67/20/217236720.db2.gz KDZGSPWKDJMULZ-GFCCVEGCSA-N 1 0 328.166 2.438 10 5 EEBERO COc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000174739383 532951774 /nfs/dbraw/zinc/95/17/74/532951774.db2.gz MNCCSHGUBLUPDC-ZDUSSCGKSA-N 1 0 337.420 2.132 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352265759 153030011 /nfs/dbraw/zinc/03/00/11/153030011.db2.gz MZFHCJGNHYARSZ-ZDUSSCGKSA-N 1 0 343.449 2.225 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094120870 159242737 /nfs/dbraw/zinc/24/27/37/159242737.db2.gz WXRGVUQOAAWKNK-HNNXBMFYSA-N 1 0 349.431 2.361 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@H](C)O)C(C)C ZINC000107042437 159326511 /nfs/dbraw/zinc/32/65/11/159326511.db2.gz ITSNXERIPVKDCZ-LBPRGKRZSA-N 1 0 339.392 2.023 10 5 EEBERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000246223853 160268749 /nfs/dbraw/zinc/26/87/49/160268749.db2.gz DTZOUGQDDLRQOC-XJKSGUPXSA-N 1 0 346.387 2.274 10 5 EEBERO CN(C(=O)C[N@@H+]1CCCCC[C@H]1CCO)c1ccc([N+](=O)[O-])cc1 ZINC000342047912 161035025 /nfs/dbraw/zinc/03/50/25/161035025.db2.gz MLHYRYFHKPVBGX-HNNXBMFYSA-N 1 0 335.404 2.185 10 5 EEBERO O=[N+]([O-])c1cn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)nc1C1CC1 ZINC000352439524 162135976 /nfs/dbraw/zinc/13/59/76/162135976.db2.gz WSVWXYCAZHJMOP-MRXNPFEDSA-N 1 0 342.399 2.088 10 5 EEBERO O=C(CC[N@@H+]1CC[C@]2(C1)CCCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000375304104 167108426 /nfs/dbraw/zinc/10/84/26/167108426.db2.gz RDESDRNYBQNPNM-KRWDZBQOSA-N 1 0 333.388 2.426 10 5 EEBERO Cn1cc(C[NH2+]CC2(CCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186174069 268532507 /nfs/dbraw/zinc/53/25/07/268532507.db2.gz SOTDFSVQIIEGAD-UHFFFAOYSA-N 1 0 330.388 2.248 10 5 EEBERO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278843902 269245617 /nfs/dbraw/zinc/24/56/17/269245617.db2.gz LCVZUNYLEKMACM-UHFFFAOYSA-N 1 0 333.392 2.018 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279502552 269282316 /nfs/dbraw/zinc/28/23/16/269282316.db2.gz STMFJPZSPYHYBH-UHFFFAOYSA-N 1 0 338.383 2.168 10 5 EEBERO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCCO1 ZINC000130449109 274511946 /nfs/dbraw/zinc/51/19/46/274511946.db2.gz ZLMDSPPEVXYGBX-HZMBPMFUSA-N 1 0 325.340 2.220 10 5 EEBERO C[C@H](CN1CC[NH+](C)CC1)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000291777566 275339245 /nfs/dbraw/zinc/33/92/45/275339245.db2.gz CIEXPXBGIYLMBF-CYBMUJFWSA-N 1 0 329.404 2.191 10 5 EEBERO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000408039670 277154101 /nfs/dbraw/zinc/15/41/01/277154101.db2.gz XDJCSRFKVLCTNX-CABCVRRESA-N 1 0 325.796 2.153 10 5 EEBERO C[NH2+]CCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415648983 313160393 /nfs/dbraw/zinc/16/03/93/313160393.db2.gz CUDPFLJBIIOLFA-UHFFFAOYSA-N 1 0 345.197 2.349 10 5 EEBERO CCOc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425043087 314327665 /nfs/dbraw/zinc/32/76/65/314327665.db2.gz FJQJLEHUAGUQTH-DZGCQCFKSA-N 1 0 333.388 2.160 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000511852724 316390077 /nfs/dbraw/zinc/39/00/77/316390077.db2.gz GLYDQLPJCXYVEB-UHFFFAOYSA-N 1 0 346.431 2.431 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000538316132 318034648 /nfs/dbraw/zinc/03/46/48/318034648.db2.gz QCODDIXMHQMRGN-UHFFFAOYSA-N 1 0 348.447 2.221 10 5 EEBERO CC(C)COC[C@@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567707314 319408679 /nfs/dbraw/zinc/40/86/79/319408679.db2.gz QFNMAJNPTDGUHJ-HNNXBMFYSA-N 1 0 335.404 2.242 10 5 EEBERO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000574935456 320072391 /nfs/dbraw/zinc/07/23/91/320072391.db2.gz GYHWEEJJPIQWLA-XOKHGSTOSA-N 1 0 347.415 2.020 10 5 EEBERO C[N@@H+]1CC[C@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000351169078 465086948 /nfs/dbraw/zinc/08/69/48/465086948.db2.gz XLRJUCGXUIVHNS-JTQLQIEISA-N 1 0 329.360 2.422 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000590599275 468283367 /nfs/dbraw/zinc/28/33/67/468283367.db2.gz DWMGXJJVARZAOF-AWEZNQCLSA-N 1 0 340.383 2.468 10 5 EEBERO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000089603139 462697797 /nfs/dbraw/zinc/69/77/97/462697797.db2.gz GWFSGGMUCMRXFC-GFCCVEGCSA-N 1 0 326.784 2.308 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000076487993 462867555 /nfs/dbraw/zinc/86/75/55/462867555.db2.gz XSSMWXILGIMXHR-OCCSQVGLSA-N 1 0 335.404 2.406 10 5 EEBERO COCc1cc([N+](=O)[O-])ccc1NC1CCN(CC[NH+](C)C)CC1 ZINC000080594992 463334787 /nfs/dbraw/zinc/33/47/87/463334787.db2.gz CEINNBZDPYRNRB-UHFFFAOYSA-N 1 0 336.436 2.179 10 5 EEBERO C[NH+](C)C1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000193813656 463744151 /nfs/dbraw/zinc/74/41/51/463744151.db2.gz XURQHIXJOHQKGX-UHFFFAOYSA-N 1 0 331.376 2.171 10 5 EEBERO COc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000187008902 464090280 /nfs/dbraw/zinc/09/02/80/464090280.db2.gz HRDWFSAWJKDWAU-CHWSQXEVSA-N 1 0 347.371 2.089 10 5 EEBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cc2ccccc2)n1 ZINC000554370984 468399794 /nfs/dbraw/zinc/39/97/94/468399794.db2.gz FYNCAMNWBWZVPQ-BBWFWOEESA-N 1 0 344.415 2.468 10 5 EEBERO CN1CCN([C@@H]2CCCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174901094 464466571 /nfs/dbraw/zinc/46/65/71/464466571.db2.gz FTNMRQGPOPAGKA-QGZVFWFLSA-N 1 0 332.448 2.197 10 5 EEBERO COC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182409187 464648750 /nfs/dbraw/zinc/64/87/50/464648750.db2.gz HSFQDYGYMLGQQY-CVEARBPZSA-N 1 0 346.383 2.312 10 5 EEBERO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183200588 464820935 /nfs/dbraw/zinc/82/09/35/464820935.db2.gz FHDNHSHAYGCBCT-ABAIWWIYSA-N 1 0 337.376 2.089 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000249564528 464892036 /nfs/dbraw/zinc/89/20/36/464892036.db2.gz MRVKQHTYIZKBOE-BHYGNILZSA-N 1 0 348.424 2.398 10 5 EEBERO Cc1c(NC(=O)CC[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cccc1[N+](=O)[O-] ZINC000360971637 465674191 /nfs/dbraw/zinc/67/41/91/465674191.db2.gz CTNLJFCAPFKITG-UUVAVEHKSA-N 1 0 347.415 2.325 10 5 EEBERO Cc1ccncc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361425931 465986943 /nfs/dbraw/zinc/98/69/43/465986943.db2.gz PSNUJONOBYAJKY-OAHLLOKOSA-N 1 0 331.372 2.170 10 5 EEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000301784404 466030800 /nfs/dbraw/zinc/03/08/00/466030800.db2.gz KOAMXNNFIDWPJP-WCQYABFASA-N 1 0 341.433 2.139 10 5 EEBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000362870725 466086966 /nfs/dbraw/zinc/08/69/66/466086966.db2.gz HHQFKDTZPHSTGJ-INIZCTEOSA-N 1 0 343.431 2.388 10 5 EEBERO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594045670 468471485 /nfs/dbraw/zinc/47/14/85/468471485.db2.gz XOFSMEUJIRZLAT-HOTGVXAUSA-N 1 0 335.404 2.495 10 5 EEBERO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347013962 466320332 /nfs/dbraw/zinc/32/03/32/466320332.db2.gz QBJLKKLETJILAE-OAHLLOKOSA-N 1 0 344.415 2.478 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000367570561 466419906 /nfs/dbraw/zinc/41/99/06/466419906.db2.gz QNSJAUIQUYIMRZ-KGLIPLIRSA-N 1 0 349.435 2.055 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000341055017 466544625 /nfs/dbraw/zinc/54/46/25/466544625.db2.gz HKEJSFRMVADNDI-PHIMTYICSA-N 1 0 338.383 2.309 10 5 EEBERO COC(=O)[C@@H]1CSCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412069653 466992680 /nfs/dbraw/zinc/99/26/80/466992680.db2.gz HQJGQLPWHMOSMX-JTQLQIEISA-N 1 0 328.365 2.072 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000378503419 467323783 /nfs/dbraw/zinc/32/37/83/467323783.db2.gz AQXUPUKXMUNNAE-YJBOKZPZSA-N 1 0 343.383 2.124 10 5 EEBERO O=C1C[C@@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000414214510 467391259 /nfs/dbraw/zinc/39/12/59/467391259.db2.gz ZDEBFFSDCQZZEE-ACJLOTCBSA-N 1 0 325.368 2.410 10 5 EEBERO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449785304 467714668 /nfs/dbraw/zinc/71/46/68/467714668.db2.gz FMTOSPAHMVRUBH-AWEZNQCLSA-N 1 0 345.399 2.353 10 5 EEBERO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC000494090456 468026561 /nfs/dbraw/zinc/02/65/61/468026561.db2.gz QXBKGVKUTVODLR-UHFFFAOYSA-N 1 0 337.424 2.055 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccsc2)cc1 ZINC000517359119 468082220 /nfs/dbraw/zinc/08/22/20/468082220.db2.gz ZZBMFNZLKQGRET-UHFFFAOYSA-N 1 0 340.426 2.262 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000589515149 468158234 /nfs/dbraw/zinc/15/82/34/468158234.db2.gz KGECZBNIIBKOKP-HNNXBMFYSA-N 1 0 335.404 2.298 10 5 EEBERO C[N@@H+]1CCCC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000600315901 468531122 /nfs/dbraw/zinc/53/11/22/468531122.db2.gz WYBRTAUQMNTSPF-LLVKDONJSA-N 1 0 341.358 2.264 10 5 EEBERO CC(C)(NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594524659 468616246 /nfs/dbraw/zinc/61/62/46/468616246.db2.gz LHTSEPKRRJZSNM-SNVBAGLBSA-N 1 0 334.298 2.019 10 5 EEBERO CC(C)(C)N1CC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594717996 468662359 /nfs/dbraw/zinc/66/23/59/468662359.db2.gz JUTWZQPARODYGX-CYBMUJFWSA-N 1 0 334.420 2.386 10 5 EEBERO CC[N@H+](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000558576122 468689109 /nfs/dbraw/zinc/68/91/09/468689109.db2.gz AZLGJKVGMJHBIK-UHFFFAOYSA-N 1 0 330.388 2.219 10 5 EEBERO CCN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@H+](C)C1 ZINC000597946015 468721248 /nfs/dbraw/zinc/72/12/48/468721248.db2.gz MXTCFCHXNFPGAH-AWEZNQCLSA-N 1 0 330.388 2.171 10 5 EEBERO Cn1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988239 468738715 /nfs/dbraw/zinc/73/87/15/468738715.db2.gz ODLRTYIZJMNBND-JKSUJKDBSA-N 1 0 342.399 2.388 10 5 EEBERO CCC[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601106633 468743435 /nfs/dbraw/zinc/74/34/35/468743435.db2.gz SZJAMESRPNAYMU-VIFPVBQESA-N 1 0 335.330 2.491 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000595046310 468748244 /nfs/dbraw/zinc/74/82/44/468748244.db2.gz PCBGUUVYSWFSNR-PXAZEXFGSA-N 1 0 338.404 2.432 10 5 EEBERO C[NH+](C)C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000601189973 468776290 /nfs/dbraw/zinc/77/62/90/468776290.db2.gz YDHUWCIZZBHCQS-OAHLLOKOSA-N 1 0 345.346 2.089 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000601200663 468779630 /nfs/dbraw/zinc/77/96/30/468779630.db2.gz FKCRCOSSUGTJLA-VIFPVBQESA-N 1 0 335.330 2.491 10 5 EEBERO Cc1ccc(NCCCNC(=O)C2([NH3+])CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000595248400 468792611 /nfs/dbraw/zinc/79/26/11/468792611.db2.gz GBZWGRVTESBBMW-UHFFFAOYSA-N 1 0 346.431 2.483 10 5 EEBERO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601359614 468839004 /nfs/dbraw/zinc/83/90/04/468839004.db2.gz JJNNKTGLMZJUCP-NSHDSACASA-N 1 0 347.462 2.070 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1 ZINC000593024692 468843248 /nfs/dbraw/zinc/84/32/48/468843248.db2.gz KLCKQZHHUDNDGE-MKBNYLNASA-N 1 0 336.388 2.363 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@@H]3CCCO3)o2)cc1 ZINC000598989780 469079507 /nfs/dbraw/zinc/07/95/07/469079507.db2.gz AAQNHMHNDNDHFT-RDJZCZTQSA-N 1 0 332.356 2.484 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000602828908 469104220 /nfs/dbraw/zinc/10/42/20/469104220.db2.gz SYVNAUZZHVJMKW-HNKHHVNMSA-N 1 0 336.436 2.361 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599086231 469113427 /nfs/dbraw/zinc/11/34/27/469113427.db2.gz ZKMWXQJLVKWBTH-DIOULYMOSA-N 1 0 333.388 2.469 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599161011 469142790 /nfs/dbraw/zinc/14/27/90/469142790.db2.gz TXAKPSRPWWXGIV-UHFFFAOYSA-N 1 0 335.404 2.295 10 5 EEBERO O=[N+]([O-])c1ccc2ncnc(NC[C@H]3CC[N@@H+]3C3CCCC3)c2c1 ZINC000599166576 469146631 /nfs/dbraw/zinc/14/66/31/469146631.db2.gz YFBSETJAUVDTQS-CQSZACIVSA-N 1 0 327.388 2.967 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000599182794 469153373 /nfs/dbraw/zinc/15/33/73/469153373.db2.gz BNYFPCGEVSVQMI-UHFFFAOYSA-N 1 0 338.383 2.210 10 5 EEBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604445994 469479451 /nfs/dbraw/zinc/47/94/51/469479451.db2.gz YIWLADLCHXHDBZ-CMPLNLGQSA-N 1 0 341.795 2.226 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000617413970 469672712 /nfs/dbraw/zinc/67/27/12/469672712.db2.gz WZJNGWZSUQCMCA-HNNXBMFYSA-N 1 0 349.434 2.365 10 5 EEBERO COc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000608901297 469884650 /nfs/dbraw/zinc/88/46/50/469884650.db2.gz WYLMRERYLYRVDQ-UHFFFAOYSA-N 1 0 339.311 2.436 10 5 EEBERO CCOC(=O)c1ccnc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000129723194 528273527 /nfs/dbraw/zinc/27/35/27/528273527.db2.gz WWXIZAOWHDUULI-WCQYABFASA-N 1 0 336.392 2.307 10 5 EEBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451254125 536181499 /nfs/dbraw/zinc/18/14/99/536181499.db2.gz OIWOOCGJZITEAS-OCCSQVGLSA-N 1 0 332.360 2.238 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000771258584 577612638 /nfs/dbraw/zinc/61/26/38/577612638.db2.gz WYYYRVOLJHCQLR-STQMWFEESA-N 1 0 329.397 2.224 10 5 EEBERO Cc1c(Br)c(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ncc1[N+](=O)[O-] ZINC000261861737 681844002 /nfs/dbraw/zinc/84/40/02/681844002.db2.gz XXMNCMFEOGNIKL-LPEHRKFASA-N 1 0 341.209 2.234 10 5 EEBERO Cc1ccc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000895340736 684515769 /nfs/dbraw/zinc/51/57/69/684515769.db2.gz BKHCJOBBMCCYRX-OAHLLOKOSA-N 1 0 332.404 2.283 10 5 EEBERO CCc1nc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001267442384 1179018062 /nfs/dbraw/zinc/01/80/62/1179018062.db2.gz XSCKQISXBHCWFU-UHFFFAOYSA-N 1 0 346.387 2.315 10 5 EEBERO O=C(NCCC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267943676 1180805106 /nfs/dbraw/zinc/80/51/06/1180805106.db2.gz YACAWRFVUVWEKV-IAGOWNOFSA-N 1 0 337.464 2.450 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccc1F ZINC001268252236 1182082996 /nfs/dbraw/zinc/08/29/96/1182082996.db2.gz QPPZJQILIYQMQO-UHFFFAOYSA-N 1 0 346.362 2.333 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)cnn1 ZINC001268788987 1183704137 /nfs/dbraw/zinc/70/41/37/1183704137.db2.gz FVAHLMSEHNLXTD-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO CC/C(C)=C\C(=O)N[C@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001269986183 1184764846 /nfs/dbraw/zinc/76/48/46/1184764846.db2.gz VKKACOYUYOOOMX-NSCCEZDJSA-N 1 0 349.435 2.202 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)CC2CCC2)CCCC1 ZINC001270727990 1185351095 /nfs/dbraw/zinc/35/10/95/1185351095.db2.gz PKJKVLITGNDCHK-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1=COCCC1 ZINC001482988575 1187957657 /nfs/dbraw/zinc/95/76/57/1187957657.db2.gz PDXQVGNVUJJBML-ARJAWSKDSA-N 1 0 331.372 2.051 10 5 EEBERO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062331 1198037529 /nfs/dbraw/zinc/03/75/29/1198037529.db2.gz GOTPRSZLMHDWJX-CORIIIEPSA-N 1 0 342.367 2.205 10 5 EEBERO CC(C)(C)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000872249074 1198111318 /nfs/dbraw/zinc/11/13/18/1198111318.db2.gz ZTWXDSCNWHLSSR-GFCCVEGCSA-N 1 0 338.433 2.301 10 5 EEBERO CC(C)c1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869778875 1200272512 /nfs/dbraw/zinc/27/25/12/1200272512.db2.gz PWXIIRXUXIKCJH-AWEZNQCLSA-N 1 0 349.431 2.293 10 5 EEBERO CCOC(=O)c1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866207533 1201464573 /nfs/dbraw/zinc/46/45/73/1201464573.db2.gz XEIXJYSVZSUXLP-IUODEOHRSA-N 1 0 333.388 2.302 10 5 EEBERO Cc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000868358607 1201797873 /nfs/dbraw/zinc/79/78/73/1201797873.db2.gz QZXKUVSHVWRBAD-CYBMUJFWSA-N 1 0 334.420 2.434 10 5 EEBERO COc1ccc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000926089693 1206190348 /nfs/dbraw/zinc/19/03/48/1206190348.db2.gz YOBBNYDXKJQOCC-MRXNPFEDSA-N 1 0 334.376 2.353 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310514 1206623543 /nfs/dbraw/zinc/62/35/43/1206623543.db2.gz LGLIOBPFCWXTHB-ROUUACIJSA-N 1 0 346.431 2.115 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974123 1242811718 /nfs/dbraw/zinc/81/17/18/1242811718.db2.gz MKWGZUHXESMLOW-WMHVBEDNSA-N 1 0 331.416 2.356 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c(F)c1 ZINC000850348598 1277191809 /nfs/dbraw/zinc/19/18/09/1277191809.db2.gz PPOJQEWHUQFSAB-NRFANRHFSA-N 1 0 328.287 2.135 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@H](O)C34CCC4)CC2)cc1 ZINC000850546669 1277262510 /nfs/dbraw/zinc/26/25/10/1277262510.db2.gz NXMZHBCCTNRCEA-IRXDYDNUSA-N 1 0 331.416 2.457 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)c(Br)c1 ZINC001118563447 1308884102 /nfs/dbraw/zinc/88/41/02/1308884102.db2.gz MAXHZICHDURJJB-GXFFZTMASA-N 1 0 327.178 2.314 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841891072 1315631313 /nfs/dbraw/zinc/63/13/13/1315631313.db2.gz HODKRAFYTKFWLJ-VXGBXAGGSA-N 1 0 327.812 2.135 10 5 EEBERO CC(C)SCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001265710745 1323346560 /nfs/dbraw/zinc/34/65/60/1323346560.db2.gz XJNHJUJRJZCBDM-HALDLXJZSA-N 1 0 349.456 2.283 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001297103608 1329943402 /nfs/dbraw/zinc/94/34/02/1329943402.db2.gz CHAIHSLAELIPSU-VXGBXAGGSA-N 1 0 345.403 2.208 10 5 EEBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001302593315 1331330399 /nfs/dbraw/zinc/33/03/99/1331330399.db2.gz DSMIKEUMLUIBQR-AWEZNQCLSA-N 1 0 348.403 2.222 10 5 EEBERO CC(C)CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001318884492 1332616924 /nfs/dbraw/zinc/61/69/24/1332616924.db2.gz AEYOBDQXTYKXFR-HZPDHXFCSA-N 1 0 325.453 2.306 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001344683170 1337410184 /nfs/dbraw/zinc/41/01/84/1337410184.db2.gz CCRFNOCNOLJKNF-KGYLQXTDSA-N 1 0 334.376 2.065 10 5 EEBERO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCNc3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001347261780 1337500775 /nfs/dbraw/zinc/50/07/75/1337500775.db2.gz IYOAMTDCDFYAIM-CPUCHLNUSA-N 1 0 346.431 2.243 10 5 EEBERO C[C@@H]1C[C@@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC001559122381 1342498310 /nfs/dbraw/zinc/49/83/10/1342498310.db2.gz FKHYFKCUOHZQDH-MNOVXSKESA-N 1 0 345.359 2.368 10 5 EEBERO C[C@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001560096220 1342507110 /nfs/dbraw/zinc/50/71/10/1342507110.db2.gz POZGKELXPVADFV-FZMZJTMJSA-N 1 0 329.360 2.243 10 5 EEBERO CC(C)N(CC[N@H+](C)CCc1cccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001677199199 1357293949 /nfs/dbraw/zinc/29/39/49/1357293949.db2.gz XBIQVKGFPNBEQV-HUUCEWRRSA-N 1 0 339.461 2.125 10 5 EEBERO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+](C2CCC2)C1 ZINC001628219651 1352526063 /nfs/dbraw/zinc/52/60/63/1352526063.db2.gz ZXGATJKRKQHIQX-LBPRGKRZSA-N 1 0 332.404 2.123 10 5 EEBERO COC(=O)[C@@]1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001648010086 1353413049 /nfs/dbraw/zinc/41/30/49/1353413049.db2.gz DTICYZHWKAWWIA-SJCJKPOMSA-N 1 0 349.387 2.054 10 5 EEBERO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001648309653 1353423985 /nfs/dbraw/zinc/42/39/85/1353423985.db2.gz AXRMTRHKTBRNCC-GFCCVEGCSA-N 1 0 335.429 2.388 10 5 EEBERO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001654909647 1354161234 /nfs/dbraw/zinc/16/12/34/1354161234.db2.gz RPLNDLVGKWTHOK-LRDDRELGSA-N 1 0 335.404 2.453 10 5 EEBERO O=C(C[NH2+]C1([C@@H]2CCCO2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001656524453 1354244668 /nfs/dbraw/zinc/24/46/68/1354244668.db2.gz WWCHIHBJMRURFW-INIZCTEOSA-N 1 0 345.399 2.175 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnco1)Cc1cccc([N+](=O)[O-])c1 ZINC001660566864 1354491164 /nfs/dbraw/zinc/49/11/64/1354491164.db2.gz ICYWYBOBOFNRKG-UHFFFAOYSA-N 1 0 332.360 2.225 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccncc1F ZINC001668393898 1355932932 /nfs/dbraw/zinc/93/29/32/1355932932.db2.gz XCSVUUSWARDGTL-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC001669096547 1356092449 /nfs/dbraw/zinc/09/24/49/1356092449.db2.gz LXJFYBSKWQZNKW-PLNGDYQASA-N 1 0 340.383 2.374 10 5 EEBERO Cc1[nH]nc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001670046717 1356266628 /nfs/dbraw/zinc/26/66/28/1356266628.db2.gz MXQRGMBJYCUKAF-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000846681879 790392663 /nfs/dbraw/zinc/39/26/63/790392663.db2.gz ZWMHITTWZOWWLQ-UHFFFAOYSA-N 1 0 332.404 2.004 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000846698530 790433317 /nfs/dbraw/zinc/43/33/17/790433317.db2.gz INESTTPEGLDENM-VHSXEESVSA-N 1 0 347.824 2.057 10 5 EEBERO C[C@@]1(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[NH+]2CCC1CC2 ZINC000912376686 788149206 /nfs/dbraw/zinc/14/92/06/788149206.db2.gz JZNRBAGSJOVGAY-QGZVFWFLSA-N 1 0 328.372 2.290 10 5 EEBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000912648243 788281066 /nfs/dbraw/zinc/28/10/66/788281066.db2.gz FFMPIOBYHYNVHQ-UNEWFSDZSA-N 1 0 349.431 2.350 10 5 EEBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000912648242 788281358 /nfs/dbraw/zinc/28/13/58/788281358.db2.gz FFMPIOBYHYNVHQ-UKPHBRMFSA-N 1 0 349.431 2.350 10 5 EEBERO CNc1ccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000913292613 788769908 /nfs/dbraw/zinc/76/99/08/788769908.db2.gz BFEVEZOJYVJZFK-IAGOWNOFSA-N 1 0 332.404 2.050 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000845157335 789614185 /nfs/dbraw/zinc/61/41/85/789614185.db2.gz PMZWIKBXPSRNGY-CQSZACIVSA-N 1 0 338.360 2.011 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923535814 789746812 /nfs/dbraw/zinc/74/68/12/789746812.db2.gz CIEHKYVYNOLPLJ-QGZVFWFLSA-N 1 0 332.404 2.060 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000789518497 808039170 /nfs/dbraw/zinc/03/91/70/808039170.db2.gz GIYUFOQOIJCOOR-CQSZACIVSA-N 1 0 345.403 2.283 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC001444666629 1099505741 /nfs/dbraw/zinc/50/57/41/1099505741.db2.gz GRKYSQMAUARMPD-FZMZJTMJSA-N 1 0 349.387 2.440 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccc[nH]1 ZINC001493528668 1108274818 /nfs/dbraw/zinc/27/48/18/1108274818.db2.gz YGKXIRFVGAIJPF-CMDGGOBGSA-N 1 0 328.372 2.184 10 5 EEBERO CCC(C)(C)[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001469658678 1110494549 /nfs/dbraw/zinc/49/45/49/1110494549.db2.gz OFMQEXZZXICGDD-UHFFFAOYSA-N 1 0 348.447 2.364 10 5 EEBERO C[C@@]12CSC[C@@H]1C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC001473861618 1110582913 /nfs/dbraw/zinc/58/29/13/1110582913.db2.gz DZAQWWAYAOEGAQ-WOSRLPQWSA-N 1 0 338.429 2.019 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001519930773 1119114733 /nfs/dbraw/zinc/11/47/33/1119114733.db2.gz MYYXJLJRRNMAAQ-MAZHCROVSA-N 1 0 346.431 2.469 10 5 EEBERO CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC001545090625 1124178736 /nfs/dbraw/zinc/17/87/36/1124178736.db2.gz JUBSXVGMVNJMKO-GFCCVEGCSA-N 1 0 325.796 2.343 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccsn1 ZINC001568868904 1124894211 /nfs/dbraw/zinc/89/42/11/1124894211.db2.gz CEACCRRXSVJOOB-OWOJBTEDSA-N 1 0 332.385 2.127 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000037040248 213132000 /nfs/dbraw/zinc/13/20/00/213132000.db2.gz XEHVBOZOXGEEOL-QMMMGPOBSA-N 1 0 328.166 2.295 10 5 EEBERO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1c1ccc([N+](=O)[O-])cn1 ZINC000225813437 242048717 /nfs/dbraw/zinc/04/87/17/242048717.db2.gz OQAMNCASRFQGEC-ZIAGYGMSSA-N 1 0 336.436 2.440 10 5 EEBERO CCNC(=O)C1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459617207 245188603 /nfs/dbraw/zinc/18/86/03/245188603.db2.gz ZGSJWFDHMWYTGJ-UHFFFAOYSA-N 1 0 329.356 2.423 10 5 EEBERO CCNC(=O)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000090410206 217928278 /nfs/dbraw/zinc/92/82/78/217928278.db2.gz YKOBPIPHTHEEBD-HOTGVXAUSA-N 1 0 346.431 2.309 10 5 EEBERO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271335393 256234618 /nfs/dbraw/zinc/23/46/18/256234618.db2.gz BRTFDUCRRJFBST-UHFFFAOYSA-N 1 0 343.387 2.485 10 5 EEBERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000249950912 160386742 /nfs/dbraw/zinc/38/67/42/160386742.db2.gz HMPWVHBBZQLXDV-BXUZGUMPSA-N 1 0 333.388 2.221 10 5 EEBERO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000186170262 160060850 /nfs/dbraw/zinc/06/08/50/160060850.db2.gz IRSDYBSNNQEXHY-UHFFFAOYSA-N 1 0 349.478 2.399 10 5 EEBERO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000246372462 160275903 /nfs/dbraw/zinc/27/59/03/160275903.db2.gz YSKWBKAVJUSNQE-DLBZAZTESA-N 1 0 330.388 2.470 10 5 EEBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000247299250 160319408 /nfs/dbraw/zinc/31/94/08/160319408.db2.gz UVAINDCFHXYUJY-GXTWGEPZSA-N 1 0 344.371 2.223 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247449859 160325207 /nfs/dbraw/zinc/32/52/07/160325207.db2.gz QDKHGHUAVMVAPE-UONOGXRCSA-N 1 0 335.404 2.162 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248062455 160337003 /nfs/dbraw/zinc/33/70/03/160337003.db2.gz PGBCSQMABWMOPX-NVXWUHKLSA-N 1 0 340.383 2.352 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343870797 161176201 /nfs/dbraw/zinc/17/62/01/161176201.db2.gz DNCVCJSDCFCTEA-WDEREUQCSA-N 1 0 339.342 2.159 10 5 EEBERO COc1cc(C[N@H+](CCC(N)=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000352526316 162173041 /nfs/dbraw/zinc/17/30/41/162173041.db2.gz MMTLNBZAHDQDRX-UHFFFAOYSA-N 1 0 343.383 2.481 10 5 EEBERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000122971278 222193500 /nfs/dbraw/zinc/19/35/00/222193500.db2.gz WDDCCAMVCMAYDL-CQSZACIVSA-N 1 0 343.387 2.102 10 5 EEBERO C[NH+](C)CCCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279303875 269269662 /nfs/dbraw/zinc/26/96/62/269269662.db2.gz CPSBEHBBNTTYOQ-UHFFFAOYSA-N 1 0 331.775 2.388 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000191773253 274052078 /nfs/dbraw/zinc/05/20/78/274052078.db2.gz MGQJWGKJWLQFCM-CYBMUJFWSA-N 1 0 337.424 2.053 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000285396588 274724040 /nfs/dbraw/zinc/72/40/40/274724040.db2.gz DRSZJSWLDXBALJ-CQSZACIVSA-N 1 0 347.337 2.256 10 5 EEBERO CC1(C)CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000261923985 278322333 /nfs/dbraw/zinc/32/23/33/278322333.db2.gz VLUHWFFWGNIMGI-INIZCTEOSA-N 1 0 346.431 2.394 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262254674 289765096 /nfs/dbraw/zinc/76/50/96/289765096.db2.gz QMOHYJOFWOZSDB-QIIPPGSGSA-N 1 0 347.415 2.086 10 5 EEBERO CC(C)[C@@H](O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000292936459 293082833 /nfs/dbraw/zinc/08/28/33/293082833.db2.gz NBMFWTFZXJBMOA-INIZCTEOSA-N 1 0 347.419 2.000 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000299672063 294801272 /nfs/dbraw/zinc/80/12/72/294801272.db2.gz SSJIVGGKFXOFSM-ZIAGYGMSSA-N 1 0 335.404 2.132 10 5 EEBERO Cc1nn(C)c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1[N+](=O)[O-] ZINC000351042052 312360847 /nfs/dbraw/zinc/36/08/47/312360847.db2.gz BJSGPZZLXPTUGQ-UHFFFAOYSA-N 1 0 325.288 2.001 10 5 EEBERO O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000422640731 314298344 /nfs/dbraw/zinc/29/83/44/314298344.db2.gz VZHGHOFWCLQTBA-UHFFFAOYSA-N 1 0 338.795 2.015 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000525033117 317037460 /nfs/dbraw/zinc/03/74/60/317037460.db2.gz BBFHXMRPYXIBIP-UKRRQHHQSA-N 1 0 349.431 2.335 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000532142124 317844722 /nfs/dbraw/zinc/84/47/22/317844722.db2.gz KDOYGSIRWABSCP-HNNXBMFYSA-N 1 0 332.335 2.162 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H]2c2ccccc2)c1 ZINC000576214141 320151383 /nfs/dbraw/zinc/15/13/83/320151383.db2.gz MIVFKLDRENJKEQ-NXHRZFHOSA-N 1 0 328.368 2.480 10 5 EEBERO [NH3+][C@@H]1CCC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@@H]21 ZINC000236294664 464213219 /nfs/dbraw/zinc/21/32/19/464213219.db2.gz LULKWSHQAAEDIP-ATZCPNFKSA-N 1 0 341.209 2.316 10 5 EEBERO O=[N+]([O-])c1cnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)s1 ZINC000337029452 465155093 /nfs/dbraw/zinc/15/50/93/465155093.db2.gz XJHLWPDWQDDMCW-LBPRGKRZSA-N 1 0 326.422 2.133 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c([N+](=O)[O-])cc1OC ZINC000128443775 462640301 /nfs/dbraw/zinc/64/03/01/462640301.db2.gz LWEMYBGJTOTFJH-GFCCVEGCSA-N 1 0 346.387 2.335 10 5 EEBERO Cc1sc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000104531884 463416026 /nfs/dbraw/zinc/41/60/26/463416026.db2.gz MAKBYXPNNBWXHS-LBPRGKRZSA-N 1 0 341.433 2.148 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC000072281695 463496305 /nfs/dbraw/zinc/49/63/05/463496305.db2.gz WXUCYFFTLRYGAL-UHFFFAOYSA-N 1 0 344.375 2.124 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnn4ccccc34)C2)nc1 ZINC000179819304 464193545 /nfs/dbraw/zinc/19/35/45/464193545.db2.gz ITRLEAUJSSYCRH-AWEZNQCLSA-N 1 0 338.371 2.324 10 5 EEBERO C[C@H](C[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237605802 464348166 /nfs/dbraw/zinc/34/81/66/464348166.db2.gz VZXWMRHKSPYJIX-BVGQSLNGSA-N 1 0 330.384 2.382 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000599916006 468412864 /nfs/dbraw/zinc/41/28/64/468412864.db2.gz BNBCIVDKYRQAII-UONOGXRCSA-N 1 0 349.435 2.145 10 5 EEBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000190447715 464647164 /nfs/dbraw/zinc/64/71/64/464647164.db2.gz HQILCSCCMVJGNV-HNNXBMFYSA-N 1 0 327.388 2.343 10 5 EEBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541783 464944590 /nfs/dbraw/zinc/94/45/90/464944590.db2.gz SMDRJAVOPXIQLN-CYBMUJFWSA-N 1 0 333.417 2.405 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268219161 464978849 /nfs/dbraw/zinc/97/88/49/464978849.db2.gz WKRINZLQCRJFRF-CYBMUJFWSA-N 1 0 325.796 2.343 10 5 EEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000298937776 465546272 /nfs/dbraw/zinc/54/62/72/465546272.db2.gz IDRVWJVZSDJUIU-MRXNPFEDSA-N 1 0 327.384 2.498 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597094935 468441585 /nfs/dbraw/zinc/44/15/85/468441585.db2.gz LBSFZXRCNHPBRY-VIFPVBQESA-N 1 0 341.799 2.294 10 5 EEBERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301235017 465926679 /nfs/dbraw/zinc/92/66/79/465926679.db2.gz LGTHJUNJYGYTRB-UPJWGTAASA-N 1 0 334.420 2.472 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301482034 465970832 /nfs/dbraw/zinc/97/08/32/465970832.db2.gz SSHXMSUWWORMRV-LLVKDONJSA-N 1 0 331.376 2.164 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000302185605 466113834 /nfs/dbraw/zinc/11/38/34/466113834.db2.gz PGAGHHDFFAJBAQ-ZIAGYGMSSA-N 1 0 333.388 2.302 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597215132 468482589 /nfs/dbraw/zinc/48/25/89/468482589.db2.gz XFLCZIYXIXFUKX-LBPRGKRZSA-N 1 0 347.415 2.453 10 5 EEBERO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cccc1[N+](=O)[O-] ZINC000367413288 466321693 /nfs/dbraw/zinc/32/16/93/466321693.db2.gz QYEHKOJAZVSQOH-CJNGLKHVSA-N 1 0 347.415 2.334 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597236496 468490882 /nfs/dbraw/zinc/49/08/82/468490882.db2.gz RAGASHOHKUHQEK-IVZVJUQRSA-N 1 0 331.416 2.139 10 5 EEBERO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000311595930 466525585 /nfs/dbraw/zinc/52/55/85/466525585.db2.gz HMRLEGIRORHSIP-PRHODGIISA-N 1 0 329.198 2.173 10 5 EEBERO C[C@@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc([N+](=O)[O-])c1 ZINC000417146243 466791022 /nfs/dbraw/zinc/79/10/22/466791022.db2.gz YAAMYALUFHBVBU-YUELXQCFSA-N 1 0 332.404 2.297 10 5 EEBERO C[N@H+]1C[C@H]2CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000365517952 466844298 /nfs/dbraw/zinc/84/42/98/466844298.db2.gz UTLSGUCPWWUWPL-TXEJJXNPSA-N 1 0 340.221 2.351 10 5 EEBERO Cc1c(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cccc1[N+](=O)[O-] ZINC000377097102 467025775 /nfs/dbraw/zinc/02/57/75/467025775.db2.gz JKSWNNHINDTQAH-CQSZACIVSA-N 1 0 327.388 2.655 10 5 EEBERO C[C@@H](C[NH3+])CNc1ccc(I)cc1[N+](=O)[O-] ZINC000420212397 467322276 /nfs/dbraw/zinc/32/22/76/467322276.db2.gz GSGNXRKKQGLPEF-ZETCQYMHSA-N 1 0 335.145 2.206 10 5 EEBERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531884141 468082934 /nfs/dbraw/zinc/08/29/34/468082934.db2.gz QRDLSTISVWYRLD-BETUJISGSA-N 1 0 334.420 2.476 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000589518139 468159304 /nfs/dbraw/zinc/15/93/04/468159304.db2.gz AABOZJUVCDRQFO-CJNGLKHVSA-N 1 0 347.415 2.440 10 5 EEBERO CCc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590399910 468247272 /nfs/dbraw/zinc/24/72/72/468247272.db2.gz FDHRCRLSCCODFQ-NVXWUHKLSA-N 1 0 347.415 2.092 10 5 EEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590443728 468258418 /nfs/dbraw/zinc/25/84/18/468258418.db2.gz GMIXLPDOCFSOMC-BFYDXBDKSA-N 1 0 331.416 2.326 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000600677868 468618666 /nfs/dbraw/zinc/61/86/66/468618666.db2.gz CCPOVHSKIBXZRY-IUODEOHRSA-N 1 0 332.404 2.186 10 5 EEBERO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592154346 468640984 /nfs/dbraw/zinc/64/09/84/468640984.db2.gz QDCBOIHFJBZXRL-VNQPRFMTSA-N 1 0 336.436 2.300 10 5 EEBERO CC(C)Cc1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600742167 468644736 /nfs/dbraw/zinc/64/47/36/468644736.db2.gz BABRDWAXWXNEQQ-QGZVFWFLSA-N 1 0 332.404 2.141 10 5 EEBERO C[NH+]1CCC(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601029895 468724048 /nfs/dbraw/zinc/72/40/48/468724048.db2.gz DOWMUEAVHIIDKX-UHFFFAOYSA-N 1 0 331.416 2.475 10 5 EEBERO C[C@@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C[NH+]1CCCC1 ZINC000601106559 468743189 /nfs/dbraw/zinc/74/31/89/468743189.db2.gz ZSICYWGJYAKASN-VIFPVBQESA-N 1 0 335.330 2.491 10 5 EEBERO CC(C)[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601108806 468744373 /nfs/dbraw/zinc/74/43/73/468744373.db2.gz MUGYYOGWOMNGSW-SECBINFHSA-N 1 0 335.330 2.489 10 5 EEBERO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000595107625 468760356 /nfs/dbraw/zinc/76/03/56/468760356.db2.gz OWRVOCFTBAOCOI-NWDGAFQWSA-N 1 0 331.376 2.396 10 5 EEBERO Nc1c(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595225283 468788771 /nfs/dbraw/zinc/78/87/71/468788771.db2.gz MIJFLNTYHMNINJ-GXTWGEPZSA-N 1 0 332.404 2.171 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595272211 468797689 /nfs/dbraw/zinc/79/76/89/468797689.db2.gz AGTZKZZNPPZJNL-UHFFFAOYSA-N 1 0 330.388 2.021 10 5 EEBERO Cc1c(NC(=O)CCN2CCC[C@@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601333188 468829505 /nfs/dbraw/zinc/82/95/05/468829505.db2.gz CDCGOWHUIWISMH-PBHICJAKSA-N 1 0 346.431 2.306 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)c1 ZINC000593025775 468843393 /nfs/dbraw/zinc/84/33/93/468843393.db2.gz XXDFJIMXXRXFRH-SJCJKPOMSA-N 1 0 336.388 2.364 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000593032101 468845628 /nfs/dbraw/zinc/84/56/28/468845628.db2.gz TWRQIFRRDJIWHE-HNNXBMFYSA-N 1 0 334.372 2.261 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000593203267 468903085 /nfs/dbraw/zinc/90/30/85/468903085.db2.gz JTCBVRGHBJSXOP-UHFFFAOYSA-N 1 0 337.376 2.031 10 5 EEBERO C[C@@]12COC[C@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595760301 468994547 /nfs/dbraw/zinc/99/45/47/468994547.db2.gz SWCRQIKIAWRQDN-MLGOLLRUSA-N 1 0 330.344 2.113 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000601791102 469027406 /nfs/dbraw/zinc/02/74/06/469027406.db2.gz GNUPYWXGEKBVHF-UHFFFAOYSA-N 1 0 334.420 2.340 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000595906617 469075103 /nfs/dbraw/zinc/07/51/03/469075103.db2.gz MCHGMMWJZXYMJC-CQSZACIVSA-N 1 0 347.419 2.014 10 5 EEBERO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595922765 469085423 /nfs/dbraw/zinc/08/54/23/469085423.db2.gz KDKDCKBFAXWVCF-UHFFFAOYSA-N 1 0 342.355 2.253 10 5 EEBERO C[NH+](C)CCn1cc(Nc2ncnc3sc([N+](=O)[O-])cc32)cn1 ZINC000587593967 469091068 /nfs/dbraw/zinc/09/10/68/469091068.db2.gz WTLYLBABZJAAAG-UHFFFAOYSA-N 1 0 333.377 2.101 10 5 EEBERO Cn1nccc1[C@H](CO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599057194 469102748 /nfs/dbraw/zinc/10/27/48/469102748.db2.gz XZMMYXWNMATIPC-BPUTZDHNSA-N 1 0 344.415 2.363 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000599062432 469104065 /nfs/dbraw/zinc/10/40/65/469104065.db2.gz PXBOUCQEJPWQBY-CQSZACIVSA-N 1 0 342.399 2.302 10 5 EEBERO CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599075846 469109422 /nfs/dbraw/zinc/10/94/22/469109422.db2.gz AJGPRURAZISSHW-PVAVHDDUSA-N 1 0 333.432 2.226 10 5 EEBERO [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593726552 469111482 /nfs/dbraw/zinc/11/14/82/469111482.db2.gz NTQMXUJFFJZKOB-RDJZCZTQSA-N 1 0 335.404 2.019 10 5 EEBERO CNc1c(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000603142763 469279779 /nfs/dbraw/zinc/27/97/79/469279779.db2.gz OHDSMXDMJDIGML-CQSZACIVSA-N 1 0 334.420 2.439 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000599640312 469320265 /nfs/dbraw/zinc/32/02/65/469320265.db2.gz VACZTOFVTXPGAQ-QWQRMKEZSA-N 1 0 347.415 2.325 10 5 EEBERO Cc1c(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000619183107 469544991 /nfs/dbraw/zinc/54/49/91/469544991.db2.gz TZPZYOMMZVNBII-UHFFFAOYSA-N 1 0 345.403 2.406 10 5 EEBERO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)nc1-c1ccncc1 ZINC000756885013 577852323 /nfs/dbraw/zinc/85/23/23/577852323.db2.gz JSASTGBWMAPGPL-HUUCEWRRSA-N 1 0 343.387 2.312 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)C2C[NH+](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000896854075 685398681 /nfs/dbraw/zinc/39/86/81/685398681.db2.gz WAYILRPLWIGDRS-ZDUSSCGKSA-N 1 0 347.415 2.191 10 5 EEBERO Nc1c(C(=O)N2CC([NH+]3CCCC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000898597596 693389898 /nfs/dbraw/zinc/38/98/98/693389898.db2.gz ZPJDYTRFCZLIJT-UHFFFAOYSA-N 1 0 340.383 2.250 10 5 EEBERO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000898824154 693474661 /nfs/dbraw/zinc/47/46/61/693474661.db2.gz CIHDTABGKDGTEL-GJZGRUSLSA-N 1 0 335.379 2.265 10 5 EEBERO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001648854976 1176736923 /nfs/dbraw/zinc/73/69/23/1176736923.db2.gz MVLYJNZTEPGULV-CYBMUJFWSA-N 1 0 332.404 2.092 10 5 EEBERO CCC[N@H+](CCNC(=O)c1ncccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001481149451 1179924492 /nfs/dbraw/zinc/92/44/92/1179924492.db2.gz GVOOOEINPBZFIU-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO COc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001272138112 1187948300 /nfs/dbraw/zinc/94/83/00/1187948300.db2.gz QEGZSPBMGKCELZ-UHFFFAOYSA-N 1 0 347.371 2.400 10 5 EEBERO Cn1ccc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001482997503 1187977181 /nfs/dbraw/zinc/97/71/81/1187977181.db2.gz PUTORFOCKXCNRD-IHWYPQMZSA-N 1 0 328.372 2.009 10 5 EEBERO COCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001484391288 1191325647 /nfs/dbraw/zinc/32/56/47/1191325647.db2.gz KOQBFWAQKGTPNO-SHTZXODSSA-N 1 0 349.431 2.253 10 5 EEBERO Cn1cccc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001273047128 1194350977 /nfs/dbraw/zinc/35/09/77/1194350977.db2.gz BTBHQEMVWRBMQW-UHFFFAOYSA-N 1 0 342.399 2.376 10 5 EEBERO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872021580 1198028046 /nfs/dbraw/zinc/02/80/46/1198028046.db2.gz CMQHUIMSERKYCQ-LLVKDONJSA-N 1 0 347.412 2.056 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCOC(F)(F)C(F)(F)F)c1 ZINC000872244920 1198109481 /nfs/dbraw/zinc/10/94/81/1198109481.db2.gz VKPFLTRRDRNJQD-JTQLQIEISA-N 1 0 344.236 2.390 10 5 EEBERO CCc1nc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001273972780 1200166523 /nfs/dbraw/zinc/16/65/23/1200166523.db2.gz CQOOXQOHFAVNEL-ONEGZZNKSA-N 1 0 344.371 2.221 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000866397136 1201507345 /nfs/dbraw/zinc/50/73/45/1201507345.db2.gz CXZDBZICZXAZNH-NHYWBVRUSA-N 1 0 335.379 2.408 10 5 EEBERO O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000866720976 1201589452 /nfs/dbraw/zinc/58/94/52/1201589452.db2.gz QHYYJLPEUQJQCL-WCQYABFASA-N 1 0 338.795 2.013 10 5 EEBERO C/C(=C\C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000887928968 1204510256 /nfs/dbraw/zinc/51/02/56/1204510256.db2.gz CQULBERMROSLDN-IEDYDWBKSA-N 1 0 329.400 2.408 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001275668806 1205473860 /nfs/dbraw/zinc/47/38/60/1205473860.db2.gz VHGAAOODNKVMSI-HUUCEWRRSA-N 1 0 337.395 2.065 10 5 EEBERO COC[C@@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000930587450 1206568640 /nfs/dbraw/zinc/56/86/40/1206568640.db2.gz BOPKEQLYFYOKGH-OAHLLOKOSA-N 1 0 349.431 2.271 10 5 EEBERO Cc1nn(C)c(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000117093228 1229005961 /nfs/dbraw/zinc/00/59/61/1229005961.db2.gz MLOBIKNKORMFJK-CQSZACIVSA-N 1 0 344.371 2.068 10 5 EEBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000827280643 1239193916 /nfs/dbraw/zinc/19/39/16/1239193916.db2.gz GNPBKQKVHJMQRK-NSHDSACASA-N 1 0 339.342 2.490 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903484932 1240621591 /nfs/dbraw/zinc/62/15/91/1240621591.db2.gz GPCDTUSSTNCUQP-MRXNPFEDSA-N 1 0 346.431 2.496 10 5 EEBERO CC[NH+](CC)CCCN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC001196706380 1284209192 /nfs/dbraw/zinc/20/91/92/1284209192.db2.gz IIDJYWSYCFTISK-KRWDZBQOSA-N 1 0 337.420 2.305 10 5 EEBERO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858540557 1294148289 /nfs/dbraw/zinc/14/82/89/1294148289.db2.gz IOMOTIGVLHIQMU-LBPRGKRZSA-N 1 0 334.420 2.476 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000861345155 1295349934 /nfs/dbraw/zinc/34/99/34/1295349934.db2.gz ZLSBKKPSGAASKX-YVEFUNNKSA-N 1 0 347.371 2.342 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000861347886 1295352754 /nfs/dbraw/zinc/35/27/54/1295352754.db2.gz BAHFUTKTJGIHRI-DOTOQJQBSA-N 1 0 336.388 2.180 10 5 EEBERO CC(C)SCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001277006470 1300778692 /nfs/dbraw/zinc/77/86/92/1300778692.db2.gz HLEKNZAZGRJHCM-UHFFFAOYSA-N 1 0 337.445 2.475 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854505 1315624244 /nfs/dbraw/zinc/62/42/44/1315624244.db2.gz BNPCNMXMNVYKPB-NOZJJQNGSA-N 1 0 326.784 2.045 10 5 EEBERO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000841891068 1315631392 /nfs/dbraw/zinc/63/13/92/1315631392.db2.gz HODKRAFYTKFWLJ-NEPJUHHUSA-N 1 0 327.812 2.135 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001293251696 1328646587 /nfs/dbraw/zinc/64/65/87/1328646587.db2.gz DNWBKMRCKPQVMN-ZDUSSCGKSA-N 1 0 333.388 2.208 10 5 EEBERO CCC[N@@H+]1CCC[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001154336159 1317080911 /nfs/dbraw/zinc/08/09/11/1317080911.db2.gz ZAZLTDQCNIZFHX-AWEZNQCLSA-N 1 0 347.415 2.306 10 5 EEBERO Cc1c(OC(=O)c2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC001264717051 1322791836 /nfs/dbraw/zinc/79/18/36/1322791836.db2.gz JMXULEZWKVERQG-UHFFFAOYSA-N 1 0 345.355 2.458 10 5 EEBERO COCC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001283063237 1325905147 /nfs/dbraw/zinc/90/51/47/1325905147.db2.gz ZWOUNWUEWPAZLE-SHTZXODSSA-N 1 0 347.415 2.006 10 5 EEBERO C[NH+](C)C1(C)CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001288013707 1327597137 /nfs/dbraw/zinc/59/71/37/1327597137.db2.gz QZBJTXIKNIPGBR-UHFFFAOYSA-N 1 0 345.403 2.464 10 5 EEBERO COc1ccc(C[C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC001319791070 1332769290 /nfs/dbraw/zinc/76/92/90/1332769290.db2.gz ICUYRRUCZUYIAA-CQSZACIVSA-N 1 0 345.399 2.328 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)COC(C)(C)C ZINC001322473085 1333268953 /nfs/dbraw/zinc/26/89/53/1333268953.db2.gz RRAZUBBGUBWKSY-UHFFFAOYSA-N 1 0 337.420 2.348 10 5 EEBERO Cc1nocc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001322672675 1333304781 /nfs/dbraw/zinc/30/47/81/1333304781.db2.gz IIRFFONSJZEOPM-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001620613380 1352360778 /nfs/dbraw/zinc/36/07/78/1352360778.db2.gz DZLSQYSHQMGGSM-CYBMUJFWSA-N 1 0 337.376 2.101 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001627772266 1352509401 /nfs/dbraw/zinc/50/94/01/1352509401.db2.gz JTMGDPDCEXYGQX-UHFFFAOYSA-N 1 0 341.371 2.092 10 5 EEBERO COc1ccc(OCCN2CCc3[nH+]ccc(N)c3C2)c([N+](=O)[O-])c1 ZINC001659861296 1354388513 /nfs/dbraw/zinc/38/85/13/1354388513.db2.gz PTTXVMCDBJZPRE-UHFFFAOYSA-N 1 0 344.371 2.018 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC001659925071 1354389728 /nfs/dbraw/zinc/38/97/28/1354389728.db2.gz FJYADZIHPSCOCW-UHFFFAOYSA-N 1 0 341.371 2.080 10 5 EEBERO CC[N@H+](CCNC(=O)c1ccc(F)nc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663363162 1354953229 /nfs/dbraw/zinc/95/32/29/1354953229.db2.gz AJJGAZTZAQWSIU-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC001668672469 1355983417 /nfs/dbraw/zinc/98/34/17/1355983417.db2.gz DMKDNVWLRWXMAA-ARJAWSKDSA-N 1 0 326.356 2.066 10 5 EEBERO Cc1c(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1C ZINC001670241479 1356302318 /nfs/dbraw/zinc/30/23/18/1356302318.db2.gz HRYWKBRBYJTLFC-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)c1ccns1 ZINC001673173166 1356651682 /nfs/dbraw/zinc/65/16/82/1356651682.db2.gz XSIRRLNFHISCMS-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO CN(CCC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699506095 1405367777 /nfs/dbraw/zinc/36/77/77/1405367777.db2.gz DRWAOEVTJGHULS-HUUCEWRRSA-N 1 0 331.372 2.036 10 5 EEBERO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000708887604 786880761 /nfs/dbraw/zinc/88/07/61/786880761.db2.gz BZSUNWGTDNSBNR-MWLCHTKSSA-N 1 0 328.210 2.384 10 5 EEBERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911473420 787466456 /nfs/dbraw/zinc/46/64/56/787466456.db2.gz CFDWFZSHDYVLQD-UWVGGRQHSA-N 1 0 327.331 2.362 10 5 EEBERO C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000912034000 787902769 /nfs/dbraw/zinc/90/27/69/787902769.db2.gz QRHKDZMGTINANE-CQSZACIVSA-N 1 0 337.395 2.465 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCn2ccnc21 ZINC000824525821 788202039 /nfs/dbraw/zinc/20/20/39/788202039.db2.gz DRJOXSLQEAUUBM-RISCZKNCSA-N 1 0 329.360 2.243 10 5 EEBERO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCOC2CCOCC2)c1 ZINC000922935042 788372834 /nfs/dbraw/zinc/37/28/34/788372834.db2.gz YOQZDVQCEZNQKW-UHFFFAOYSA-N 1 0 346.330 2.481 10 5 EEBERO CCC[C@@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844376075 789072986 /nfs/dbraw/zinc/07/29/86/789072986.db2.gz WOZLEKFDSRFTEN-ABAIWWIYSA-N 1 0 341.383 2.449 10 5 EEBERO COC(=O)c1cnc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000922837617 802009870 /nfs/dbraw/zinc/00/98/70/802009870.db2.gz BZLKXWAOEAHSTM-UHFFFAOYSA-N 1 0 335.385 2.479 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922863766 802090624 /nfs/dbraw/zinc/09/06/24/802090624.db2.gz MSCLZFDXTSJGMX-UHFFFAOYSA-N 1 0 347.415 2.276 10 5 EEBERO Cn1cc([N+](=O)[O-])c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001185281940 802441768 /nfs/dbraw/zinc/44/17/68/802441768.db2.gz NUMSOGIRNSBCII-UHFFFAOYSA-N 1 0 329.404 2.429 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790565870 808804177 /nfs/dbraw/zinc/80/41/77/808804177.db2.gz VIWODRJDBWETIC-JTQLQIEISA-N 1 0 329.759 2.140 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cnc(C)[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001493282088 1107843239 /nfs/dbraw/zinc/84/32/39/1107843239.db2.gz VVBUPEJKWZHJQF-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO CC[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001458306114 1109856922 /nfs/dbraw/zinc/85/69/22/1109856922.db2.gz KIROJECODWQTHT-OAHLLOKOSA-N 1 0 329.404 2.429 10 5 EEBERO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c(F)c1 ZINC001458719853 1109947863 /nfs/dbraw/zinc/94/78/63/1109947863.db2.gz 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334.376 2.211 10 5 EEBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000526028700 317108452 /nfs/dbraw/zinc/10/84/52/317108452.db2.gz WUVRUWNHTGEOPX-UHFFFAOYSA-N 1 0 347.371 2.070 10 5 EEBERO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542892937 318146926 /nfs/dbraw/zinc/14/69/26/318146926.db2.gz GOAVAPVPBGIJGJ-SNVBAGLBSA-N 1 0 343.330 2.268 10 5 EEBERO Cc1nn(C)c(C)c1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558573453 318717036 /nfs/dbraw/zinc/71/70/36/318717036.db2.gz ZJLOXMSCHMHUMS-UHFFFAOYSA-N 1 0 345.403 2.106 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000575066405 320084442 /nfs/dbraw/zinc/08/44/42/320084442.db2.gz PLADVWYVMODHPC-UHFFFAOYSA-N 1 0 336.392 2.136 10 5 EEBERO CNc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000579823129 323936125 /nfs/dbraw/zinc/93/61/25/323936125.db2.gz SQIUXYPHEHWGES-HIFRSBDPSA-N 1 0 332.404 2.241 10 5 EEBERO O=C(CN1CC[C@H](Oc2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] 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SSEKWPOLXACBGJ-CYBMUJFWSA-N 1 0 347.337 2.424 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000291961275 464162765 /nfs/dbraw/zinc/16/27/65/464162765.db2.gz OEPAXUZGORTVCP-CQSZACIVSA-N 1 0 342.399 2.302 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264941495 464504663 /nfs/dbraw/zinc/50/46/63/464504663.db2.gz IIRIQXPYNHZSIF-AAEUAGOBSA-N 1 0 328.372 2.385 10 5 EEBERO CCCCNC(=O)NC(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181546978 464504615 /nfs/dbraw/zinc/50/46/15/464504615.db2.gz YPVKXGSJIAUPSS-CQSZACIVSA-N 1 0 336.392 2.261 10 5 EEBERO C[C@@H]1CC(O)C[C@@H](C)N1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191255862 464808980 /nfs/dbraw/zinc/80/89/80/464808980.db2.gz OMIANPSGOPWKOL-GHMZBOCLSA-N 1 0 332.360 2.379 10 5 EEBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000183201240 464820954 /nfs/dbraw/zinc/82/09/54/464820954.db2.gz KKFQBIASMVPOCI-NOZJJQNGSA-N 1 0 327.768 2.344 10 5 EEBERO 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ZINC000331111934 465938623 /nfs/dbraw/zinc/93/86/23/465938623.db2.gz ISUMFUKIWAMERR-ZJUUUORDSA-N 1 0 327.331 2.014 10 5 EEBERO CC[NH+]1CCN([C@@H](C)CNc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301515897 465975120 /nfs/dbraw/zinc/97/51/20/465975120.db2.gz JVNMMGUZTKRZBQ-LBPRGKRZSA-N 1 0 340.399 2.180 10 5 EEBERO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353670628 466052897 /nfs/dbraw/zinc/05/28/97/466052897.db2.gz MKHLYTTUJJRAPU-GJZGRUSLSA-N 1 0 326.418 2.393 10 5 EEBERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600146012 468474599 /nfs/dbraw/zinc/47/45/99/468474599.db2.gz TYPHNIGHHVGPKE-SNVBAGLBSA-N 1 0 348.371 2.392 10 5 EEBERO COc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367055035 466098422 /nfs/dbraw/zinc/09/84/22/466098422.db2.gz MXNOAUZJRKYKSG-KRWDZBQOSA-N 1 0 336.388 2.485 10 5 EEBERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000372284356 466276430 /nfs/dbraw/zinc/27/64/30/466276430.db2.gz ZBZMVYXIFLVXOZ-HOTGVXAUSA-N 1 0 336.388 2.180 10 5 EEBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000353978792 466296567 /nfs/dbraw/zinc/29/65/67/466296567.db2.gz NSAFJBVUXWWDLF-STQMWFEESA-N 1 0 340.445 2.471 10 5 EEBERO COc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423962097 466929845 /nfs/dbraw/zinc/92/98/45/466929845.db2.gz OQWPEFMYFQHMEO-KGLIPLIRSA-N 1 0 333.388 2.208 10 5 EEBERO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423965395 466930466 /nfs/dbraw/zinc/93/04/66/466930466.db2.gz GDLRRQYXKGXCBO-LSDHHAIUSA-N 1 0 346.431 2.022 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377799419 467142520 /nfs/dbraw/zinc/14/25/20/467142520.db2.gz UTLARKYIOVJVGV-DGCLKSJQSA-N 1 0 343.387 2.182 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377799420 467142530 /nfs/dbraw/zinc/14/25/30/467142530.db2.gz UTLARKYIOVJVGV-WCQYABFASA-N 1 0 343.387 2.182 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402139 467396367 /nfs/dbraw/zinc/39/63/67/467396367.db2.gz QHXVBBXRFNDSGR-PBHICJAKSA-N 1 0 346.431 2.306 10 5 EEBERO COC(=O)[C@@H]1CSCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414569631 467421664 /nfs/dbraw/zinc/42/16/64/467421664.db2.gz PUVICLMWBOJIBV-SDQPKGBYSA-N 1 0 336.413 2.446 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000589518140 468159169 /nfs/dbraw/zinc/15/91/69/468159169.db2.gz AABOZJUVCDRQFO-CZUORRHYSA-N 1 0 347.415 2.440 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCn2ccnc2)c1 ZINC000589516098 468159258 /nfs/dbraw/zinc/15/92/58/468159258.db2.gz AVKIVFUSKGGNNY-UHFFFAOYSA-N 1 0 332.360 2.100 10 5 EEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590443729 468258376 /nfs/dbraw/zinc/25/83/76/468258376.db2.gz GMIXLPDOCFSOMC-HLLBOEOZSA-N 1 0 331.416 2.326 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000590444367 468258794 /nfs/dbraw/zinc/25/87/94/468258794.db2.gz LBZZUUIRFMQIAJ-ABAIWWIYSA-N 1 0 335.379 2.174 10 5 EEBERO COc1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474048 468568727 /nfs/dbraw/zinc/56/87/27/468568727.db2.gz WMCIXWHFXUCLHE-HNNXBMFYSA-N 1 0 347.415 2.279 10 5 EEBERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597696541 468642066 /nfs/dbraw/zinc/64/20/66/468642066.db2.gz CDMZVMOAZKMMTA-MWLCHTKSSA-N 1 0 343.330 2.361 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000600744142 468646043 /nfs/dbraw/zinc/64/60/43/468646043.db2.gz KVQCNDWIRQQWOT-HZSPNIEDSA-N 1 0 338.429 2.394 10 5 EEBERO O=[N+]([O-])c1ccc2nccc(NCCCC[NH+]3CCOCC3)c2c1 ZINC000601104947 468742443 /nfs/dbraw/zinc/74/24/43/468742443.db2.gz NTCRZMFQBPIPBG-UHFFFAOYSA-N 1 0 330.388 2.089 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000601104531 468742485 /nfs/dbraw/zinc/74/24/85/468742485.db2.gz ABRKPBLEOLVUBF-DTWKUNHWSA-N 1 0 333.314 2.386 10 5 EEBERO CCC[N@@H+]1CC[C@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601106632 468744000 /nfs/dbraw/zinc/74/40/00/468744000.db2.gz SZJAMESRPNAYMU-SECBINFHSA-N 1 0 335.330 2.491 10 5 EEBERO CC(C)[NH2+]C1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601110498 468744444 /nfs/dbraw/zinc/74/44/44/468744444.db2.gz HLVPUYGHPYTRGD-UHFFFAOYSA-N 1 0 335.330 2.314 10 5 EEBERO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598042721 468747185 /nfs/dbraw/zinc/74/71/85/468747185.db2.gz XFXZOLXNYOKUHR-AWEZNQCLSA-N 1 0 335.404 2.468 10 5 EEBERO CC[C@H]1C[N@H+](CC)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601171218 468770122 /nfs/dbraw/zinc/77/01/22/468770122.db2.gz ILWBULGQGHJBQH-VIFPVBQESA-N 1 0 335.330 2.268 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000601189972 468775967 /nfs/dbraw/zinc/77/59/67/468775967.db2.gz YDHUWCIZZBHCQS-HNNXBMFYSA-N 1 0 345.346 2.089 10 5 EEBERO [NH3+]Cc1ccc2c(c1)N(CCOc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000601324469 468826721 /nfs/dbraw/zinc/82/67/21/468826721.db2.gz NLBATMFPUQNUTJ-UHFFFAOYSA-N 1 0 329.356 2.331 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000601433647 468871585 /nfs/dbraw/zinc/87/15/85/468871585.db2.gz GSJAYJNBEBWGOK-LLVKDONJSA-N 1 0 347.462 2.068 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595635483 468932934 /nfs/dbraw/zinc/93/29/34/468932934.db2.gz VJZWYFIKYDSKEU-LALPHHSUSA-N 1 0 326.368 2.390 10 5 EEBERO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000595717277 468967159 /nfs/dbraw/zinc/96/71/59/468967159.db2.gz HQUBNQXJGPKEBG-RDTXWAMCSA-N 1 0 348.399 2.385 10 5 EEBERO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000598967773 469071267 /nfs/dbraw/zinc/07/12/67/469071267.db2.gz VEQRDPQSLDCBKL-INIZCTEOSA-N 1 0 332.404 2.411 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935025 469090523 /nfs/dbraw/zinc/09/05/23/469090523.db2.gz QNDAGILOUMIXKE-CQSZACIVSA-N 1 0 332.404 2.150 10 5 EEBERO C[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066336 469137186 /nfs/dbraw/zinc/13/71/86/469137186.db2.gz CTRWEMOARWUJGJ-JOQOYGCGSA-N 1 0 346.383 2.046 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000599159703 469142586 /nfs/dbraw/zinc/14/25/86/469142586.db2.gz FWFVARQWMIOLRP-UHFFFAOYSA-N 1 0 345.403 2.162 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NCCCC[NH+]1CCOCC1)CCCC2 ZINC000573839113 469217087 /nfs/dbraw/zinc/21/70/87/469217087.db2.gz NRUMIFQJDBTKAQ-UHFFFAOYSA-N 1 0 334.420 2.393 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC000611395630 469240708 /nfs/dbraw/zinc/24/07/08/469240708.db2.gz QOSJWKVTEFIJRS-IAGOWNOFSA-N 1 0 330.388 2.283 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000596359324 469250454 /nfs/dbraw/zinc/25/04/54/469250454.db2.gz ACVRXGGDMSFGAL-ZDUSSCGKSA-N 1 0 346.435 2.222 10 5 EEBERO Cc1cc(N(C)CC2C[NH+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596454860 469272268 /nfs/dbraw/zinc/27/22/68/469272268.db2.gz VCGRBFNXXZZLJV-UHFFFAOYSA-N 1 0 327.388 2.358 10 5 EEBERO O=[N+]([O-])c1cccc2c(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)ccnc21 ZINC000596537054 469296459 /nfs/dbraw/zinc/29/64/59/469296459.db2.gz AHGFJNAQQXZHTA-AWEZNQCLSA-N 1 0 342.399 2.178 10 5 EEBERO COc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000619451616 469611672 /nfs/dbraw/zinc/61/16/72/469611672.db2.gz AVIRYFHQHPUVGA-UHFFFAOYSA-N 1 0 333.388 2.350 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000175167983 529070735 /nfs/dbraw/zinc/07/07/35/529070735.db2.gz AJNSYQRQMUWPKA-CYBMUJFWSA-N 1 0 332.404 2.400 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182248158 529304656 /nfs/dbraw/zinc/30/46/56/529304656.db2.gz IYGUHCJRHUMMBJ-QWHCGFSZSA-N 1 0 347.371 2.022 10 5 EEBERO CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749690308 577980034 /nfs/dbraw/zinc/98/00/34/577980034.db2.gz OEYRJCGVKZUCPV-HKUYNNGSSA-N 1 0 343.427 2.391 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000261985581 682732925 /nfs/dbraw/zinc/73/29/25/682732925.db2.gz XGAWADKQURGLNC-SWLSCSKDSA-N 1 0 346.431 2.298 10 5 EEBERO O=C1C[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCCN1 ZINC000895611486 684662737 /nfs/dbraw/zinc/66/27/37/684662737.db2.gz WMZUBHRRZMLOFB-LLVKDONJSA-N 1 0 342.193 2.116 10 5 EEBERO C[C@H]1[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000925322417 692043683 /nfs/dbraw/zinc/04/36/83/692043683.db2.gz XKWISOGMVUHIFR-WCBMZHEXSA-N 1 0 344.318 2.410 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898849373 693484704 /nfs/dbraw/zinc/48/47/04/693484704.db2.gz RYEYXQOPBKSXNJ-CABCVRRESA-N 1 0 333.388 2.206 10 5 EEBERO CCC[N@H+](CCNC(=O)C1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001691174486 1177673578 /nfs/dbraw/zinc/67/35/78/1177673578.db2.gz VYGKPOFMTBGHAS-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CN(CC[NH2+]Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001691314792 1177893636 /nfs/dbraw/zinc/89/36/36/1177893636.db2.gz HEQXQALKGWOJBQ-CHWSQXEVSA-N 1 0 346.214 2.207 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CC2(CCC2)C1 ZINC001481350178 1181093456 /nfs/dbraw/zinc/09/34/56/1181093456.db2.gz FLBXSGUHMBYCRJ-HZPDHXFCSA-N 1 0 337.464 2.449 10 5 EEBERO Cc1ccn(C)c1C(=O)NC/C=C\CNCc1csc([N+](=O)[O-])c1 ZINC001483003366 1187982323 /nfs/dbraw/zinc/98/23/23/1187982323.db2.gz OJVWDBYJPDOQHR-ARJAWSKDSA-N 1 0 348.428 2.379 10 5 EEBERO Cc1nn(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000905675975 1189860347 /nfs/dbraw/zinc/86/03/47/1189860347.db2.gz NORKXKHNOUWZCR-AEFFLSMTSA-N 1 0 342.399 2.266 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C(C)C)CC2)n1 ZINC000870955583 1200976355 /nfs/dbraw/zinc/97/63/55/1200976355.db2.gz WPZYYUQHMPJTFT-UHFFFAOYSA-N 1 0 337.424 2.052 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208894 1201465475 /nfs/dbraw/zinc/46/54/75/1201465475.db2.gz WTBRUAAPYLOXMK-ZFWWWQNUSA-N 1 0 344.415 2.017 10 5 EEBERO COCc1cc([N+](=O)[O-])ccc1N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000866257904 1201477390 /nfs/dbraw/zinc/47/73/90/1201477390.db2.gz NMSFOSIQFHFPCP-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868157129 1201754586 /nfs/dbraw/zinc/75/45/86/1201754586.db2.gz ZILDLTDCARBQLR-TZMCWYRMSA-N 1 0 334.376 2.352 10 5 EEBERO CCOCCC(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001274320461 1204995031 /nfs/dbraw/zinc/99/50/31/1204995031.db2.gz WJBVBCPVYHVTQY-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928437151 1206383460 /nfs/dbraw/zinc/38/34/60/1206383460.db2.gz HAAYUPPVTTYTEM-KCJUWKMLSA-N 1 0 331.294 2.436 10 5 EEBERO C[C@@H]1C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 ZINC000929171542 1206453474 /nfs/dbraw/zinc/45/34/74/1206453474.db2.gz KXBZADNBUUEPFV-FICVDOATSA-N 1 0 334.420 2.315 10 5 EEBERO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929429441 1206473894 /nfs/dbraw/zinc/47/38/94/1206473894.db2.gz JPCPGBTVAZZLFA-KBPBESRZSA-N 1 0 327.425 2.375 10 5 EEBERO COc1c[nH+]ccc1N1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000796568876 1221376288 /nfs/dbraw/zinc/37/62/88/1221376288.db2.gz VPMPDSMGWSLMOW-UHFFFAOYSA-N 1 0 346.362 2.460 10 5 EEBERO CNC(=O)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000796610744 1221655893 /nfs/dbraw/zinc/65/58/93/1221655893.db2.gz HAINEKMOLXRZNJ-DLBZAZTESA-N 1 0 343.383 2.095 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000902903700 1238998718 /nfs/dbraw/zinc/99/87/18/1238998718.db2.gz CGDQRCSAEQDMLR-KBPBESRZSA-N 1 0 336.417 2.296 10 5 EEBERO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850560989 1277267575 /nfs/dbraw/zinc/26/75/75/1277267575.db2.gz HEDAMXAUCUFERW-TZMCWYRMSA-N 1 0 347.419 2.118 10 5 EEBERO Cc1cccc(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001273849896 1286783635 /nfs/dbraw/zinc/78/36/35/1286783635.db2.gz BXWXATNBSGCYDR-NSCUHMNNSA-N 1 0 340.383 2.374 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000857768714 1293911503 /nfs/dbraw/zinc/91/15/03/1293911503.db2.gz WONJOCWKUILPQV-SNVBAGLBSA-N 1 0 334.710 2.367 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+](C)C)CCc2ccccc21 ZINC000857930155 1293956834 /nfs/dbraw/zinc/95/68/34/1293956834.db2.gz FQUDYQJBMBZSLW-AWEZNQCLSA-N 1 0 342.399 2.457 10 5 EEBERO C[C@H]1CC[C@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000861608921 1295476280 /nfs/dbraw/zinc/47/62/80/1295476280.db2.gz YENJIDNAPBYQNK-ONGXEEELSA-N 1 0 326.784 2.188 10 5 EEBERO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000863034006 1296089669 /nfs/dbraw/zinc/08/96/69/1296089669.db2.gz FZSCBMWQTFIYNA-CYBMUJFWSA-N 1 0 332.404 2.232 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001118290354 1306336232 /nfs/dbraw/zinc/33/62/32/1306336232.db2.gz KARLPQJRHCKOBA-XJKSGUPXSA-N 1 0 334.372 2.382 10 5 EEBERO C[NH+](C)CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001292871372 1328535686 /nfs/dbraw/zinc/53/56/86/1328535686.db2.gz MYULVYJMWPZFDN-UHFFFAOYSA-N 1 0 336.392 2.032 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000841079602 1315469818 /nfs/dbraw/zinc/46/98/18/1315469818.db2.gz MBFKYXPTMBKWGH-OAHLLOKOSA-N 1 0 340.374 2.150 10 5 EEBERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001293328220 1328673112 /nfs/dbraw/zinc/67/31/12/1328673112.db2.gz ORHPDYKDAVQSCC-LLVKDONJSA-N 1 0 340.811 2.435 10 5 EEBERO C[NH+](C)CC[C@@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(C)(C)C ZINC001293338973 1328678214 /nfs/dbraw/zinc/67/82/14/1328678214.db2.gz DJRFFGFMKUHPSQ-MRVPVSSYSA-N 1 0 331.804 2.068 10 5 EEBERO Cc1ccc(CCC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cc1 ZINC001326821219 1334164592 /nfs/dbraw/zinc/16/45/92/1334164592.db2.gz AMUAKGVTWUKTPI-IAGOWNOFSA-N 1 0 345.443 2.221 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001472449548 1338438400 /nfs/dbraw/zinc/43/84/00/1338438400.db2.gz WYDQWURSRTWICA-LBPRGKRZSA-N 1 0 328.372 2.309 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000848024287 1338455512 /nfs/dbraw/zinc/45/55/12/1338455512.db2.gz GLUGFYTYTFNYKP-NSHDSACASA-N 1 0 343.811 2.071 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000849228730 1339150323 /nfs/dbraw/zinc/15/03/23/1339150323.db2.gz OVKYXLPQRANNFA-SNVBAGLBSA-N 1 0 326.316 2.112 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc2c[nH+]cn2c1 ZINC001596692638 1349910385 /nfs/dbraw/zinc/91/03/85/1349910385.db2.gz VZRVVEDVJHEDIJ-UHFFFAOYSA-N 1 0 340.339 2.328 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[NH2+]2)c1 ZINC001643331347 1352746124 /nfs/dbraw/zinc/74/61/24/1352746124.db2.gz UDTUOHJBFVUELW-CQSZACIVSA-N 1 0 328.372 2.019 10 5 EEBERO C[C@@H](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)n1ccnc1 ZINC001648530569 1353433076 /nfs/dbraw/zinc/43/30/76/1353433076.db2.gz BTHCRLMKZWZJMN-JTQLQIEISA-N 1 0 341.331 2.166 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cscn1 ZINC001668745240 1355996366 /nfs/dbraw/zinc/99/63/66/1355996366.db2.gz CKTVGRIZVBEFCZ-ARJAWSKDSA-N 1 0 332.385 2.127 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc(C(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668822023 1356013918 /nfs/dbraw/zinc/01/39/18/1356013918.db2.gz VFGYSADPMGSSEF-GEYXIOIISA-N 1 0 339.342 2.051 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1n[nH]cc1F ZINC001673466951 1356692952 /nfs/dbraw/zinc/69/29/52/1356692952.db2.gz MCXHFJOQKWMIMN-UHFFFAOYSA-N 1 0 349.366 2.051 10 5 EEBERO Cc1ncccc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001699661742 1405433708 /nfs/dbraw/zinc/43/37/08/1405433708.db2.gz UPYUWTUTMNCCOC-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000846698528 790433245 /nfs/dbraw/zinc/43/32/45/790433245.db2.gz INESTTPEGLDENM-UWVGGRQHSA-N 1 0 347.824 2.057 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906585422 783991316 /nfs/dbraw/zinc/99/13/16/783991316.db2.gz SIZYQDVLCJKSHX-GFCCVEGCSA-N 1 0 325.796 2.391 10 5 EEBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C12CC[NH+](CC1)C2 ZINC000908075454 785065677 /nfs/dbraw/zinc/06/56/77/785065677.db2.gz ITLSDCQYJUYPSC-UHFFFAOYSA-N 1 0 340.177 2.392 10 5 EEBERO Cn1nc2c(c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000819325504 785508199 /nfs/dbraw/zinc/50/81/99/785508199.db2.gz FKSQIXNDSKMFKH-QGZVFWFLSA-N 1 0 330.388 2.030 10 5 EEBERO Cn1nc2c(c1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000819325441 785508233 /nfs/dbraw/zinc/50/82/33/785508233.db2.gz COHCZEKGKDBXJY-KRWDZBQOSA-N 1 0 330.388 2.030 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536334 789737460 /nfs/dbraw/zinc/73/74/60/789737460.db2.gz KGYZHSRCHQRURN-GUYCJALGSA-N 1 0 332.404 2.140 10 5 EEBERO C[NH+](C)CC(C)(C)CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000929460415 792327650 /nfs/dbraw/zinc/32/76/50/792327650.db2.gz ZUYWHDVRFAWCJX-UHFFFAOYSA-N 1 0 325.384 2.371 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC001176787739 798563147 /nfs/dbraw/zinc/56/31/47/798563147.db2.gz JXZOSZBMWDPFDX-UHFFFAOYSA-N 1 0 326.397 2.153 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC001566452951 1125612469 /nfs/dbraw/zinc/61/24/69/1125612469.db2.gz AWVSXTPLLNCDLF-HUUCEWRRSA-N 1 0 331.372 2.036 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC001545905269 1089199793 /nfs/dbraw/zinc/19/97/93/1089199793.db2.gz VVCGHZFDATWWTN-SUMWQHHRSA-N 1 0 344.415 2.387 10 5 EEBERO CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001460543292 1110307553 /nfs/dbraw/zinc/30/75/53/1110307553.db2.gz VADQURDJZGJDQS-ZDUSSCGKSA-N 1 0 344.371 2.484 10 5 EEBERO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001466488407 1110436797 /nfs/dbraw/zinc/43/67/97/1110436797.db2.gz GUEMCDHZOSIKRV-QWRGUYRKSA-N 1 0 325.796 2.342 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC1 ZINC001467671402 1110461383 /nfs/dbraw/zinc/46/13/83/1110461383.db2.gz FPWLYQDKUKBCJZ-UHFFFAOYSA-N 1 0 338.795 2.212 10 5 EEBERO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001473602456 1110577735 /nfs/dbraw/zinc/57/77/35/1110577735.db2.gz RCCQHRXOFJHNCL-WDEREUQCSA-N 1 0 330.344 2.347 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@@H](C)C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001473816912 1110581558 /nfs/dbraw/zinc/58/15/58/1110581558.db2.gz IFVVHLAARVJJLP-NSHDSACASA-N 1 0 339.392 2.335 10 5 EEBERO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001502192855 1113631058 /nfs/dbraw/zinc/63/10/58/1113631058.db2.gz HMVWQQHRYNMWNT-GDBMZVCRSA-N 1 0 337.395 2.080 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001520928023 1119202679 /nfs/dbraw/zinc/20/26/79/1119202679.db2.gz PAJUPCBPXYESDR-IMJJTQAJSA-N 1 0 345.399 2.014 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC001528157900 1120957330 /nfs/dbraw/zinc/95/73/30/1120957330.db2.gz ULMKNVKRNAIYFZ-YDHLFZDLSA-N 1 0 346.431 2.469 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC001540644151 1124088848 /nfs/dbraw/zinc/08/88/48/1124088848.db2.gz UYQCLIGRIRQLNL-SNVBAGLBSA-N 1 0 343.815 2.212 10 5 EEBERO Cc1c[nH]cc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001568503646 1124559796 /nfs/dbraw/zinc/55/97/96/1124559796.db2.gz GMTOXYUVLCLRJM-UHFFFAOYSA-N 1 0 330.388 2.435 10 5 EEBERO CC(C)COC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000054325157 214231869 /nfs/dbraw/zinc/23/18/69/214231869.db2.gz OYJLFGJTDRLXRM-UHFFFAOYSA-N 1 0 335.404 2.331 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246982512 243345417 /nfs/dbraw/zinc/34/54/17/243345417.db2.gz SJPCSEIDKUVXKD-UONOGXRCSA-N 1 0 334.420 2.256 10 5 EEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079757606 217252551 /nfs/dbraw/zinc/25/25/51/217252551.db2.gz CEUBGUWHVAAGCX-AWEZNQCLSA-N 1 0 336.436 2.124 10 5 EEBERO CCCc1n[nH]c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000080714732 217327168 /nfs/dbraw/zinc/32/71/68/217327168.db2.gz ZBJLHNLUXPCDMN-YOGCLGLASA-N 1 0 335.408 2.016 10 5 EEBERO C[NH+](C)CC1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000119851620 292248976 /nfs/dbraw/zinc/24/89/76/292248976.db2.gz TZXBFWPPEFNHBA-UHFFFAOYSA-N 1 0 338.383 2.166 10 5 EEBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248746669 160359655 /nfs/dbraw/zinc/35/96/55/160359655.db2.gz FNIRSCJSEWVHKC-RDJZCZTQSA-N 1 0 331.416 2.470 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@H]2[NH2+]CCc3ccccc32)c2nonc21 ZINC000261762414 160414560 /nfs/dbraw/zinc/41/45/60/160414560.db2.gz VXDOPOVECRPFMT-CYBMUJFWSA-N 1 0 325.328 2.430 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000248327832 160341850 /nfs/dbraw/zinc/34/18/50/160341850.db2.gz CPWFJOIIKOFMDW-CABCVRRESA-N 1 0 346.431 2.400 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000343673207 161157363 /nfs/dbraw/zinc/15/73/63/161157363.db2.gz QJAQBOSIJIHNBM-MNOVXSKESA-N 1 0 341.358 2.357 10 5 EEBERO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)ccc1[N+](=O)[O-] ZINC000344061298 161194815 /nfs/dbraw/zinc/19/48/15/161194815.db2.gz MRMJNCVCAWEINX-ARFHVFGLSA-N 1 0 347.415 2.340 10 5 EEBERO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000344407101 161224231 /nfs/dbraw/zinc/22/42/31/161224231.db2.gz SJOCJRLGLHRSPP-AWEZNQCLSA-N 1 0 337.807 2.486 10 5 EEBERO C[NH+](C)CCOc1ccc(CCNc2ccncc2[N+](=O)[O-])cc1 ZINC000352646608 162225800 /nfs/dbraw/zinc/22/58/00/162225800.db2.gz QJEVCEXVMGXXBR-UHFFFAOYSA-N 1 0 330.388 2.007 10 5 EEBERO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000277427366 269154726 /nfs/dbraw/zinc/15/47/26/269154726.db2.gz KKAUMAXZFJCYLV-MWLCHTKSSA-N 1 0 327.768 2.201 10 5 EEBERO COCC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000112080377 274031191 /nfs/dbraw/zinc/03/11/91/274031191.db2.gz SBUUTOPVOATNEJ-ZDUSSCGKSA-N 1 0 330.388 2.300 10 5 EEBERO COc1cc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000121922116 274097663 /nfs/dbraw/zinc/09/76/63/274097663.db2.gz JGTLQHVZWFCJGW-NSHDSACASA-N 1 0 327.356 2.001 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000274131991 274186894 /nfs/dbraw/zinc/18/68/94/274186894.db2.gz WKDKBRWOEWRKIQ-VHSXEESVSA-N 1 0 333.348 2.004 10 5 EEBERO Cn1cc(C[NH2+]CCc2cn[nH]c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289763653 275146579 /nfs/dbraw/zinc/14/65/79/275146579.db2.gz IHFCJJZWGQSEFM-UHFFFAOYSA-N 1 0 326.360 2.051 10 5 EEBERO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000424317490 277008135 /nfs/dbraw/zinc/00/81/35/277008135.db2.gz OHXZFNBYOBTVMC-YUELXQCFSA-N 1 0 345.399 2.043 10 5 EEBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415767686 313182107 /nfs/dbraw/zinc/18/21/07/313182107.db2.gz UKZLSXUYHSNJOD-GFCCVEGCSA-N 1 0 328.319 2.276 10 5 EEBERO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000547437951 318288651 /nfs/dbraw/zinc/28/86/51/318288651.db2.gz JOKIGFSVHLGWJT-WBMJQRKESA-N 1 0 328.372 2.411 10 5 EEBERO COC1(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000580239500 324021130 /nfs/dbraw/zinc/02/11/30/324021130.db2.gz UHOZLJOTKNEDIE-UHFFFAOYSA-N 1 0 333.388 2.404 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000347647318 465146966 /nfs/dbraw/zinc/14/69/66/465146966.db2.gz HYGQOIFDSMTBTL-AWEZNQCLSA-N 1 0 335.404 2.342 10 5 EEBERO Cn1cc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000590599179 468282807 /nfs/dbraw/zinc/28/28/07/468282807.db2.gz FADFCPQDMQBRRA-QGZVFWFLSA-N 1 0 344.415 2.364 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063466808 462647925 /nfs/dbraw/zinc/64/79/25/462647925.db2.gz YUVXIVPYCRMRMH-CYBMUJFWSA-N 1 0 345.403 2.241 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153616781 462669866 /nfs/dbraw/zinc/66/98/66/462669866.db2.gz JZJGRQUYPDPYAV-DYVFJYSZSA-N 1 0 344.415 2.387 10 5 EEBERO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCCO1 ZINC000117338340 462800106 /nfs/dbraw/zinc/80/01/06/462800106.db2.gz MEQKVYHDWMWNII-ZDUSSCGKSA-N 1 0 335.360 2.004 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000590767523 468334373 /nfs/dbraw/zinc/33/43/73/468334373.db2.gz OVGDAHQYADHSND-RNCFNFMXSA-N 1 0 343.305 2.390 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000263907583 464236129 /nfs/dbraw/zinc/23/61/29/464236129.db2.gz HWZOAVSEYGQKMF-OAHLLOKOSA-N 1 0 346.431 2.361 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000281252846 464388366 /nfs/dbraw/zinc/38/83/66/464388366.db2.gz UXSGHLMSVXYORT-OLZOCXBDSA-N 1 0 348.403 2.228 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000285153401 464469396 /nfs/dbraw/zinc/46/93/96/464469396.db2.gz UBIUHLDKBFZZDD-HOTGVXAUSA-N 1 0 328.372 2.052 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000285396584 464549713 /nfs/dbraw/zinc/54/97/13/464549713.db2.gz DRSZJSWLDXBALJ-AWEZNQCLSA-N 1 0 347.337 2.256 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000599918198 468413352 /nfs/dbraw/zinc/41/33/52/468413352.db2.gz WSHIKPXZGCOWNW-ZIAGYGMSSA-N 1 0 349.435 2.145 10 5 EEBERO COC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182409151 464649064 /nfs/dbraw/zinc/64/90/64/464649064.db2.gz HSFQDYGYMLGQQY-HOTGVXAUSA-N 1 0 346.383 2.312 10 5 EEBERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000176895781 464877800 /nfs/dbraw/zinc/87/78/00/464877800.db2.gz JJMMLYOXQOBRCT-ZDUSSCGKSA-N 1 0 348.403 2.163 10 5 EEBERO Cc1cc(N2CC[NH+](CCCO)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359878059 465501227 /nfs/dbraw/zinc/50/12/27/465501227.db2.gz NAZRHOMGWQWXIL-UHFFFAOYSA-N 1 0 347.337 2.426 10 5 EEBERO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340295369 465962197 /nfs/dbraw/zinc/96/21/97/465962197.db2.gz MCDHHXBTTHOOSK-INIZCTEOSA-N 1 0 332.404 2.015 10 5 EEBERO CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349349087 466077383 /nfs/dbraw/zinc/07/73/83/466077383.db2.gz QUVNXEUDCDTOKP-OAHLLOKOSA-N 1 0 343.387 2.313 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000597210057 468480703 /nfs/dbraw/zinc/48/07/03/468480703.db2.gz TZMXEJIZSOYJDP-UMVBOHGHSA-N 1 0 340.445 2.471 10 5 EEBERO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCNC3=O)o2)c([N+](=O)[O-])c1 ZINC000338707869 466325677 /nfs/dbraw/zinc/32/56/77/466325677.db2.gz MGMYGEJMSPGIGX-AWEZNQCLSA-N 1 0 345.355 2.232 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000358202507 466537629 /nfs/dbraw/zinc/53/76/29/466537629.db2.gz WMAKJJMVLBFWRW-UHFFFAOYSA-N 1 0 332.404 2.089 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368037602 466570009 /nfs/dbraw/zinc/57/00/09/466570009.db2.gz ACOYEVLJXTUUAT-AWEZNQCLSA-N 1 0 327.388 2.655 10 5 EEBERO CCC[NH+]1CCC(CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347433881 466630030 /nfs/dbraw/zinc/63/00/30/466630030.db2.gz RHMSJMGQBFOMBR-UHFFFAOYSA-N 1 0 329.404 3.072 10 5 EEBERO COc1ccc(NC(=O)CC[N@H+](C[C@H](C)O)C(C)C)c([N+](=O)[O-])c1 ZINC000411277918 466797959 /nfs/dbraw/zinc/79/79/59/466797959.db2.gz NXMHBGMZQLVTEG-LBPRGKRZSA-N 1 0 339.392 2.023 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417728334 466918832 /nfs/dbraw/zinc/91/88/32/466918832.db2.gz OXZXJLLFCSHSPO-IYBDPMFKSA-N 1 0 346.431 2.453 10 5 EEBERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000404601574 467476707 /nfs/dbraw/zinc/47/67/07/467476707.db2.gz IWXSEJOLLDTSSF-UHFFFAOYSA-N 1 0 349.412 2.101 10 5 EEBERO CC(C)COC[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000567707315 468190704 /nfs/dbraw/zinc/19/07/04/468190704.db2.gz QFNMAJNPTDGUHJ-OAHLLOKOSA-N 1 0 335.404 2.242 10 5 EEBERO CC1(C)CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000589866798 468191257 /nfs/dbraw/zinc/19/12/57/468191257.db2.gz KLWRNJVEKCBWMY-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO CC(=O)c1cc(N2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000591991252 468592072 /nfs/dbraw/zinc/59/20/72/468592072.db2.gz IEFSTLJULUOQBB-UHFFFAOYSA-N 1 0 333.388 2.098 10 5 EEBERO [NH3+]C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)(F)F ZINC000594523765 468615298 /nfs/dbraw/zinc/61/52/98/468615298.db2.gz CUJFWTUUBINLOX-LBPRGKRZSA-N 1 0 346.309 2.158 10 5 EEBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000592184305 468647544 /nfs/dbraw/zinc/64/75/44/468647544.db2.gz IWSAIRKKENVAKK-CYBMUJFWSA-N 1 0 331.294 2.095 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597856854 468695476 /nfs/dbraw/zinc/69/54/76/468695476.db2.gz BISSMKMDEPFXBM-NSHDSACASA-N 1 0 331.376 2.074 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592522695 468719929 /nfs/dbraw/zinc/71/99/29/468719929.db2.gz FIFANBAWNCHENX-BAAYTWLHSA-N 1 0 346.431 2.050 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCCN1CCO ZINC000595042556 468748326 /nfs/dbraw/zinc/74/83/26/468748326.db2.gz SVGYLBYOJYELGW-DZGCQCFKSA-N 1 0 337.420 2.101 10 5 EEBERO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000595062319 468750529 /nfs/dbraw/zinc/75/05/29/468750529.db2.gz WCPDOFAZURTMTB-CQSZACIVSA-N 1 0 338.429 2.387 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054047 468853780 /nfs/dbraw/zinc/85/37/80/468853780.db2.gz FBJRVTWETILKTP-UHFFFAOYSA-N 1 0 349.284 2.123 10 5 EEBERO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601403688 468860144 /nfs/dbraw/zinc/86/01/44/468860144.db2.gz NTGLNVFIVUXKSL-NSHDSACASA-N 1 0 347.462 2.070 10 5 EEBERO Cc1noc(CN2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000595515377 468884758 /nfs/dbraw/zinc/88/47/58/468884758.db2.gz CZBFPEUYSMUJLD-XJKSGUPXSA-N 1 0 335.335 2.191 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000598540382 468906321 /nfs/dbraw/zinc/90/63/21/468906321.db2.gz OJYOGUHJTYMVOQ-CQSZACIVSA-N 1 0 335.404 2.086 10 5 EEBERO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000598644883 468942545 /nfs/dbraw/zinc/94/25/45/468942545.db2.gz TYLGTBLUKBWSIB-KRWDZBQOSA-N 1 0 346.408 2.397 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595660294 468944021 /nfs/dbraw/zinc/94/40/21/468944021.db2.gz DQPQEJREXHEHAK-CYBMUJFWSA-N 1 0 349.435 2.179 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000593460369 468990206 /nfs/dbraw/zinc/99/02/06/468990206.db2.gz AKLPGTNVMCBPOV-ROUUACIJSA-N 1 0 342.399 2.178 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595761469 468994390 /nfs/dbraw/zinc/99/43/90/468994390.db2.gz WYQPWWHEEXWBTF-CXAGYDPISA-N 1 0 333.388 2.200 10 5 EEBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000601744012 469001148 /nfs/dbraw/zinc/00/11/48/469001148.db2.gz IOSOQVZQRNRGAC-UHFFFAOYSA-N 1 0 332.404 2.470 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864820 469052541 /nfs/dbraw/zinc/05/25/41/469052541.db2.gz DFSZNYGFTZEOEN-QGZVFWFLSA-N 1 0 349.431 2.025 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935802 469090557 /nfs/dbraw/zinc/09/05/57/469090557.db2.gz VOURJWNWPBGWTH-OAHLLOKOSA-N 1 0 347.415 2.212 10 5 EEBERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595954021 469095950 /nfs/dbraw/zinc/09/59/50/469095950.db2.gz OSDGJIATAUIVJS-KRWDZBQOSA-N 1 0 338.367 2.109 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595961045 469098205 /nfs/dbraw/zinc/09/82/05/469098205.db2.gz IIGFKFKXFIEOCS-OAHLLOKOSA-N 1 0 346.431 2.245 10 5 EEBERO COC(=O)Cc1ccnc(N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000596228129 469214185 /nfs/dbraw/zinc/21/41/85/469214185.db2.gz WSXPBEBIKIPQMS-UHFFFAOYSA-N 1 0 329.356 2.384 10 5 EEBERO COC(=O)C(C)(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000611404609 469241931 /nfs/dbraw/zinc/24/19/31/469241931.db2.gz ICFCIPZVEFDZFH-OAHLLOKOSA-N 1 0 346.387 2.321 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000596497321 469284126 /nfs/dbraw/zinc/28/41/26/469284126.db2.gz OSAJUGWPEJWRCS-OAHLLOKOSA-N 1 0 336.392 2.169 10 5 EEBERO CC(C)(C)c1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599603191 469305928 /nfs/dbraw/zinc/30/59/28/469305928.db2.gz BLGPMMWACIIASU-GFCCVEGCSA-N 1 0 336.392 2.002 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000610105299 469981286 /nfs/dbraw/zinc/98/12/86/469981286.db2.gz QMCWHGYYXYVYLE-AWEZNQCLSA-N 1 0 349.435 2.099 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000418994881 533978503 /nfs/dbraw/zinc/97/85/03/533978503.db2.gz CCLWBFSAFOMOIE-QWRGUYRKSA-N 1 0 345.346 2.088 10 5 EEBERO CCOC(=O)c1ccnc(N(C)C[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000175166847 528272201 /nfs/dbraw/zinc/27/22/01/528272201.db2.gz KUIYTKICHLJQBG-LBPRGKRZSA-N 1 0 336.392 2.087 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000174180210 528965753 /nfs/dbraw/zinc/96/57/53/528965753.db2.gz AVLPCCDVCKWDGL-UHFFFAOYSA-N 1 0 334.420 2.337 10 5 EEBERO COCC(C)(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266607664 1176955057 /nfs/dbraw/zinc/95/50/57/1176955057.db2.gz GAJIVAFPITYVML-SHTZXODSSA-N 1 0 349.431 2.394 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C2CC2)on1 ZINC001266791975 1177434385 /nfs/dbraw/zinc/43/43/85/1177434385.db2.gz ZLMFVHBLXXRAEX-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO CC(C)n1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001267453653 1179033754 /nfs/dbraw/zinc/03/37/54/1179033754.db2.gz NFYMISPHIOHHNM-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001482218954 1184272876 /nfs/dbraw/zinc/27/28/76/1184272876.db2.gz XJYMRWDISKHVBW-ZIAGYGMSSA-N 1 0 325.453 2.497 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCn1cccc1 ZINC001691528301 1186523644 /nfs/dbraw/zinc/52/36/44/1186523644.db2.gz JVHCAIDRXFROQT-UHFFFAOYSA-N 1 0 330.388 2.035 10 5 EEBERO Cc1ccn(C)c1C(=O)NC/C=C/CNCc1csc([N+](=O)[O-])c1 ZINC001483003385 1187982078 /nfs/dbraw/zinc/98/20/78/1187982078.db2.gz OJVWDBYJPDOQHR-ONEGZZNKSA-N 1 0 348.428 2.379 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)COc1ccccc1 ZINC001691570267 1188271298 /nfs/dbraw/zinc/27/12/98/1188271298.db2.gz YWPYCNVCLCSQEJ-UHFFFAOYSA-N 1 0 349.412 2.283 10 5 EEBERO O=C(CC1(O)CCC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001484633482 1191445761 /nfs/dbraw/zinc/44/57/61/1191445761.db2.gz OVVKCKRELKJLNS-UHFFFAOYSA-N 1 0 347.415 2.028 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000877781068 1200097417 /nfs/dbraw/zinc/09/74/17/1200097417.db2.gz PTQNDYSJRFLLLW-RAXLEYEMSA-N 1 0 342.403 2.401 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000866386649 1201505121 /nfs/dbraw/zinc/50/51/21/1201505121.db2.gz DFDSWMNAFVPPIT-IINYFYTJSA-N 1 0 337.351 2.238 10 5 EEBERO CN(C(=O)CN1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866705091 1201585591 /nfs/dbraw/zinc/58/55/91/1201585591.db2.gz SNMYXDSORMIXSI-GOSISDBHSA-N 1 0 348.447 2.255 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887924607 1204508941 /nfs/dbraw/zinc/50/89/41/1204508941.db2.gz SEBIIYJGTBGBBV-VUNQQRPYSA-N 1 0 329.400 2.108 10 5 EEBERO C[C@H]1[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928448782 1206385728 /nfs/dbraw/zinc/38/57/28/1206385728.db2.gz OQBNEEVCBRMRDQ-CMPLNLGQSA-N 1 0 341.795 2.226 10 5 EEBERO C[N@@H+]1CC[C@@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000930364915 1206552436 /nfs/dbraw/zinc/55/24/36/1206552436.db2.gz PYXZZDLQWDAXLW-NSHDSACASA-N 1 0 325.796 2.249 10 5 EEBERO Cc1cccc([C@@H](O)C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000931468644 1207388364 /nfs/dbraw/zinc/38/83/64/1207388364.db2.gz AIENRWBIWWTWJO-ZWKOTPCHSA-N 1 0 330.384 2.434 10 5 EEBERO O=C(CN[C@H]1CC[NH2+]C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000903465030 1240551034 /nfs/dbraw/zinc/55/10/34/1240551034.db2.gz DAZUQPMKSYCJSE-ZDUSSCGKSA-N 1 0 338.795 2.061 10 5 EEBERO [NH3+][C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C(F)(F)F ZINC000903517799 1240763721 /nfs/dbraw/zinc/76/37/21/1240763721.db2.gz MFMILDXFZZBRHY-RKDXNWHRSA-N 1 0 330.266 2.057 10 5 EEBERO O=C(NCCC[C@@H]1CCC[NH2+]1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764689 1293910874 /nfs/dbraw/zinc/91/08/74/1293910874.db2.gz XIWTVVXABKEGCK-NSHDSACASA-N 1 0 343.330 2.215 10 5 EEBERO CC[C@@H](C)[N@H+](C)CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863503868 1296312852 /nfs/dbraw/zinc/31/28/52/1296312852.db2.gz SPUXXMBRFLMSPU-SJKOYZFVSA-N 1 0 348.403 2.092 10 5 EEBERO O=C(NCC12CCC[NH+](CCC1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001150044320 1316136629 /nfs/dbraw/zinc/13/66/29/1316136629.db2.gz PSCDOTGLFNRIFN-UHFFFAOYSA-N 1 0 348.359 2.109 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3ncc([N+](=O)[O-])s3)CC[NH2+]2)c1 ZINC001164413058 1321374458 /nfs/dbraw/zinc/37/44/58/1321374458.db2.gz XVESYUYIMRQOBC-GFCCVEGCSA-N 1 0 334.401 2.081 10 5 EEBERO C[C@H](NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC001263763011 1322511671 /nfs/dbraw/zinc/51/16/71/1322511671.db2.gz UZRDAYZOJHHPEH-RUAUBTSSSA-N 1 0 332.404 2.295 10 5 EEBERO CCC1([NH2+]Cc2ccccc2F)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281003994 1324709832 /nfs/dbraw/zinc/70/98/32/1324709832.db2.gz FNMMHLDADDLZDT-GDBMZVCRSA-N 1 0 349.406 2.352 10 5 EEBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001302593316 1331330503 /nfs/dbraw/zinc/33/05/03/1331330503.db2.gz DSMIKEUMLUIBQR-CQSZACIVSA-N 1 0 348.403 2.222 10 5 EEBERO CC(C)(O)CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001319352544 1332689864 /nfs/dbraw/zinc/68/98/64/1332689864.db2.gz WZOBDTQNTOHOFP-UHFFFAOYSA-N 1 0 349.431 2.274 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]c(C)nc1C ZINC001320845901 1332964319 /nfs/dbraw/zinc/96/43/19/1332964319.db2.gz OINFDTCVQOIXMT-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001321052157 1333006157 /nfs/dbraw/zinc/00/61/57/1333006157.db2.gz QPOYPIBZPYKERE-GWOVIKRFSA-N 1 0 331.416 2.039 10 5 EEBERO O=C(NCC1([NH2+]C/C=C/c2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001323445132 1333465774 /nfs/dbraw/zinc/46/57/74/1333465774.db2.gz YJAXFHZUUOUDAQ-RIVGAVQESA-N 1 0 349.818 2.257 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCCC2 ZINC001328119495 1334400374 /nfs/dbraw/zinc/40/03/74/1334400374.db2.gz MWGDMHNAAMMTAU-UONOGXRCSA-N 1 0 332.404 2.144 10 5 EEBERO COc1cccc(C[C@H]2CN(c3ccc([N+](=O)[O-])c(C)n3)CC[NH2+]2)c1 ZINC001613092306 1352313371 /nfs/dbraw/zinc/31/33/71/1352313371.db2.gz DWGBJGIVUHPYPF-HNNXBMFYSA-N 1 0 342.399 2.328 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncccc1F ZINC001668597200 1355970106 /nfs/dbraw/zinc/97/01/06/1355970106.db2.gz VUJYTANTCYLVFC-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO C[NH+](C)CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001637880879 1352681781 /nfs/dbraw/zinc/68/17/81/1352681781.db2.gz YZERKCWVVINISG-RRQGHBQHSA-N 1 0 331.416 2.499 10 5 EEBERO COc1cc(NCC[NH+]2CCC(OC)CC2)c([N+](=O)[O-])cc1OC ZINC001655206415 1354167579 /nfs/dbraw/zinc/16/75/79/1354167579.db2.gz WEIUXOWDJSLIIH-UHFFFAOYSA-N 1 0 339.392 2.135 10 5 EEBERO O=C(C[NH2+]C1([C@@H]2CCCO2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001655887035 1354188973 /nfs/dbraw/zinc/18/89/73/1354188973.db2.gz WPZWKZZKFAHUQN-INIZCTEOSA-N 1 0 345.399 2.175 10 5 EEBERO CC(F)(F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001656179249 1354211172 /nfs/dbraw/zinc/21/11/72/1354211172.db2.gz QGHKLTZHGYOHBQ-HAQNSBGRSA-N 1 0 327.331 2.234 10 5 EEBERO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001657888710 1354349047 /nfs/dbraw/zinc/34/90/47/1354349047.db2.gz KYFPBWFTYCFBHJ-CYBMUJFWSA-N 1 0 332.360 2.380 10 5 EEBERO CCCOCC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001660764530 1354534427 /nfs/dbraw/zinc/53/44/27/1354534427.db2.gz CFZBOINBCASZCV-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO CCc1nc[nH]c1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001699549735 1405385405 /nfs/dbraw/zinc/38/54/05/1405385405.db2.gz RNQBJYHSBOEHBY-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906675814 784071989 /nfs/dbraw/zinc/07/19/89/784071989.db2.gz GKSXCTVHXSRXAE-CYBMUJFWSA-N 1 0 325.796 2.391 10 5 EEBERO CC(C)c1ccc(C[NH2+][C@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000922995352 788521190 /nfs/dbraw/zinc/52/11/90/788521190.db2.gz BQNCNGDRJNCVNE-ZDUSSCGKSA-N 1 0 329.404 2.494 10 5 EEBERO Cc1c(CC(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000913283065 788759854 /nfs/dbraw/zinc/75/98/54/788759854.db2.gz FHWGIYNSTXKDBZ-QZTJIDSGSA-N 1 0 331.416 2.246 10 5 EEBERO [NH3+]C[C@H]1CCc2ccccc2N1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392803 789506718 /nfs/dbraw/zinc/50/67/18/789506718.db2.gz VLEJEESDDLKINO-SJLPKXTDSA-N 1 0 327.384 2.408 10 5 EEBERO [NH3+]C[C@H]1Cc2ccccc2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923415059 789521821 /nfs/dbraw/zinc/52/18/21/789521821.db2.gz PPERMXBXZQYFON-FZKQIMNGSA-N 1 0 327.384 2.266 10 5 EEBERO CCON(C)C(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000846064939 790050583 /nfs/dbraw/zinc/05/05/83/790050583.db2.gz OFZIWTDUMUCZLI-UKRRQHHQSA-N 1 0 335.404 2.306 10 5 EEBERO O=C(NCc1ccc(C[NH2+]CCC(F)(F)F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001495489712 1101198983 /nfs/dbraw/zinc/19/89/83/1101198983.db2.gz UAHTZJBNZITWLR-CHWSQXEVSA-N 1 0 345.321 2.010 10 5 EEBERO C[C@@H](CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC001479447063 1110696890 /nfs/dbraw/zinc/69/68/90/1110696890.db2.gz OJXNEBZBETUYMD-ZENOOKHLSA-N 1 0 332.404 2.044 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(F)(F)F ZINC001569185903 1125152455 /nfs/dbraw/zinc/15/24/55/1125152455.db2.gz MPDJVWJOTMSPFP-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@]4(CC[NH2+]C4)C3)n2)c1 ZINC000420355155 239774579 /nfs/dbraw/zinc/77/45/79/239774579.db2.gz CBMFVMUIOXBLBJ-KRWDZBQOSA-N 1 0 343.387 2.220 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+]CCCc2nnc[nH]2)ccc1Br ZINC000080571873 217314969 /nfs/dbraw/zinc/31/49/69/217314969.db2.gz CLEPXFDAZRNYSI-UHFFFAOYSA-N 1 0 340.181 2.198 10 5 EEBERO CC[NH+](CC)Cc1ccccc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270784191 256171809 /nfs/dbraw/zinc/17/18/09/256171809.db2.gz UVRRMSHSTCLICJ-UHFFFAOYSA-N 1 0 345.403 2.100 10 5 EEBERO CCOCC[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000105835577 159308312 /nfs/dbraw/zinc/30/83/12/159308312.db2.gz BFEYGOHGCDLMNM-HNNXBMFYSA-N 1 0 337.420 2.016 10 5 EEBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188857968 160130865 /nfs/dbraw/zinc/13/08/65/160130865.db2.gz CINVEZBXPKMBQO-UHFFFAOYSA-N 1 0 344.415 2.115 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000354542562 162905229 /nfs/dbraw/zinc/90/52/29/162905229.db2.gz BKMLOOHNPFQNOU-UHFFFAOYSA-N 1 0 345.403 2.323 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000368112977 166052928 /nfs/dbraw/zinc/05/29/28/166052928.db2.gz NSLIBZLEBSQKPD-VIFPVBQESA-N 1 0 331.332 2.006 10 5 EEBERO COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000277876335 269193430 /nfs/dbraw/zinc/19/34/30/269193430.db2.gz CCEZZKLIWIZVDM-LBPRGKRZSA-N 1 0 341.795 2.007 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000078523948 273747485 /nfs/dbraw/zinc/74/74/85/273747485.db2.gz ZABCMDIJJBTZKJ-CYBMUJFWSA-N 1 0 330.388 2.036 10 5 EEBERO Cn1ncc(Br)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000278573700 274375520 /nfs/dbraw/zinc/37/55/20/274375520.db2.gz XRAHCJNUBQLHTP-UHFFFAOYSA-N 1 0 339.193 2.423 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000286522190 274880269 /nfs/dbraw/zinc/88/02/69/274880269.db2.gz BZFMZFSOIXMRRZ-ZDUSSCGKSA-N 1 0 348.403 2.149 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000291874727 275348868 /nfs/dbraw/zinc/34/88/68/275348868.db2.gz INXZVOMRDQOFFN-AWEZNQCLSA-N 1 0 342.399 2.302 10 5 EEBERO CC1(C)CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000261923986 278322708 /nfs/dbraw/zinc/32/27/08/278322708.db2.gz VLUHWFFWGNIMGI-MRXNPFEDSA-N 1 0 346.431 2.394 10 5 EEBERO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C2)C1 ZINC000293972166 293340617 /nfs/dbraw/zinc/34/06/17/293340617.db2.gz UTNYIOYNODUOIV-KRWDZBQOSA-N 1 0 328.372 2.244 10 5 EEBERO CC[NH2+]CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415704639 313169533 /nfs/dbraw/zinc/16/95/33/313169533.db2.gz SNNFANBFTFUZMM-UHFFFAOYSA-N 1 0 331.170 2.088 10 5 EEBERO CC[N@H+](CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(C)C ZINC000416476480 313232511 /nfs/dbraw/zinc/23/25/11/313232511.db2.gz YDSOKMUSRUUWMD-UHFFFAOYSA-N 1 0 343.449 2.220 10 5 EEBERO CC(C)(NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000418746537 313895918 /nfs/dbraw/zinc/89/59/18/313895918.db2.gz IIEKRGRRXMOVID-LBPRGKRZSA-N 1 0 342.346 2.126 10 5 EEBERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000507235114 316375573 /nfs/dbraw/zinc/37/55/73/316375573.db2.gz ZDTYVDOIBDGTPW-DOMZBBRYSA-N 1 0 341.433 2.060 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCc1nccs1 ZINC000563707316 319038343 /nfs/dbraw/zinc/03/83/43/319038343.db2.gz NTMRRZPBELCMNT-LBPRGKRZSA-N 1 0 337.401 2.013 10 5 EEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567506666 319386163 /nfs/dbraw/zinc/38/61/63/319386163.db2.gz YOKXYVHBXZEZSP-AWEZNQCLSA-N 1 0 333.432 2.482 10 5 EEBERO O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)c(Br)c1 ZINC000576213450 320151429 /nfs/dbraw/zinc/15/14/29/320151429.db2.gz YUKDWPKMVVGIMX-CYBMUJFWSA-N 1 0 341.209 2.332 10 5 EEBERO C[C@H]1CC[N@H+](CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000576956039 320219847 /nfs/dbraw/zinc/21/98/47/320219847.db2.gz VMBZHRNYHOKCKX-NSHDSACASA-N 1 0 325.796 2.249 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000113225109 462577446 /nfs/dbraw/zinc/57/74/46/462577446.db2.gz OQWVQYCQHWSUER-WMLDXEAASA-N 1 0 346.431 2.482 10 5 EEBERO COc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000114013836 462621595 /nfs/dbraw/zinc/62/15/95/462621595.db2.gz SUBCAYCPKMMYMS-UHFFFAOYSA-N 1 0 335.404 2.295 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153616875 462670305 /nfs/dbraw/zinc/67/03/05/462670305.db2.gz JZJGRQUYPDPYAV-SUMWQHHRSA-N 1 0 344.415 2.387 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068548 462771456 /nfs/dbraw/zinc/77/14/56/462771456.db2.gz AXGDQJXOSYWDBU-FZMZJTMJSA-N 1 0 336.392 2.258 10 5 EEBERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000521501598 468318103 /nfs/dbraw/zinc/31/81/03/468318103.db2.gz SAUNXPWGJDGZGE-CYBMUJFWSA-N 1 0 328.372 2.240 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000160558672 463349076 /nfs/dbraw/zinc/34/90/76/463349076.db2.gz LHXYLICWQAJIBW-UHFFFAOYSA-N 1 0 330.388 2.163 10 5 EEBERO C[NH+](C)C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000123672142 463360446 /nfs/dbraw/zinc/36/04/46/463360446.db2.gz GMVIJGNYHYSRQP-INIZCTEOSA-N 1 0 342.399 2.426 10 5 EEBERO C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000161684892 463449212 /nfs/dbraw/zinc/44/92/12/463449212.db2.gz DPPDKYNCHMZGSI-KWQFWETISA-N 1 0 329.198 2.139 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000041925246 463521945 /nfs/dbraw/zinc/52/19/45/463521945.db2.gz JTIJNFZMMJISOD-CYBMUJFWSA-N 1 0 345.403 2.241 10 5 EEBERO O=C(C[N@H+]1CCC[C@@H]1CCCO)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000072636084 463528025 /nfs/dbraw/zinc/52/80/25/463528025.db2.gz OCANEVADONFBCI-OAHLLOKOSA-N 1 0 347.415 2.111 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000170864136 463726644 /nfs/dbraw/zinc/72/66/44/463726644.db2.gz OOORHWSWIMEHPI-CYBMUJFWSA-N 1 0 346.412 2.494 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000171079228 463778861 /nfs/dbraw/zinc/77/88/61/463778861.db2.gz AZSGZIKYLLOBBM-JTQLQIEISA-N 1 0 344.318 2.364 10 5 EEBERO [NH3+]CCN(CCc1ccccc1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000261834402 463873453 /nfs/dbraw/zinc/87/34/53/463873453.db2.gz ZJBHXIMMSMKUMJ-UHFFFAOYSA-N 1 0 342.399 2.037 10 5 EEBERO COC(=O)c1cc(C)nc(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000287850540 464020763 /nfs/dbraw/zinc/02/07/63/464020763.db2.gz SBNMTJKSLBNJCH-UHFFFAOYSA-N 1 0 336.392 2.007 10 5 EEBERO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000284569502 464246682 /nfs/dbraw/zinc/24/66/82/464246682.db2.gz OEBDRTLKVAVQAY-IAGOWNOFSA-N 1 0 328.372 2.052 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181538167 464503824 /nfs/dbraw/zinc/50/38/24/464503824.db2.gz RRXLSWJWNWPBAF-MRXNPFEDSA-N 1 0 345.403 2.028 10 5 EEBERO CCOc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000246499716 464591597 /nfs/dbraw/zinc/59/15/97/464591597.db2.gz RZBPXULRLNVHJA-KBPBESRZSA-N 1 0 337.420 2.275 10 5 EEBERO C[C@@H]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599917561 468413295 /nfs/dbraw/zinc/41/32/95/468413295.db2.gz SOOKPJRDAFWYOV-UKRRQHHQSA-N 1 0 334.420 2.357 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000282258176 464755707 /nfs/dbraw/zinc/75/57/07/464755707.db2.gz NMZYWKFAKNFRFZ-CYBMUJFWSA-N 1 0 345.403 2.020 10 5 EEBERO Cc1nn(CCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000295474009 464849836 /nfs/dbraw/zinc/84/98/36/464849836.db2.gz YGMCISMEEKTNSU-UHFFFAOYSA-N 1 0 329.404 2.312 10 5 EEBERO O=[N+]([O-])c1cnc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000192514767 464940339 /nfs/dbraw/zinc/94/03/39/464940339.db2.gz FTIBDLUIVBILNA-CHWSQXEVSA-N 1 0 334.401 2.099 10 5 EEBERO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342432371 465320873 /nfs/dbraw/zinc/32/08/73/465320873.db2.gz FQVQNMYCRIBNAA-BONVTDFDSA-N 1 0 341.358 2.214 10 5 EEBERO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1C[NH+]2CCC1CC2 ZINC000347960310 465336432 /nfs/dbraw/zinc/33/64/32/465336432.db2.gz WTTLAAUOICICNI-INIZCTEOSA-N 1 0 328.372 2.242 10 5 EEBERO C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000339738385 465479124 /nfs/dbraw/zinc/47/91/24/465479124.db2.gz IGLWZFDFDWYEOG-HUUCEWRRSA-N 1 0 347.415 2.168 10 5 EEBERO Cc1cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600007043 468435339 /nfs/dbraw/zinc/43/53/39/468435339.db2.gz MWQWXGXHUSVFGM-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339962148 465638489 /nfs/dbraw/zinc/63/84/89/465638489.db2.gz FAPZTEHBQPNFTJ-AWEZNQCLSA-N 1 0 349.431 2.099 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362399407 465706631 /nfs/dbraw/zinc/70/66/31/465706631.db2.gz CZRJGGOPSQRZJO-SNVBAGLBSA-N 1 0 327.331 2.016 10 5 EEBERO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000357229605 465873763 /nfs/dbraw/zinc/87/37/63/465873763.db2.gz UGGJSDWLNRIBBR-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340821878 466361796 /nfs/dbraw/zinc/36/17/96/466361796.db2.gz RVTIOKWSFHPEJE-CQSZACIVSA-N 1 0 347.371 2.182 10 5 EEBERO CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000350093681 466383727 /nfs/dbraw/zinc/38/37/27/466383727.db2.gz GMOMKQYQUOMCJS-HNNXBMFYSA-N 1 0 342.403 2.063 10 5 EEBERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375151708 466822786 /nfs/dbraw/zinc/82/27/86/466822786.db2.gz JVJLFFSQULPFER-SUMWQHHRSA-N 1 0 340.383 2.240 10 5 EEBERO CCOc1cc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)ccc1[N+](=O)[O-] ZINC000412074008 466995907 /nfs/dbraw/zinc/99/59/07/466995907.db2.gz JGVQZRFAXSFVES-CQSZACIVSA-N 1 0 335.404 2.483 10 5 EEBERO CCn1ccnc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000453297017 467477917 /nfs/dbraw/zinc/47/79/17/467477917.db2.gz XHFLOZLZFREUFJ-GFCCVEGCSA-N 1 0 331.376 2.318 10 5 EEBERO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532143661 468100587 /nfs/dbraw/zinc/10/05/87/468100587.db2.gz SURXLGSFOHFBGZ-UHFFFAOYSA-N 1 0 344.375 2.095 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000589501955 468158340 /nfs/dbraw/zinc/15/83/40/468158340.db2.gz LXSNADUBGLEHBL-DOMZBBRYSA-N 1 0 335.404 2.296 10 5 EEBERO COc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000591728807 468512276 /nfs/dbraw/zinc/51/22/76/468512276.db2.gz PYQJTMKRTCAERG-UHFFFAOYSA-N 1 0 330.344 2.117 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC3CCC2(C[NH3+])CC3)cccc1[N+](=O)[O-] ZINC000594532054 468615561 /nfs/dbraw/zinc/61/55/61/468615561.db2.gz ZZAGJDUXPLABKL-VNSJNIRKSA-N 1 0 346.431 2.434 10 5 EEBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000592184812 468649130 /nfs/dbraw/zinc/64/91/30/468649130.db2.gz RVJZDTOWDFBLDF-CQSZACIVSA-N 1 0 345.321 2.404 10 5 EEBERO CC(C)(C)N1CC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594717997 468662074 /nfs/dbraw/zinc/66/20/74/468662074.db2.gz JUTWZQPARODYGX-ZDUSSCGKSA-N 1 0 334.420 2.386 10 5 EEBERO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945031 468720379 /nfs/dbraw/zinc/72/03/79/468720379.db2.gz GRZLEVRLQJNZIS-OAHLLOKOSA-N 1 0 346.431 2.361 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000601104533 468742396 /nfs/dbraw/zinc/74/23/96/468742396.db2.gz ABRKPBLEOLVUBF-RKDXNWHRSA-N 1 0 333.314 2.386 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H]1C ZINC000601135627 468755959 /nfs/dbraw/zinc/75/59/59/468755959.db2.gz ICCDTMGCTOYJMU-RKDXNWHRSA-N 1 0 335.330 2.266 10 5 EEBERO Cc1noc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1[N+](=O)[O-] ZINC000595515351 468884541 /nfs/dbraw/zinc/88/45/41/468884541.db2.gz CZBFPEUYSMUJLD-CJNGLKHVSA-N 1 0 335.335 2.191 10 5 EEBERO COc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000601554857 468916124 /nfs/dbraw/zinc/91/61/24/468916124.db2.gz WEBKVONIXDMHQI-TZMCWYRMSA-N 1 0 333.388 2.126 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595753261 468990846 /nfs/dbraw/zinc/99/08/46/468990846.db2.gz XTLUALXRTRXMIO-GOSISDBHSA-N 1 0 347.415 2.469 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595757472 468992095 /nfs/dbraw/zinc/99/20/95/468992095.db2.gz JQFXRKGYWLRERK-CXAGYDPISA-N 1 0 333.388 2.200 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826554 469029763 /nfs/dbraw/zinc/02/97/63/469029763.db2.gz AMOVZBVPZCFCRW-KBPBESRZSA-N 1 0 333.388 2.200 10 5 EEBERO O=C(NCCC[NH2+]Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916609 469048127 /nfs/dbraw/zinc/04/81/27/469048127.db2.gz FRFMVOQDDMFMBZ-UHFFFAOYSA-N 1 0 347.350 2.430 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)o1 ZINC000598990689 469079582 /nfs/dbraw/zinc/07/95/82/469079582.db2.gz QOCUNUCZEJITGV-RDJZCZTQSA-N 1 0 332.356 2.484 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595930024 469087766 /nfs/dbraw/zinc/08/77/66/469087766.db2.gz MCVRRSWFWPHRJB-YPMHNXCESA-N 1 0 343.387 2.194 10 5 EEBERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587454910 469090141 /nfs/dbraw/zinc/09/01/41/469090141.db2.gz KMMDKFRPIFRARC-UPJWGTAASA-N 1 0 336.436 2.448 10 5 EEBERO CC(C)([NH3+])c1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000595961664 469098136 /nfs/dbraw/zinc/09/81/36/469098136.db2.gz MJDAOVIMLAVPHE-UHFFFAOYSA-N 1 0 332.360 2.442 10 5 EEBERO CC(C)(CO)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599046832 469099061 /nfs/dbraw/zinc/09/90/61/469099061.db2.gz RWJLYRCEJVXSSF-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000593754550 469124494 /nfs/dbraw/zinc/12/44/94/469124494.db2.gz DJCKPSPESNVNOH-UHFFFAOYSA-N 1 0 326.372 2.024 10 5 EEBERO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066335 469136720 /nfs/dbraw/zinc/13/67/20/469136720.db2.gz CTRWEMOARWUJGJ-JCKWVBRZSA-N 1 0 346.383 2.046 10 5 EEBERO Cn1nnnc1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611314533 469226193 /nfs/dbraw/zinc/22/61/93/469226193.db2.gz BAPBQOQACPOOFF-UHFFFAOYSA-N 1 0 344.400 2.179 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000596568192 469303304 /nfs/dbraw/zinc/30/33/04/469303304.db2.gz QGVHIODMBTVBRR-LBPRGKRZSA-N 1 0 328.800 2.190 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604562158 469494793 /nfs/dbraw/zinc/49/47/93/469494793.db2.gz GUVIAPDBMRVRHJ-MRXNPFEDSA-N 1 0 347.415 2.230 10 5 EEBERO C[C@@H]1C[N@H+](C(C)(C)CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 ZINC000617426726 469676541 /nfs/dbraw/zinc/67/65/41/469676541.db2.gz JVFQMMAAXNTZJY-TXEJJXNPSA-N 1 0 347.419 2.193 10 5 EEBERO COc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610178062 469985760 /nfs/dbraw/zinc/98/57/60/469985760.db2.gz MXVSVKNZCSINID-TZMCWYRMSA-N 1 0 335.404 2.087 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000646914850 470773635 /nfs/dbraw/zinc/77/36/35/470773635.db2.gz DUPQCUDLWGLLCW-LIRRHRJNSA-N 1 0 347.418 2.457 10 5 EEBERO Cc1c(NC(=O)CC[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000191267310 533899408 /nfs/dbraw/zinc/89/94/08/533899408.db2.gz PZLXZCXXMOVOGW-RYUDHWBXSA-N 1 0 335.404 2.466 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779349 527830821 /nfs/dbraw/zinc/83/08/21/527830821.db2.gz QVSJBEFJNWYLJN-HIFRSBDPSA-N 1 0 334.420 2.195 10 5 EEBERO CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000733192194 577212613 /nfs/dbraw/zinc/21/26/13/577212613.db2.gz XUENDONKSLUJRY-ZDUSSCGKSA-N 1 0 330.388 2.152 10 5 EEBERO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763901688 577727707 /nfs/dbraw/zinc/72/77/07/577727707.db2.gz MJGFQXMRXXNMFS-KOLCDFICSA-N 1 0 327.768 2.201 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000750728499 577741886 /nfs/dbraw/zinc/74/18/86/577741886.db2.gz QWDGCZIFFZLKKM-MRXNPFEDSA-N 1 0 347.415 2.276 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000749645843 577979409 /nfs/dbraw/zinc/97/94/09/577979409.db2.gz IHFZDFBPYQJVPU-HUUCEWRRSA-N 1 0 330.340 2.058 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cn1 ZINC000749937377 577983996 /nfs/dbraw/zinc/98/39/96/577983996.db2.gz LZWDJYUESBLYAO-UHFFFAOYSA-N 1 0 337.767 2.259 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261886644 682017369 /nfs/dbraw/zinc/01/73/69/682017369.db2.gz FZLBFOJJTAEUAW-NUEKZKHPSA-N 1 0 339.823 2.495 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000047142634 684909637 /nfs/dbraw/zinc/90/96/37/684909637.db2.gz AYSMPSLLSCJOHL-LLVKDONJSA-N 1 0 336.348 2.107 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000925322414 692043024 /nfs/dbraw/zinc/04/30/24/692043024.db2.gz XKWISOGMVUHIFR-SCZZXKLOSA-N 1 0 344.318 2.410 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cc(C)n[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266556421 1176837717 /nfs/dbraw/zinc/83/77/17/1176837717.db2.gz MYKMCKIFTBKQDM-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO O=C(COC1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266578424 1176880258 /nfs/dbraw/zinc/88/02/58/1176880258.db2.gz VKXVUNYKFHUDGL-SHTZXODSSA-N 1 0 347.415 2.291 10 5 EEBERO O=C(N[C@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482015745 1183133937 /nfs/dbraw/zinc/13/39/37/1183133937.db2.gz GPKFBIBPKNVCND-QICYXEMGSA-N 1 0 343.427 2.382 10 5 EEBERO COc1ccc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001268889237 1183793111 /nfs/dbraw/zinc/79/31/11/1183793111.db2.gz GULZJNLPZYBRNJ-UHFFFAOYSA-N 1 0 347.371 2.448 10 5 EEBERO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cs1 ZINC001270743911 1185361011 /nfs/dbraw/zinc/36/10/11/1185361011.db2.gz YKJSKXHWMSPWPE-ZIAGYGMSSA-N 1 0 337.445 2.240 10 5 EEBERO CC1(C)CC(C[NH+]2CCC(C)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001270878830 1185595019 /nfs/dbraw/zinc/59/50/19/1185595019.db2.gz CVRCLHWGRXDUPD-HUUCEWRRSA-N 1 0 337.464 2.306 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000814146969 1199319089 /nfs/dbraw/zinc/31/90/89/1199319089.db2.gz VUUZMHSEVYXJHB-XPTSAGLGSA-N 1 0 341.770 2.092 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000877781067 1200098622 /nfs/dbraw/zinc/09/86/22/1200098622.db2.gz PTQNDYSJRFLLLW-JLHYYAGUSA-N 1 0 342.403 2.401 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000924374419 1205965941 /nfs/dbraw/zinc/96/59/41/1205965941.db2.gz WOSZVMOEJKKRNG-INIZCTEOSA-N 1 0 347.415 2.105 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000928450359 1206386011 /nfs/dbraw/zinc/38/60/11/1206386011.db2.gz IANPJWABISQSLE-DOMZBBRYSA-N 1 0 332.404 2.017 10 5 EEBERO CCOc1cc(C[N@@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000930909590 1206591773 /nfs/dbraw/zinc/59/17/73/1206591773.db2.gz GQZDUUGNIGSZAF-MBNYWOFBSA-N 1 0 335.404 2.468 10 5 EEBERO [NH3+][C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903534275 1240830159 /nfs/dbraw/zinc/83/01/59/1240830159.db2.gz DOHOGMFZVCNQKE-WDEREUQCSA-N 1 0 333.310 2.185 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cocn1 ZINC001273495940 1278593088 /nfs/dbraw/zinc/59/30/88/1278593088.db2.gz OTGNTHFFILWLQR-UHFFFAOYSA-N 1 0 332.360 2.177 10 5 EEBERO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000856407944 1293516700 /nfs/dbraw/zinc/51/67/00/1293516700.db2.gz ZMUBZUMPKFUBEA-JOYOIKCWSA-N 1 0 336.348 2.024 10 5 EEBERO C[NH+](C)C1CC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000857228535 1293764629 /nfs/dbraw/zinc/76/46/29/1293764629.db2.gz PHOWMJSDNOAJNB-UHFFFAOYSA-N 1 0 329.759 2.139 10 5 EEBERO Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858041265 1293992223 /nfs/dbraw/zinc/99/22/23/1293992223.db2.gz JIPQGXQODDJEHL-IRXDYDNUSA-N 1 0 343.383 2.485 10 5 EEBERO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863031514 1296087223 /nfs/dbraw/zinc/08/72/23/1296087223.db2.gz HLIHMWVWPGVVCX-NSHDSACASA-N 1 0 336.367 2.063 10 5 EEBERO C[NH+]1C[C@]2(C)CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@]2(C)C1 ZINC000931315092 1297131354 /nfs/dbraw/zinc/13/13/54/1297131354.db2.gz UHEYSXDOLZFCNN-IAGOWNOFSA-N 1 0 329.404 2.245 10 5 EEBERO C[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000931334416 1297142227 /nfs/dbraw/zinc/14/22/27/1297142227.db2.gz OZSQNGPVHLFYNY-JTQLQIEISA-N 1 0 343.181 2.183 10 5 EEBERO C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001123944495 1310770023 /nfs/dbraw/zinc/77/00/23/1310770023.db2.gz YJBFIXHLUOGZAP-LBPRGKRZSA-N 1 0 332.404 2.266 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000842481150 1315713801 /nfs/dbraw/zinc/71/38/01/1315713801.db2.gz FCOABAQNZQINDS-LLVKDONJSA-N 1 0 349.840 2.208 10 5 EEBERO C[C@H](O)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000843089855 1315839432 /nfs/dbraw/zinc/83/94/32/1315839432.db2.gz UAXVFJVCNCAJRY-MZPVMMEZSA-N 1 0 334.347 2.479 10 5 EEBERO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843361495 1315900889 /nfs/dbraw/zinc/90/08/89/1315900889.db2.gz JYTKYIAJCQQREP-GFCCVEGCSA-N 1 0 338.795 2.013 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC001301504178 1331301391 /nfs/dbraw/zinc/30/13/91/1331301391.db2.gz RIMAHCUZNGEHKP-AWEZNQCLSA-N 1 0 332.404 2.150 10 5 EEBERO CCN(CCNC(=O)C1=COCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001317476861 1331618485 /nfs/dbraw/zinc/61/84/85/1331618485.db2.gz JLBVUMOWHXYMSE-UHFFFAOYSA-N 1 0 333.388 2.227 10 5 EEBERO CCCC(=O)N1CCC([N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001316809720 1331905886 /nfs/dbraw/zinc/90/58/86/1331905886.db2.gz MQBRGYCYKHLQKJ-UHFFFAOYSA-N 1 0 349.431 2.180 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccns1 ZINC001323457832 1333467316 /nfs/dbraw/zinc/46/73/16/1333467316.db2.gz QOBZMTUXWJXLOA-UHFFFAOYSA-N 1 0 332.385 2.104 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC001327208525 1334246125 /nfs/dbraw/zinc/24/61/25/1334246125.db2.gz KBYISLYVFCJXKZ-UHFFFAOYSA-N 1 0 335.404 2.298 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001328734308 1334510208 /nfs/dbraw/zinc/51/02/08/1334510208.db2.gz PUUMYLWUNCXIBH-UHFFFAOYSA-N 1 0 334.420 2.379 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc[nH]n1 ZINC001329268834 1334618372 /nfs/dbraw/zinc/61/83/72/1334618372.db2.gz PHJIUDSOJGJXNS-UHFFFAOYSA-N 1 0 345.403 2.206 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)c1 ZINC000849228729 1339150317 /nfs/dbraw/zinc/15/03/17/1339150317.db2.gz OVKYXLPQRANNFA-JTQLQIEISA-N 1 0 326.316 2.112 10 5 EEBERO COCC[N@@H+]1CCC[C@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001559216818 1342498987 /nfs/dbraw/zinc/49/89/87/1342498987.db2.gz PDBGZPGILMGFME-ZDUSSCGKSA-N 1 0 348.378 2.227 10 5 EEBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001567356066 1342743967 /nfs/dbraw/zinc/74/39/67/1342743967.db2.gz MECGVRYRCQFODG-CQSZACIVSA-N 1 0 335.404 2.353 10 5 EEBERO COc1cc(C(=O)NCc2ccn3ccnc3c2)c([N+](=O)[O-])cc1F ZINC001595724954 1349893055 /nfs/dbraw/zinc/89/30/55/1349893055.db2.gz MZXWYZPPZCSKIN-UHFFFAOYSA-N 1 0 344.302 2.320 10 5 EEBERO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001622828135 1352389387 /nfs/dbraw/zinc/38/93/87/1352389387.db2.gz ZFMQXUIVROULOL-WCBMZHEXSA-N 1 0 338.795 2.185 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001633310064 1352609087 /nfs/dbraw/zinc/60/90/87/1352609087.db2.gz KTXMPIKIWNECSP-CYBMUJFWSA-N 1 0 337.807 2.391 10 5 EEBERO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(F)cc1 ZINC001638246653 1352686073 /nfs/dbraw/zinc/68/60/73/1352686073.db2.gz NOPSXIKAZWVXDX-INIZCTEOSA-N 1 0 346.362 2.349 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3cccnc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001652342412 1354088861 /nfs/dbraw/zinc/08/88/61/1354088861.db2.gz MEFLWYULQZJZSD-CQSZACIVSA-N 1 0 328.372 2.019 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001654225645 1354144574 /nfs/dbraw/zinc/14/45/74/1354144574.db2.gz AQSLZPATTPIPBA-APIJFGDWSA-N 1 0 347.415 2.323 10 5 EEBERO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)ccc1[N+](=O)[O-] ZINC001654376740 1354147798 /nfs/dbraw/zinc/14/77/98/1354147798.db2.gz HAJIUHZKBOJOHR-GFCCVEGCSA-N 1 0 347.375 2.338 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001655102282 1354165278 /nfs/dbraw/zinc/16/52/78/1354165278.db2.gz RRVHZBPAOGGSFB-XJKSGUPXSA-N 1 0 336.388 2.026 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(CO)CCC[C@@H]34)n2)cc1 ZINC001655627392 1354180220 /nfs/dbraw/zinc/18/02/20/1354180220.db2.gz CAHKIPKSPPXKMM-RHSMWYFYSA-N 1 0 344.371 2.382 10 5 EEBERO CC(C)n1cnc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001664093744 1355091339 /nfs/dbraw/zinc/09/13/39/1355091339.db2.gz ZHGJTBPYRXSUSZ-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO CC/C=C(\C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001666274635 1355500924 /nfs/dbraw/zinc/50/09/24/1355500924.db2.gz GMXOWDMPNXTFRL-AOJQHBBLSA-N 1 0 349.435 2.202 10 5 EEBERO CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001670091292 1356274061 /nfs/dbraw/zinc/27/40/61/1356274061.db2.gz VZVWZQCEGRQJDD-IAGOWNOFSA-N 1 0 333.432 2.413 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1cc[nH]c1 ZINC001673168338 1356651102 /nfs/dbraw/zinc/65/11/02/1356651102.db2.gz IPNBAVAMAYAQMQ-UHFFFAOYSA-N 1 0 328.372 2.365 10 5 EEBERO CCOCC(=O)N1CCC(C)([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001673938595 1356763507 /nfs/dbraw/zinc/76/35/07/1356763507.db2.gz WIYNZTFSENHJQS-UHFFFAOYSA-N 1 0 341.433 2.164 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000818000497 785116994 /nfs/dbraw/zinc/11/69/94/785116994.db2.gz AZKJQGBZYQIFJX-ABAIWWIYSA-N 1 0 348.359 2.107 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908268928 785283438 /nfs/dbraw/zinc/28/34/38/785283438.db2.gz QYDVQYVIXMHWPS-UHFFFAOYSA-N 1 0 333.388 2.261 10 5 EEBERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000820006488 785739158 /nfs/dbraw/zinc/73/91/58/785739158.db2.gz ZYXVJRUZQFZCLJ-TZMCWYRMSA-N 1 0 341.371 2.074 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC000585118020 786498335 /nfs/dbraw/zinc/49/83/35/786498335.db2.gz TWMBFQIHELPCSK-OLZOCXBDSA-N 1 0 334.376 2.061 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913292589 788770005 /nfs/dbraw/zinc/77/00/05/788770005.db2.gz ANNRZCQRDUZPLN-ROUUACIJSA-N 1 0 346.431 2.075 10 5 EEBERO COCC[N@@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000844431630 789119253 /nfs/dbraw/zinc/11/92/53/789119253.db2.gz LAWSTALYIPBFCS-UHFFFAOYSA-N 1 0 325.384 2.277 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923537839 789741169 /nfs/dbraw/zinc/74/11/69/789741169.db2.gz DFOSBGCRMVDIJH-RDTXWAMCSA-N 1 0 346.431 2.448 10 5 EEBERO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788541056 807566383 /nfs/dbraw/zinc/56/63/83/807566383.db2.gz BRZSTJYPNAWGBI-GXTWGEPZSA-N 1 0 342.403 2.287 10 5 EEBERO C[N@H+](CCCNC(=O)C1(C)CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC001566500516 1125667848 /nfs/dbraw/zinc/66/78/48/1125667848.db2.gz CUGAHVJLKXTNGT-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001480201929 1099803104 /nfs/dbraw/zinc/80/31/04/1099803104.db2.gz YMYXOFIDJMLGJM-PIEANVHJSA-N 1 0 340.383 2.373 10 5 EEBERO Cc1cccc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001497531865 1102628866 /nfs/dbraw/zinc/62/88/66/1102628866.db2.gz ZCJOXGHPTCOAHM-PLNGDYQASA-N 1 0 340.383 2.374 10 5 EEBERO CNc1c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC001454183341 1106837733 /nfs/dbraw/zinc/83/77/33/1106837733.db2.gz YUEHQXXLRPXNII-ZIAGYGMSSA-N 1 0 332.404 2.239 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccnc1 ZINC001498507083 1107651020 /nfs/dbraw/zinc/65/10/20/1107651020.db2.gz DFHGATJDADKLEG-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C2CC2)no1 ZINC001493714150 1108552119 /nfs/dbraw/zinc/55/21/19/1108552119.db2.gz RAZHQERYGNBZMF-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO Cc1c[nH]nc1C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001502193261 1113630648 /nfs/dbraw/zinc/63/06/48/1113630648.db2.gz WYJOKGDCWSFHSP-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001544199255 1124142490 /nfs/dbraw/zinc/14/24/90/1124142490.db2.gz KWAPJSDWDWKKCV-BETUJISGSA-N 1 0 334.420 2.275 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001568236447 1124378329 /nfs/dbraw/zinc/37/83/29/1124378329.db2.gz OVWMNNBOBXYWIZ-OAHLLOKOSA-N 1 0 345.403 2.208 10 5 EEBERO Cc1nc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001569190290 1125154495 /nfs/dbraw/zinc/15/44/95/1125154495.db2.gz OFWKJAQGMCTELH-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO CN(c1ncnc(Oc2cccnc2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040660444 213365344 /nfs/dbraw/zinc/36/53/44/213365344.db2.gz OTBJTNBVKZCYER-UHFFFAOYSA-N 1 0 344.375 2.103 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000183333233 235013757 /nfs/dbraw/zinc/01/37/57/235013757.db2.gz DNXPKFPXBFAJRY-UHFFFAOYSA-N 1 0 343.431 2.345 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111316203 220138644 /nfs/dbraw/zinc/13/86/44/220138644.db2.gz IXMVWNGJNMAAPJ-NNQSOWQGSA-N 1 0 333.388 2.220 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1Cl ZINC000268830830 252280451 /nfs/dbraw/zinc/28/04/51/252280451.db2.gz SCYNUWIGFYKEHM-YMTOWFKASA-N 1 0 341.795 2.421 10 5 EEBERO C[NH+](C)C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000153585704 224126397 /nfs/dbraw/zinc/12/63/97/224126397.db2.gz PWTDMKXPZPYJRU-MRXNPFEDSA-N 1 0 346.387 2.012 10 5 EEBERO CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH3+] ZINC000262195248 160444779 /nfs/dbraw/zinc/44/47/79/160444779.db2.gz ZXKVZOBWTAUABR-CYBMUJFWSA-N 1 0 325.796 2.377 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCCO1 ZINC000076300036 159083389 /nfs/dbraw/zinc/08/33/89/159083389.db2.gz NXCFHIDVYUCMFF-ZDUSSCGKSA-N 1 0 337.376 2.043 10 5 EEBERO Cc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000093150195 159230045 /nfs/dbraw/zinc/23/00/45/159230045.db2.gz ZYEKUGMXNAHLPQ-UHFFFAOYSA-N 1 0 327.388 2.406 10 5 EEBERO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000093534299 159235920 /nfs/dbraw/zinc/23/59/20/159235920.db2.gz LWKKEPAJPMWMMV-LBPRGKRZSA-N 1 0 329.360 2.085 10 5 EEBERO O=C(CC[NH2+][C@@H](CO)c1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000352031614 162037599 /nfs/dbraw/zinc/03/75/99/162037599.db2.gz GCYKMRUNOPSIAP-ZDUSSCGKSA-N 1 0 335.385 2.308 10 5 EEBERO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426159 162131585 /nfs/dbraw/zinc/13/15/85/162131585.db2.gz RBFUGMOTGCKKNN-CQSZACIVSA-N 1 0 335.404 2.342 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCC[NH+](CC)CC)n1 ZINC000191780866 274051993 /nfs/dbraw/zinc/05/19/93/274051993.db2.gz KVRUEVJXFXPGQO-LBPRGKRZSA-N 1 0 325.413 2.052 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000418994081 274348805 /nfs/dbraw/zinc/34/88/05/274348805.db2.gz HJEZHJXJNZHPFL-QWHCGFSZSA-N 1 0 330.388 2.034 10 5 EEBERO COC(=O)c1cc(C)nc(NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000285678398 274773613 /nfs/dbraw/zinc/77/36/13/274773613.db2.gz PVZHBIFHTKQTHH-LBPRGKRZSA-N 1 0 348.359 2.393 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000291874730 275348939 /nfs/dbraw/zinc/34/89/39/275348939.db2.gz INXZVOMRDQOFFN-CQSZACIVSA-N 1 0 342.399 2.302 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353625795 278222304 /nfs/dbraw/zinc/22/23/04/278222304.db2.gz GXHMDSBOMIHAIE-WCQYABFASA-N 1 0 343.387 2.182 10 5 EEBERO C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)[C@H]1C[NH3+] ZINC000252185343 278485996 /nfs/dbraw/zinc/48/59/96/278485996.db2.gz QSNURUHVVYMACT-KCJUWKMLSA-N 1 0 329.198 2.316 10 5 EEBERO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408039671 290169462 /nfs/dbraw/zinc/16/94/62/290169462.db2.gz XDJCSRFKVLCTNX-GJZGRUSLSA-N 1 0 325.796 2.153 10 5 EEBERO CCOc1cc(CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000293315922 293179402 /nfs/dbraw/zinc/17/94/02/293179402.db2.gz QPQUKOGOQXZJMZ-DLBZAZTESA-N 1 0 349.431 2.289 10 5 EEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000299043225 294644671 /nfs/dbraw/zinc/64/46/71/294644671.db2.gz WIJIWEXXBWKXKP-OAHLLOKOSA-N 1 0 342.399 2.080 10 5 EEBERO CC[NH+]1CCN([C@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000301612869 294875022 /nfs/dbraw/zinc/87/50/22/294875022.db2.gz GKNXRQYSKFVBAJ-GFCCVEGCSA-N 1 0 340.399 2.180 10 5 EEBERO C[NH+](C)C1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000416310080 313207986 /nfs/dbraw/zinc/20/79/86/313207986.db2.gz YOCWXSQEIQJNKN-UHFFFAOYSA-N 1 0 329.303 2.020 10 5 EEBERO COCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000425501366 314407526 /nfs/dbraw/zinc/40/75/26/314407526.db2.gz DYSNDZCYULMGCD-UHFFFAOYSA-N 1 0 337.420 2.146 10 5 EEBERO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000449357151 315437673 /nfs/dbraw/zinc/43/76/73/315437673.db2.gz BUGJKUVIHQEHNK-ZDUSSCGKSA-N 1 0 332.381 2.256 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000516068753 316531923 /nfs/dbraw/zinc/53/19/23/316531923.db2.gz MMWIBJSXFUEILK-UHFFFAOYSA-N 1 0 329.360 2.497 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000538314801 318034735 /nfs/dbraw/zinc/03/47/35/318034735.db2.gz QTRPJHLDZWOOHJ-UHFFFAOYSA-N 1 0 344.209 2.381 10 5 EEBERO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000550764930 318455010 /nfs/dbraw/zinc/45/50/10/318455010.db2.gz QLOPJZIBBCTEQE-HNNXBMFYSA-N 1 0 346.383 2.441 10 5 EEBERO C[NH+](C)CCOC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000564893059 319123806 /nfs/dbraw/zinc/12/38/06/319123806.db2.gz RNTFOFNBJSJBSI-UHFFFAOYSA-N 1 0 348.447 2.416 10 5 EEBERO CC(F)(F)CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576512175 320178226 /nfs/dbraw/zinc/17/82/26/320178226.db2.gz PLMURPLNYQOODH-UHFFFAOYSA-N 1 0 336.360 2.394 10 5 EEBERO COc1ccc(OCCN2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000576943672 320218407 /nfs/dbraw/zinc/21/84/07/320218407.db2.gz QLBAXULRUDYSTD-QGZVFWFLSA-N 1 0 335.404 2.058 10 5 EEBERO CC(C)(C)OC1CC([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000577837687 320278783 /nfs/dbraw/zinc/27/87/83/320278783.db2.gz GHHFLQOPHDTMIN-UHFFFAOYSA-N 1 0 334.420 2.458 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000181827042 323357611 /nfs/dbraw/zinc/35/76/11/323357611.db2.gz HMGZPLJAOCNNBV-IMJJTQAJSA-N 1 0 338.404 2.110 10 5 EEBERO CC[NH+](CC)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccco1 ZINC000347872434 465278125 /nfs/dbraw/zinc/27/81/25/465278125.db2.gz WXHFXQYMTYWEHM-LBPRGKRZSA-N 1 0 344.375 2.726 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000160422231 463337563 /nfs/dbraw/zinc/33/75/63/463337563.db2.gz HLNMNABBMQUREG-ZJUUUORDSA-N 1 0 327.331 2.428 10 5 EEBERO Cc1c([C@@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000164918763 463636342 /nfs/dbraw/zinc/63/63/42/463636342.db2.gz GSUNOOGNEQYNAP-PBHICJAKSA-N 1 0 349.431 2.437 10 5 EEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000261678208 463825030 /nfs/dbraw/zinc/82/50/30/463825030.db2.gz CHPZEQMXGWLHME-SWKMLJDHSA-N 1 0 343.387 2.107 10 5 EEBERO C[NH2+]C1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000261694137 463830170 /nfs/dbraw/zinc/83/01/70/463830170.db2.gz HTSYOYYKHGUMPO-UHFFFAOYSA-N 1 0 342.193 2.181 10 5 EEBERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000172179120 464010946 /nfs/dbraw/zinc/01/09/46/464010946.db2.gz RBGCXPXKTRNVIX-NWDGAFQWSA-N 1 0 327.812 2.135 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187931230 464174585 /nfs/dbraw/zinc/17/45/85/464174585.db2.gz BMXYOEKJTKMIPN-SJCJKPOMSA-N 1 0 335.404 2.325 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280248755 464195520 /nfs/dbraw/zinc/19/55/20/464195520.db2.gz SLRGCFCFRQQWCV-JTQLQIEISA-N 1 0 343.786 2.388 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281293597 464404362 /nfs/dbraw/zinc/40/43/62/464404362.db2.gz QZOIFGRYTZGRRR-AWEZNQCLSA-N 1 0 335.404 2.130 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000284977433 464414146 /nfs/dbraw/zinc/41/41/46/464414146.db2.gz XWERRNBWBGCBJU-GOEBONIOSA-N 1 0 335.404 2.009 10 5 EEBERO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238131897 464434318 /nfs/dbraw/zinc/43/43/18/464434318.db2.gz ZYIZIMKMXBKHJS-YDHLFZDLSA-N 1 0 332.404 2.044 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000264940975 464503876 /nfs/dbraw/zinc/50/38/76/464503876.db2.gz RWRYBUFDEWLACS-HNNXBMFYSA-N 1 0 346.431 2.408 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183096380 464795591 /nfs/dbraw/zinc/79/55/91/464795591.db2.gz YWGWCGXSILAVEO-SMDDNHRTSA-N 1 0 337.376 2.089 10 5 EEBERO CCOC(=O)c1cc(N2CCC[N@@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000176956906 464894276 /nfs/dbraw/zinc/89/42/76/464894276.db2.gz WLKVCHQXHFSEOY-UHFFFAOYSA-N 1 0 333.388 2.446 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000361010105 465698444 /nfs/dbraw/zinc/69/84/44/465698444.db2.gz BBKXQQJZJNDNGC-ABUXHAGHSA-N 1 0 333.388 2.015 10 5 EEBERO CCC[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301109635 465903243 /nfs/dbraw/zinc/90/32/43/465903243.db2.gz RPWBBKDOVOPTOK-UHFFFAOYSA-N 1 0 334.376 2.212 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](C4CCCC4)CC3)nn21 ZINC000302016905 466081201 /nfs/dbraw/zinc/08/12/01/466081201.db2.gz YUXOPSFLFHGTTO-UHFFFAOYSA-N 1 0 330.392 2.456 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000367841039 466543789 /nfs/dbraw/zinc/54/37/89/466543789.db2.gz DLHAEAFPAJPWOD-UHFFFAOYSA-N 1 0 348.403 2.149 10 5 EEBERO Nc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000600227762 468500924 /nfs/dbraw/zinc/50/09/24/468500924.db2.gz FYXKEHCMFBESFZ-CYBMUJFWSA-N 1 0 332.404 2.314 10 5 EEBERO [NH3+]CC12CC(C1)CN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000662676679 472200781 /nfs/dbraw/zinc/20/07/81/472200781.db2.gz IRAARCDBQZVKAD-UHFFFAOYSA-N 1 0 347.418 2.104 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000370996536 467067304 /nfs/dbraw/zinc/06/73/04/467067304.db2.gz DZNYPHDYZHPCQK-WMLDXEAASA-N 1 0 328.372 2.298 10 5 EEBERO C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1C(=O)OC(C)(C)C ZINC000425511813 467102552 /nfs/dbraw/zinc/10/25/52/467102552.db2.gz DYMQVERACWMBPU-GXTWGEPZSA-N 1 0 338.408 2.234 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)n1 ZINC000427473270 467159924 /nfs/dbraw/zinc/15/99/24/467159924.db2.gz VMNBQEXXIYGBAJ-UHFFFAOYSA-N 1 0 331.376 2.168 10 5 EEBERO COC(=O)c1cc(C)nc(NC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000450953740 467213784 /nfs/dbraw/zinc/21/37/84/467213784.db2.gz ZPDXHTFOUQJCDS-UHFFFAOYSA-N 1 0 336.392 2.371 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378218492 467232432 /nfs/dbraw/zinc/23/24/32/467232432.db2.gz BKURCRYIYPLFSO-HUUCEWRRSA-N 1 0 347.415 2.354 10 5 EEBERO CC(C)C1(c2ccccc2)C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000414199704 467389330 /nfs/dbraw/zinc/38/93/30/467389330.db2.gz ZGPGKRNMVNKGHE-QGZVFWFLSA-N 1 0 344.415 2.062 10 5 EEBERO CCC[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1CCOC ZINC000447677133 467588076 /nfs/dbraw/zinc/58/80/76/467588076.db2.gz HIHJUTGYXQVSEY-AWEZNQCLSA-N 1 0 347.419 2.408 10 5 EEBERO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000458199939 467788044 /nfs/dbraw/zinc/78/80/44/467788044.db2.gz FLQAPEMNGNGPBF-LLVKDONJSA-N 1 0 341.358 2.264 10 5 EEBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600471546 468567025 /nfs/dbraw/zinc/56/70/25/468567025.db2.gz LIZXYKNPLWKKBN-ZDUSSCGKSA-N 1 0 343.387 2.218 10 5 EEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594451981 468593857 /nfs/dbraw/zinc/59/38/57/468593857.db2.gz VTWMBRIURNNNCT-GMSGAONNSA-N 1 0 337.323 2.081 10 5 EEBERO CCOC(=O)Cc1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000594591239 468629847 /nfs/dbraw/zinc/62/98/47/468629847.db2.gz IQHRVIGYIRTOOP-OKILXGFUSA-N 1 0 335.404 2.453 10 5 EEBERO Cc1ccc(C2([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCC2)cc1 ZINC000592189340 468650546 /nfs/dbraw/zinc/65/05/46/468650546.db2.gz SFCLIMZVFPCPTL-MRXNPFEDSA-N 1 0 330.388 2.130 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1c(Br)cncc1[N+](=O)[O-])C2 ZINC000600955581 468695910 /nfs/dbraw/zinc/69/59/10/468695910.db2.gz CUPYWAOYLLPFNC-BETUJISGSA-N 1 0 341.209 2.188 10 5 EEBERO O=C(CC[N@@H+]1CC[C@H](OC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000558862572 468718702 /nfs/dbraw/zinc/71/87/02/468718702.db2.gz ALFKVXIARLZOFE-JTQLQIEISA-N 1 0 329.303 2.237 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000595042568 468748506 /nfs/dbraw/zinc/74/85/06/468748506.db2.gz SVGYLBYOJYELGW-ZFWWWQNUSA-N 1 0 337.420 2.101 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCO[C@@H]2CC2(F)F)n1 ZINC000595066770 468751686 /nfs/dbraw/zinc/75/16/86/468751686.db2.gz BMUUKISTFIKBON-QJPTWQEYSA-N 1 0 330.335 2.289 10 5 EEBERO C[NH+](C)C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000601188440 468775919 /nfs/dbraw/zinc/77/59/19/468775919.db2.gz GOWFLTOOKKVQEB-QGZVFWFLSA-N 1 0 330.388 2.036 10 5 EEBERO CC1([NH+]2CCCC2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000601216877 468785064 /nfs/dbraw/zinc/78/50/64/468785064.db2.gz YFLUYDFSXGMYPC-UHFFFAOYSA-N 1 0 330.392 2.092 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000595253014 468793432 /nfs/dbraw/zinc/79/34/32/468793432.db2.gz KVMBLJCTTSRPAS-INIZCTEOSA-N 1 0 341.367 2.454 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333489 468829806 /nfs/dbraw/zinc/82/98/06/468829806.db2.gz DVXOXDVHXVAQFC-PBHICJAKSA-N 1 0 346.431 2.306 10 5 EEBERO COc1ccc(OCCN2CCC[C@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000601335344 468830498 /nfs/dbraw/zinc/83/04/98/468830498.db2.gz SMYDLAKXNXHQQA-ZFWWWQNUSA-N 1 0 335.404 2.056 10 5 EEBERO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])s1 ZINC000601337889 468831797 /nfs/dbraw/zinc/83/17/97/468831797.db2.gz JYFNUTRFMXQFLO-UHFFFAOYSA-N 1 0 347.462 2.117 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1 ZINC000593026538 468844888 /nfs/dbraw/zinc/84/48/88/468844888.db2.gz CKKVQXLFDRHTAI-AWEZNQCLSA-N 1 0 342.351 2.344 10 5 EEBERO COc1ccc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000593041442 468848506 /nfs/dbraw/zinc/84/85/06/468848506.db2.gz OYZNITUKLSLIBL-UHFFFAOYSA-N 1 0 331.376 2.075 10 5 EEBERO Cc1c(CC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000598541156 468907553 /nfs/dbraw/zinc/90/75/53/468907553.db2.gz SVCFXKKPYVNIGG-MRXNPFEDSA-N 1 0 349.431 2.015 10 5 EEBERO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000598644884 468943103 /nfs/dbraw/zinc/94/31/03/468943103.db2.gz TYLGTBLUKBWSIB-QGZVFWFLSA-N 1 0 346.408 2.397 10 5 EEBERO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595686431 468954861 /nfs/dbraw/zinc/95/48/61/468954861.db2.gz ZPMBRHNXKITCBD-BBRMVZONSA-N 1 0 336.367 2.278 10 5 EEBERO CC(C)NC(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595850784 469044040 /nfs/dbraw/zinc/04/40/40/469044040.db2.gz OSOAKOMUJKWOAB-AWEZNQCLSA-N 1 0 335.404 2.210 10 5 EEBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+](C)CC(C)C ZINC000593616586 469059857 /nfs/dbraw/zinc/05/98/57/469059857.db2.gz OXJCHTZILNVLES-UHFFFAOYSA-N 1 0 343.449 2.159 10 5 EEBERO O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598967774 469070841 /nfs/dbraw/zinc/07/08/41/469070841.db2.gz VEQRDPQSLDCBKL-MRXNPFEDSA-N 1 0 332.404 2.411 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905277 469074933 /nfs/dbraw/zinc/07/49/33/469074933.db2.gz RUIXWUXZUZQBPS-MRXNPFEDSA-N 1 0 337.420 2.146 10 5 EEBERO COc1cc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000601972746 469120128 /nfs/dbraw/zinc/12/01/28/469120128.db2.gz OHYDJDLFLRBCJH-CYBMUJFWSA-N 1 0 337.420 2.480 10 5 EEBERO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000611268891 469213931 /nfs/dbraw/zinc/21/39/31/469213931.db2.gz YDSSACFBVCFGFR-AWEZNQCLSA-N 1 0 333.388 2.035 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000596425675 469262729 /nfs/dbraw/zinc/26/27/29/469262729.db2.gz UNKONLALRKDRGU-UHFFFAOYSA-N 1 0 331.420 2.438 10 5 EEBERO O=[N+]([O-])c1cnccc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596436278 469266106 /nfs/dbraw/zinc/26/61/06/469266106.db2.gz JZGFWYANPFVKFM-UHFFFAOYSA-N 1 0 327.388 2.131 10 5 EEBERO Nc1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000596480926 469280015 /nfs/dbraw/zinc/28/00/15/469280015.db2.gz TYIAEFVTPIACBJ-CYBMUJFWSA-N 1 0 334.420 2.488 10 5 EEBERO O=C(CC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000599639615 469318997 /nfs/dbraw/zinc/31/89/97/469318997.db2.gz JZQYFRMQBXFRAO-SUMWQHHRSA-N 1 0 333.388 2.018 10 5 EEBERO COC(=O)[C@@](C)(NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599644601 469322174 /nfs/dbraw/zinc/32/21/74/469322174.db2.gz UVOGFSXVCOZSGV-KRWDZBQOSA-N 1 0 335.404 2.059 10 5 EEBERO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000776812830 577468417 /nfs/dbraw/zinc/46/84/17/577468417.db2.gz NMBRKADDBAFCBJ-HUUCEWRRSA-N 1 0 344.795 2.158 10 5 EEBERO Cn1nc2c(c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)CSCC2 ZINC000894767166 683081514 /nfs/dbraw/zinc/08/15/14/683081514.db2.gz UFQDIOAOSNWKJD-UHFFFAOYSA-N 1 0 347.444 2.083 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928443065 683171094 /nfs/dbraw/zinc/17/10/94/683171094.db2.gz SLWMJPVDBXTHMO-PELKAZGASA-N 1 0 329.759 2.139 10 5 EEBERO Cc1nc(C(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001690985775 1176424287 /nfs/dbraw/zinc/42/42/87/1176424287.db2.gz SRTUARDCWRNORM-UHFFFAOYSA-N 1 0 332.360 2.061 10 5 EEBERO CC[N@H+](CCNC(=O)c1conc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001691039315 1176940878 /nfs/dbraw/zinc/94/08/78/1176940878.db2.gz ZVVIJDJIWHVYNV-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO COCC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691104700 1177582308 /nfs/dbraw/zinc/58/23/08/1177582308.db2.gz BEJZZSXWQVGMHM-OTVXOJSOSA-N 1 0 349.431 2.252 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ocnc1C1CC1 ZINC001267428997 1178996475 /nfs/dbraw/zinc/99/64/75/1178996475.db2.gz KFJPXVHTFGFETC-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO CCC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001268044105 1181495216 /nfs/dbraw/zinc/49/52/16/1181495216.db2.gz XGZJJQAPKDOLCA-FZZYSBJUSA-N 1 0 335.448 2.322 10 5 EEBERO Cc1ncc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001493493205 1183092924 /nfs/dbraw/zinc/09/29/24/1183092924.db2.gz VABKQEFYJJGLQS-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO O=C(CC(F)(F)F)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269384296 1184223771 /nfs/dbraw/zinc/22/37/71/1184223771.db2.gz YUJXLVVWQBNDTA-UHFFFAOYSA-N 1 0 331.294 2.286 10 5 EEBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCC2CCCC2)CC1 ZINC001484135848 1191227214 /nfs/dbraw/zinc/22/72/14/1191227214.db2.gz LMGUMMCSTQAXEL-HZPDHXFCSA-N 1 0 337.464 2.450 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871151243 1201070099 /nfs/dbraw/zinc/07/00/99/1201070099.db2.gz ZIGUENRHMBNLLG-UHFFFAOYSA-N 1 0 334.420 2.217 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000866050300 1201414560 /nfs/dbraw/zinc/41/45/60/1201414560.db2.gz YNGIRLUNRQWXJW-WFASDCNBSA-N 1 0 337.395 2.465 10 5 EEBERO CCOC(=O)Cc1ccc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866208410 1201465408 /nfs/dbraw/zinc/46/54/08/1201465408.db2.gz IYSBFYFCCCPMEE-LSDHHAIUSA-N 1 0 347.415 2.231 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000866258218 1201477410 /nfs/dbraw/zinc/47/74/10/1201477410.db2.gz RVWJLOONXINWCG-UHFFFAOYSA-N 1 0 335.404 2.152 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926092916 1206190629 /nfs/dbraw/zinc/19/06/29/1206190629.db2.gz HUCJPWPAJKVLNX-MRXNPFEDSA-N 1 0 334.376 2.353 10 5 EEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COC1CC[NH+](C)CC1 ZINC000930556867 1206567192 /nfs/dbraw/zinc/56/71/92/1206567192.db2.gz WJHHSBZPTDEHTD-UHFFFAOYSA-N 1 0 349.431 2.443 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000719385282 1213144706 /nfs/dbraw/zinc/14/47/06/1213144706.db2.gz NMDGFDYILCRFNZ-WCBMZHEXSA-N 1 0 342.193 2.180 10 5 EEBERO C[NH2+]CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000903569919 1240975649 /nfs/dbraw/zinc/97/56/49/1240975649.db2.gz OXGHCNIJNMWDNE-UHFFFAOYSA-N 1 0 328.800 2.117 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972461 1242803408 /nfs/dbraw/zinc/80/34/08/1242803408.db2.gz JAHANWLSIWKCLH-CQSZACIVSA-N 1 0 339.823 2.497 10 5 EEBERO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ncnn21 ZINC000850499615 1277247291 /nfs/dbraw/zinc/24/72/91/1277247291.db2.gz SRZRPAVOXLHFDV-WBMJQRKESA-N 1 0 342.403 2.451 10 5 EEBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000852561794 1292134570 /nfs/dbraw/zinc/13/45/70/1292134570.db2.gz UZYPQJQYJQGPGN-BMGDILEWSA-N 1 0 344.415 2.363 10 5 EEBERO NC(=O)CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000853128230 1292290893 /nfs/dbraw/zinc/29/08/93/1292290893.db2.gz ZNDUIYYPMQAIJT-HNNXBMFYSA-N 1 0 335.404 2.044 10 5 EEBERO CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000856592921 1293575925 /nfs/dbraw/zinc/57/59/25/1293575925.db2.gz ODAYGBWDQAMUSR-KRWDZBQOSA-N 1 0 346.387 2.110 10 5 EEBERO C[NH2+]C[C@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764516 1293910509 /nfs/dbraw/zinc/91/05/09/1293910509.db2.gz RYXOSIDIHDPKDA-LLVKDONJSA-N 1 0 343.330 2.024 10 5 EEBERO C[NH+](C)C[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000863037044 1296094134 /nfs/dbraw/zinc/09/41/34/1296094134.db2.gz GIQSICAFKDMPFI-JIMOISOXSA-N 1 0 346.214 2.378 10 5 EEBERO CCC(=O)N1CCC([N@H+](CCOC)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001277398088 1302850869 /nfs/dbraw/zinc/85/08/69/1302850869.db2.gz BPKXJFRZPDGTJG-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001293349259 1328682243 /nfs/dbraw/zinc/68/22/43/1328682243.db2.gz BZBMPDXGAJEKDC-GFCCVEGCSA-N 1 0 349.435 2.202 10 5 EEBERO Cc1ccc(CC[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)cc1 ZINC001278907728 1318631509 /nfs/dbraw/zinc/63/15/09/1318631509.db2.gz HYLWSQJGYNILTJ-QZTJIDSGSA-N 1 0 347.459 2.372 10 5 EEBERO COCCC(=O)N1CCC(C)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001281480744 1325153012 /nfs/dbraw/zinc/15/30/12/1325153012.db2.gz RMPZLGHAHYHTHS-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO CN(C)c1cc[nH+]c(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC001288872073 1327968941 /nfs/dbraw/zinc/96/89/41/1327968941.db2.gz OAOYUBUGYHRZSL-YVMONPNESA-N 1 0 326.356 2.385 10 5 EEBERO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001302479915 1331328166 /nfs/dbraw/zinc/32/81/66/1331328166.db2.gz YXMMJPQGCUGCKL-CQSZACIVSA-N 1 0 349.435 2.055 10 5 EEBERO C[NH+](C)CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001303475219 1331355377 /nfs/dbraw/zinc/35/53/77/1331355377.db2.gz AIJHKQSCAXVEMA-XYPHTWIQSA-N 1 0 331.416 2.499 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncoc1C1CC1 ZINC001317651065 1332349436 /nfs/dbraw/zinc/34/94/36/1332349436.db2.gz SWNDUODFMJDMAO-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=COCCC1 ZINC001321002675 1332995739 /nfs/dbraw/zinc/99/57/39/1332995739.db2.gz XPYJAPWJHDJGKZ-UPHRSURJSA-N 1 0 331.372 2.051 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cncs1 ZINC001322429335 1333262778 /nfs/dbraw/zinc/26/27/78/1333262778.db2.gz XIJWXEYCHSYRNO-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO Cc1cc(F)ccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327212156 1334246442 /nfs/dbraw/zinc/24/64/42/1334246442.db2.gz CCWUNQXVTCDDNJ-HZPDHXFCSA-N 1 0 337.395 2.080 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](C(C)(C)C)CC1 ZINC001330324394 1334823632 /nfs/dbraw/zinc/82/36/32/1334823632.db2.gz TZABRXHJFFMGIW-UHFFFAOYSA-N 1 0 335.330 2.268 10 5 EEBERO COC[C@@H]1CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479349 1338705301 /nfs/dbraw/zinc/70/53/01/1338705301.db2.gz XPMDZUHIIAKHAR-RHSMWYFYSA-N 1 0 347.415 2.227 10 5 EEBERO Cc1nc(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)ncc1[N+](=O)[O-] ZINC001613088574 1352313575 /nfs/dbraw/zinc/31/35/75/1352313575.db2.gz ZMJILWNCMOVQAT-ZDUSSCGKSA-N 1 0 333.779 2.498 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001585616157 1348808172 /nfs/dbraw/zinc/80/81/72/1348808172.db2.gz AEDKBKUWRRQNCW-UHFFFAOYSA-N 1 0 343.387 2.179 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001627632458 1352504637 /nfs/dbraw/zinc/50/46/37/1352504637.db2.gz ARJYKBCQRMGIRH-LBPRGKRZSA-N 1 0 342.399 2.402 10 5 EEBERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001635813328 1352653283 /nfs/dbraw/zinc/65/32/83/1352653283.db2.gz DSLDQMQMRJCVJO-HZMBPMFUSA-N 1 0 337.807 2.390 10 5 EEBERO C[C@H](CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[NH+](C)C ZINC001640241215 1352707889 /nfs/dbraw/zinc/70/78/89/1352707889.db2.gz YQDYAKPYIPRLGL-LLVKDONJSA-N 1 0 330.388 2.400 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC([NH2+][C@@H]3CCOC3)C2)cc1C(F)(F)F ZINC001643236910 1352743850 /nfs/dbraw/zinc/74/38/50/1352743850.db2.gz DRJLPHHIXSWEJL-SECBINFHSA-N 1 0 331.294 2.181 10 5 EEBERO CC(C)[NH+]1CCC(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC001643601103 1352750783 /nfs/dbraw/zinc/75/07/83/1352750783.db2.gz MVAIPJLEPXVHBB-GOSISDBHSA-N 1 0 349.431 2.039 10 5 EEBERO C[N@@H+]1C[C@@]23CN(C[C@@H](O)c4cccc([N+](=O)[O-])c4)C[C@]2(C1)CCCC3 ZINC001660700424 1354520186 /nfs/dbraw/zinc/52/01/86/1354520186.db2.gz JEIRSSRSDQMWEB-QRVBRYPASA-N 1 0 345.443 2.436 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)[nH]1 ZINC001664174164 1355106973 /nfs/dbraw/zinc/10/69/73/1355106973.db2.gz OZAWWEOQSSRUIO-UHFFFAOYSA-N 1 0 336.779 2.438 10 5 EEBERO CC/C=C(/C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001666274636 1355501095 /nfs/dbraw/zinc/50/10/95/1355501095.db2.gz GMXOWDMPNXTFRL-UXKQBXRZSA-N 1 0 349.435 2.202 10 5 EEBERO CC(C)=CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001672947247 1356620906 /nfs/dbraw/zinc/62/09/06/1356620906.db2.gz DRJCHCOHOWUCGQ-HDJSIYSDSA-N 1 0 349.435 2.059 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000842775297 787315868 /nfs/dbraw/zinc/31/58/68/787315868.db2.gz NUSMHMVOLJGNOY-UHFFFAOYSA-N 1 0 347.824 2.059 10 5 EEBERO COCC[NH2+]C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000844901827 789442429 /nfs/dbraw/zinc/44/24/29/789442429.db2.gz ZKZOJTZENUWVIJ-UHFFFAOYSA-N 1 0 327.812 2.449 10 5 EEBERO CC[N@@H+]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178860566 799680813 /nfs/dbraw/zinc/68/08/13/799680813.db2.gz FOICJYFPFJRUPS-OAHLLOKOSA-N 1 0 335.404 2.210 10 5 EEBERO CCOC(=O)CC1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000789388928 807962952 /nfs/dbraw/zinc/96/29/52/807962952.db2.gz RBIIMNCOLLXKSZ-HNNXBMFYSA-N 1 0 336.388 2.484 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c(F)c1 ZINC001451392082 1097627935 /nfs/dbraw/zinc/62/79/35/1097627935.db2.gz OQFOCWGWZAHNIM-UHFFFAOYSA-N 1 0 334.307 2.148 10 5 EEBERO Cc1nocc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479794220 1099004308 /nfs/dbraw/zinc/00/43/08/1099004308.db2.gz WQAWGSLDUSZXLD-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO COCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001480214120 1099825640 /nfs/dbraw/zinc/82/56/40/1099825640.db2.gz IFGPIUAZSMECAL-OKILXGFUSA-N 1 0 335.404 2.004 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1(NC(=O)CC2(C)CC2)CCCC1 ZINC001495170879 1100845402 /nfs/dbraw/zinc/84/54/02/1100845402.db2.gz LPWAGAAFDWPXHO-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn(C)c1 ZINC001497373036 1102398328 /nfs/dbraw/zinc/39/83/28/1102398328.db2.gz GYCBCVOCHHFHCE-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO CN(CC(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC001452610726 1105603326 /nfs/dbraw/zinc/60/33/26/1105603326.db2.gz QJEGPEQQVOZYAP-INIZCTEOSA-N 1 0 348.447 2.220 10 5 EEBERO CCc1cc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001498516108 1107663002 /nfs/dbraw/zinc/66/30/02/1107663002.db2.gz FYEQUTDDXBSEFV-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO CC[N@@H+]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001471466333 1110522790 /nfs/dbraw/zinc/52/27/90/1110522790.db2.gz VDRYCOJWWAQAIU-ZIAGYGMSSA-N 1 0 334.420 2.434 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001473416740 1110575266 /nfs/dbraw/zinc/57/52/66/1110575266.db2.gz SKPXPDYENQTQSB-UHFFFAOYSA-N 1 0 333.348 2.182 10 5 EEBERO C[C@@H](C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001538925507 1124039175 /nfs/dbraw/zinc/03/91/75/1124039175.db2.gz YEZHFNHEZPNKGJ-QFSBIZTOSA-N 1 0 335.379 2.248 10 5 EEBERO COc1ccc(OCCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000173748104 231022803 /nfs/dbraw/zinc/02/28/03/231022803.db2.gz DHFMPAHDVDJCMY-ZIAGYGMSSA-N 1 0 335.404 2.151 10 5 EEBERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174104808 231122082 /nfs/dbraw/zinc/12/20/82/231122082.db2.gz GRDDVEOAGGPYDK-BBRMVZONSA-N 1 0 330.388 2.312 10 5 EEBERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000040713450 213373477 /nfs/dbraw/zinc/37/34/77/213373477.db2.gz YQYWHBHSQGWZEU-WCABBAIRSA-N 1 0 341.209 2.316 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445814978 242133532 /nfs/dbraw/zinc/13/35/32/242133532.db2.gz FKIFMQALTHCDSB-MAUKXSAKSA-N 1 0 343.383 2.470 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451900868 243300139 /nfs/dbraw/zinc/30/01/39/243300139.db2.gz MIIWCZOLHKUNLO-GUYCJALGSA-N 1 0 333.388 2.424 10 5 EEBERO CC1(C)COC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451806025 243270220 /nfs/dbraw/zinc/27/02/20/243270220.db2.gz CIEFCXXLWIPQDX-LBPRGKRZSA-N 1 0 327.768 2.201 10 5 EEBERO CC1(C)COC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451811899 243273028 /nfs/dbraw/zinc/27/30/28/243273028.db2.gz SFLQZCYAAREIGN-LBPRGKRZSA-N 1 0 327.768 2.201 10 5 EEBERO C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000079515323 217236549 /nfs/dbraw/zinc/23/65/49/217236549.db2.gz CXHFDNWQHHYLKB-GFCCVEGCSA-N 1 0 328.166 2.438 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000266561582 248360926 /nfs/dbraw/zinc/36/09/26/248360926.db2.gz XYRJDFVNFKKZSO-OAHLLOKOSA-N 1 0 334.376 2.190 10 5 EEBERO O=[N+]([O-])c1ccc2sc([S@@](=O)CC3CC[NH2+]CC3)nc2c1 ZINC000095092244 218279926 /nfs/dbraw/zinc/27/99/26/218279926.db2.gz AXMFVLSVCDLDDZ-OAQYLSRUSA-N 1 0 325.415 2.312 10 5 EEBERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000116928803 221012009 /nfs/dbraw/zinc/01/20/09/221012009.db2.gz ACXHUYCKLOMWAI-LLVKDONJSA-N 1 0 342.783 2.043 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+](C)C)cc1SC ZINC000264047652 256018150 /nfs/dbraw/zinc/01/81/50/256018150.db2.gz RTGARKJCPXGKLE-UHFFFAOYSA-N 1 0 341.433 2.397 10 5 EEBERO C[C@H](CN1CCOCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273025078 256258326 /nfs/dbraw/zinc/25/83/26/256258326.db2.gz CPWWPTGDGCNHRZ-CQSZACIVSA-N 1 0 347.415 2.054 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000063169391 132806078 /nfs/dbraw/zinc/80/60/78/132806078.db2.gz ULPGXMPHIRBHCV-JTQLQIEISA-N 1 0 329.198 2.331 10 5 EEBERO C[N@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000068901416 159023943 /nfs/dbraw/zinc/02/39/43/159023943.db2.gz WVZSWTXLZDFTAX-UHFFFAOYSA-N 1 0 335.404 2.354 10 5 EEBERO Cc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247322115 160319678 /nfs/dbraw/zinc/31/96/78/160319678.db2.gz ORNCJAOHDDJGPW-PWSUYJOCSA-N 1 0 348.359 2.120 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000346715469 161395544 /nfs/dbraw/zinc/39/55/44/161395544.db2.gz AOVIQBVVTROKSR-OAHLLOKOSA-N 1 0 335.404 2.086 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352417885 162128959 /nfs/dbraw/zinc/12/89/59/162128959.db2.gz VUAQQZKPRKOALH-HNNXBMFYSA-N 1 0 347.415 2.438 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000367711731 165995691 /nfs/dbraw/zinc/99/56/91/165995691.db2.gz FFHUTVRXESAXAG-VXGBXAGGSA-N 1 0 334.376 2.124 10 5 EEBERO C[C@@H]1C[N@@H+](CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000277367254 269151169 /nfs/dbraw/zinc/15/11/69/269151169.db2.gz BNFQOCGXJVLSSL-TXEJJXNPSA-N 1 0 333.392 2.382 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000191787761 274052288 /nfs/dbraw/zinc/05/22/88/274052288.db2.gz HYWXSTSTUQSGRK-AWEZNQCLSA-N 1 0 345.403 2.152 10 5 EEBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1-n1cccn1 ZINC000090538378 278349096 /nfs/dbraw/zinc/34/90/96/278349096.db2.gz ZPAVOYFUZJODGK-CYBMUJFWSA-N 1 0 326.360 2.328 10 5 EEBERO CC(C)[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](O)CO ZINC000421408073 314097729 /nfs/dbraw/zinc/09/77/29/314097729.db2.gz KCIXHEMWTWJAJM-OAHLLOKOSA-N 1 0 334.372 2.418 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000441273923 315177694 /nfs/dbraw/zinc/17/76/94/315177694.db2.gz DXTUUGORQYGYEA-CABCVRRESA-N 1 0 347.415 2.306 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000543357609 318156671 /nfs/dbraw/zinc/15/66/71/318156671.db2.gz YEOJCRYIRMNEKJ-UHFFFAOYSA-N 1 0 344.371 2.141 10 5 EEBERO CN(CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc[nH+]cc1 ZINC000565734680 319209354 /nfs/dbraw/zinc/20/93/54/319209354.db2.gz WGBWYDGBGKIDQX-UHFFFAOYSA-N 1 0 326.356 2.405 10 5 EEBERO Cc1c(Br)c(N[C@@H]2C[NH2+]CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000389794080 323543966 /nfs/dbraw/zinc/54/39/66/323543966.db2.gz NZVCFLRLSMXVDS-IONNQARKSA-N 1 0 329.198 2.471 10 5 EEBERO COc1cc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000581437357 324254556 /nfs/dbraw/zinc/25/45/56/324254556.db2.gz JKLZQJZHNRSIDO-AWEZNQCLSA-N 1 0 349.431 2.289 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000347647322 465147697 /nfs/dbraw/zinc/14/76/97/465147697.db2.gz HYGQOIFDSMTBTL-CQSZACIVSA-N 1 0 335.404 2.342 10 5 EEBERO CC[NH+](CC)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccco1 ZINC000347872424 465277868 /nfs/dbraw/zinc/27/78/68/465277868.db2.gz WXHFXQYMTYWEHM-GFCCVEGCSA-N 1 0 344.375 2.726 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000113222635 462578116 /nfs/dbraw/zinc/57/81/16/462578116.db2.gz LJEDVBKSDQQXNW-UONOGXRCSA-N 1 0 333.388 2.059 10 5 EEBERO NC(=O)c1ccc(C[NH+]2CCC(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000153730342 462685182 /nfs/dbraw/zinc/68/51/82/462685182.db2.gz QMNZCDCOPXXRQC-UHFFFAOYSA-N 1 0 347.415 2.332 10 5 EEBERO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000076184661 462818790 /nfs/dbraw/zinc/81/87/90/462818790.db2.gz CLHFKYMKPZMCOC-SNPRPXQTSA-N 1 0 334.376 2.218 10 5 EEBERO CC(C)C[NH+]1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047938682 462839883 /nfs/dbraw/zinc/83/98/83/462839883.db2.gz DSKUTYUUJWCMOF-UHFFFAOYSA-N 1 0 348.447 2.491 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000078524423 463124581 /nfs/dbraw/zinc/12/45/81/463124581.db2.gz WPPAHTAJVCFSKH-CQSZACIVSA-N 1 0 330.388 2.036 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000157452420 463132980 /nfs/dbraw/zinc/13/29/80/463132980.db2.gz BIYJZQVXXKMMIX-GFCCVEGCSA-N 1 0 330.388 2.077 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000080611653 463337195 /nfs/dbraw/zinc/33/71/95/463337195.db2.gz SBVOIJGADBLDEV-INIZCTEOSA-N 1 0 332.448 2.367 10 5 EEBERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000283173484 463791905 /nfs/dbraw/zinc/79/19/05/463791905.db2.gz DSESRZRTLQSZDI-KBPBESRZSA-N 1 0 334.420 2.338 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194754933 463922966 /nfs/dbraw/zinc/92/29/66/463922966.db2.gz LUYFRWYZFBNGEF-OKILXGFUSA-N 1 0 335.404 2.084 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178639157 463934166 /nfs/dbraw/zinc/93/41/66/463934166.db2.gz AXPIRIHPEOIGGI-OAHLLOKOSA-N 1 0 332.404 2.012 10 5 EEBERO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000172800646 464146018 /nfs/dbraw/zinc/14/60/18/464146018.db2.gz AYIXMZCCWTYELX-CQSZACIVSA-N 1 0 332.404 2.094 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC12CCOCC2 ZINC000591033033 468397136 /nfs/dbraw/zinc/39/71/36/468397136.db2.gz YUBAPRJLCXCCIQ-UHFFFAOYSA-N 1 0 349.387 2.187 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525513 464276384 /nfs/dbraw/zinc/27/63/84/464276384.db2.gz UYBICOMAETYGAQ-UONOGXRCSA-N 1 0 337.420 2.397 10 5 EEBERO COC[C@](C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292841443 464359260 /nfs/dbraw/zinc/35/92/60/464359260.db2.gz PSFBBIHMVIQFJA-ZDUSSCGKSA-N 1 0 336.310 2.491 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000175039810 464485039 /nfs/dbraw/zinc/48/50/39/464485039.db2.gz DPGPSIVDSQWJBO-RHSMWYFYSA-N 1 0 346.431 2.116 10 5 EEBERO C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599918825 468413334 /nfs/dbraw/zinc/41/33/34/468413334.db2.gz QVHSBRZKVWBUST-ZWNOBZJWSA-N 1 0 340.811 2.230 10 5 EEBERO CC[N@@H+]1CC[C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272503931 464636040 /nfs/dbraw/zinc/63/60/40/464636040.db2.gz HQVFPPMQRQYUMQ-YOEHRIQHSA-N 1 0 343.431 2.349 10 5 EEBERO COc1cc(NCCN2CCOC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000176969604 464895601 /nfs/dbraw/zinc/89/56/01/464895601.db2.gz ITFQRXODLNWDCM-UHFFFAOYSA-N 1 0 327.356 2.265 10 5 EEBERO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000184007564 464936465 /nfs/dbraw/zinc/93/64/65/464936465.db2.gz RFGXCOOTXXUKOU-HNNXBMFYSA-N 1 0 329.404 2.392 10 5 EEBERO CC[NH+]1CCN(c2cccc(Nc3ccncc3[N+](=O)[O-])c2)CC1 ZINC000361011808 465700655 /nfs/dbraw/zinc/70/06/55/465700655.db2.gz DGLPOITXBBWNRY-UHFFFAOYSA-N 1 0 327.388 2.297 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000357099029 465771916 /nfs/dbraw/zinc/77/19/16/465771916.db2.gz ULUMAPPXNVPAJA-QGZVFWFLSA-N 1 0 333.388 2.086 10 5 EEBERO C[C@@H]1C[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000331111931 465938408 /nfs/dbraw/zinc/93/84/08/465938408.db2.gz ISUMFUKIWAMERR-NXEZZACHSA-N 1 0 327.331 2.014 10 5 EEBERO Cc1c(Br)c(N2CCC(C)([NH3+])CC2)ncc1[N+](=O)[O-] ZINC000591434343 468468611 /nfs/dbraw/zinc/46/86/11/468468611.db2.gz AFMWGRBRJHNMCI-UHFFFAOYSA-N 1 0 329.198 2.378 10 5 EEBERO Cc1cc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)on1 ZINC000353980228 466298439 /nfs/dbraw/zinc/29/84/39/466298439.db2.gz ALFVBZKSJBPZLJ-LLVKDONJSA-N 1 0 332.360 2.441 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000350316042 466460727 /nfs/dbraw/zinc/46/07/27/466460727.db2.gz JWMKDDCSBCWMFK-UHFFFAOYSA-N 1 0 325.368 2.479 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000373759123 466912313 /nfs/dbraw/zinc/91/23/13/466912313.db2.gz HIMXYZYJSXMCTP-HIFRSBDPSA-N 1 0 333.388 2.094 10 5 EEBERO COc1cc(C[N@H+](C)C(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000412101184 467009461 /nfs/dbraw/zinc/00/94/61/467009461.db2.gz UACRSAUANNZPEJ-UHFFFAOYSA-N 1 0 337.420 2.146 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000418994085 467160802 /nfs/dbraw/zinc/16/08/02/467160802.db2.gz HJEZHJXJNZHPFL-STQMWFEESA-N 1 0 330.388 2.034 10 5 EEBERO Cc1ncccc1OC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000419406423 467195141 /nfs/dbraw/zinc/19/51/41/467195141.db2.gz WTHZEOQXTPFRGN-CQSZACIVSA-N 1 0 331.376 2.038 10 5 EEBERO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000448965646 467608455 /nfs/dbraw/zinc/60/84/55/467608455.db2.gz YCFKKQSHCLUZCN-NSHDSACASA-N 1 0 337.351 2.051 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000449433989 467644711 /nfs/dbraw/zinc/64/47/11/467644711.db2.gz OSSJYPCGMWDPQM-USEVKITMSA-N 1 0 332.400 2.470 10 5 EEBERO O=C(C1C[NH+](C2CCCCC2)C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000457704290 467683856 /nfs/dbraw/zinc/68/38/56/467683856.db2.gz JVDNLANIXDBQFO-UHFFFAOYSA-N 1 0 344.415 2.139 10 5 EEBERO CC[NH+]1CCN([C@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487928409 468060630 /nfs/dbraw/zinc/06/06/30/468060630.db2.gz IPQCJUFLRDRNRG-CQSZACIVSA-N 1 0 343.431 2.003 10 5 EEBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531883849 468082910 /nfs/dbraw/zinc/08/29/10/468082910.db2.gz RZVZJNWKUCLWEE-NFAWXSAZSA-N 1 0 332.404 2.467 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600472701 468567783 /nfs/dbraw/zinc/56/77/83/468567783.db2.gz OKGOKLQQAWTIQD-AWEZNQCLSA-N 1 0 333.388 2.107 10 5 EEBERO C[C@]1(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594733281 468667167 /nfs/dbraw/zinc/66/71/67/468667167.db2.gz UERQCNUXQAOTLX-JSGCOSHPSA-N 1 0 330.331 2.360 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476061 468706695 /nfs/dbraw/zinc/70/66/95/468706695.db2.gz NZAKFTRFRNHNEV-HOCLYGCPSA-N 1 0 346.431 2.306 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595089758 468757163 /nfs/dbraw/zinc/75/71/63/468757163.db2.gz KROSFNYSSWZIQB-UGFHNGPFSA-N 1 0 333.388 2.205 10 5 EEBERO COc1ccc(OCCN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000601335342 468830826 /nfs/dbraw/zinc/83/08/26/468830826.db2.gz SMYDLAKXNXHQQA-HIFRSBDPSA-N 1 0 335.404 2.056 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000595381472 468833719 /nfs/dbraw/zinc/83/37/19/468833719.db2.gz LYOJJAVZMJGYHI-UHFFFAOYSA-N 1 0 343.449 2.302 10 5 EEBERO Cc1sc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598539346 468905901 /nfs/dbraw/zinc/90/59/01/468905901.db2.gz HRXYRTBSKJIHKS-LBPRGKRZSA-N 1 0 341.433 2.148 10 5 EEBERO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000595617952 468924688 /nfs/dbraw/zinc/92/46/88/468924688.db2.gz YYINOMZNXBQNHP-CQSZACIVSA-N 1 0 335.360 2.267 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595635485 468932952 /nfs/dbraw/zinc/93/29/52/468932952.db2.gz VJZWYFIKYDSKEU-ZOWXZIJZSA-N 1 0 326.368 2.390 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000595672528 468948301 /nfs/dbraw/zinc/94/83/01/468948301.db2.gz ADDGCUUHKZUMOQ-ZBFHGGJFSA-N 1 0 346.387 2.363 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755017 468991104 /nfs/dbraw/zinc/99/11/04/468991104.db2.gz DZEBXTIFKOVLCB-UONOGXRCSA-N 1 0 326.368 2.406 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595761715 468993747 /nfs/dbraw/zinc/99/37/47/468993747.db2.gz ZGNSSNWLIOHEEA-AHIWAGSCSA-N 1 0 333.388 2.199 10 5 EEBERO Cc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1[N+](=O)[O-] ZINC000595924262 469085750 /nfs/dbraw/zinc/08/57/50/469085750.db2.gz JQUPZDSNPIOYHF-ZDUSSCGKSA-N 1 0 344.375 2.062 10 5 EEBERO CNc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595933612 469090664 /nfs/dbraw/zinc/09/06/64/469090664.db2.gz INSZFOZZSPXWAC-OAHLLOKOSA-N 1 0 346.431 2.488 10 5 EEBERO C[C@@H]1C[C@H](N2CCOCC2)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599082375 469110156 /nfs/dbraw/zinc/11/01/56/469110156.db2.gz QBKBPZJIKNOSEV-HIFRSBDPSA-N 1 0 342.399 2.442 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)CC3(O)CCC3)C2)cc1 ZINC000599433922 469255052 /nfs/dbraw/zinc/25/50/52/469255052.db2.gz MYUAKYAOTYQALL-NVXWUHKLSA-N 1 0 334.416 2.440 10 5 EEBERO CN1CCN(Cc2ccccc2)[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000596551385 469298649 /nfs/dbraw/zinc/29/86/49/469298649.db2.gz JTQSCHSWWJVTFZ-INIZCTEOSA-N 1 0 341.415 2.218 10 5 EEBERO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595257215 490677600 /nfs/dbraw/zinc/67/76/00/490677600.db2.gz IWTIVQKFYCQOPV-KRWDZBQOSA-N 1 0 341.367 2.437 10 5 EEBERO COc1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415451485 534107883 /nfs/dbraw/zinc/10/78/83/534107883.db2.gz XHXORSNJPDXMLZ-MRXNPFEDSA-N 1 0 334.376 2.211 10 5 EEBERO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761972738 577692544 /nfs/dbraw/zinc/69/25/44/577692544.db2.gz DUBXIQBGZVRDTF-UHFFFAOYSA-N 1 0 342.399 2.236 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C[C@]2(C)C1 ZINC000933735367 676840808 /nfs/dbraw/zinc/84/08/08/676840808.db2.gz WKGPYKPMRFADFI-PXAZEXFGSA-N 1 0 343.387 2.028 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914290848 683462580 /nfs/dbraw/zinc/46/25/80/683462580.db2.gz BEYRQJFLYHCDOA-HNNXBMFYSA-N 1 0 340.401 2.098 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1C ZINC000898107503 691871545 /nfs/dbraw/zinc/87/15/45/691871545.db2.gz XTIULZROJCQJAP-UHFFFAOYSA-N 1 0 347.415 2.148 10 5 EEBERO COc1ccc(CC(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898840323 693488278 /nfs/dbraw/zinc/48/82/78/693488278.db2.gz ILVNINYFMBMTFO-HOTGVXAUSA-N 1 0 347.415 2.135 10 5 EEBERO CC[N@H+](CCNC(=O)c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691005890 1176481355 /nfs/dbraw/zinc/48/13/55/1176481355.db2.gz FBNNPZZQKQQNBY-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\c1ccco1 ZINC001266629620 1177024581 /nfs/dbraw/zinc/02/45/81/1177024581.db2.gz LRIXBSKRXOVDNU-HJWRWDBZSA-N 1 0 329.356 2.449 10 5 EEBERO Cc1cccnc1C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001268525999 1183179602 /nfs/dbraw/zinc/17/96/02/1183179602.db2.gz PDNAXXPNQDBNDT-IHWYPQMZSA-N 1 0 340.383 2.374 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc(F)c2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270743251 1185359851 /nfs/dbraw/zinc/35/98/51/1185359851.db2.gz KSIKWNYIXBQGAP-HUUCEWRRSA-N 1 0 335.379 2.010 10 5 EEBERO Cc1cnccc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001483005588 1187988163 /nfs/dbraw/zinc/98/81/63/1187988163.db2.gz BYVQFXVFABRNGT-NSCUHMNNSA-N 1 0 340.383 2.374 10 5 EEBERO CC(C)n1nccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001493566931 1191544419 /nfs/dbraw/zinc/54/44/19/1191544419.db2.gz ZXHUUTQCCMDFOU-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000701470984 1195378685 /nfs/dbraw/zinc/37/86/85/1195378685.db2.gz YIVULIWCPJAXJV-UHFFFAOYSA-N 1 0 342.193 2.180 10 5 EEBERO CCC(CC)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000872226231 1198097419 /nfs/dbraw/zinc/09/74/19/1198097419.db2.gz FDWMCJRBXJRAHL-LLVKDONJSA-N 1 0 338.330 2.111 10 5 EEBERO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1O ZINC000865784123 1198374542 /nfs/dbraw/zinc/37/45/42/1198374542.db2.gz AASDXCGBYBXLGS-JSGCOSHPSA-N 1 0 336.388 2.461 10 5 EEBERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000874827788 1199022345 /nfs/dbraw/zinc/02/23/45/1199022345.db2.gz UDCHRVBDJIGCEV-YVSFHVDLSA-N 1 0 329.400 2.393 10 5 EEBERO CC(C)[C@@](C)(CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000810075426 1199238579 /nfs/dbraw/zinc/23/85/79/1199238579.db2.gz LLLMAHUEGJEADX-OAHLLOKOSA-N 1 0 327.356 2.059 10 5 EEBERO CC[N@H+](CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000925295123 1206092232 /nfs/dbraw/zinc/09/22/32/1206092232.db2.gz JFLJCXHGNUUJBT-KRWDZBQOSA-N 1 0 348.403 2.092 10 5 EEBERO CC[C@](O)(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000929986597 1206525683 /nfs/dbraw/zinc/52/56/83/1206525683.db2.gz HMZABJLYYXTDMJ-MFKMUULPSA-N 1 0 348.325 2.179 10 5 EEBERO C[N@H+](CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000930648209 1206572921 /nfs/dbraw/zinc/57/29/21/1206572921.db2.gz HQQIALQSDTYWDX-UHFFFAOYSA-N 1 0 325.796 2.391 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001198685334 1285297046 /nfs/dbraw/zinc/29/70/46/1285297046.db2.gz IYTKUGGGMADADO-HOCLYGCPSA-N 1 0 333.388 2.227 10 5 EEBERO CC1(C)Cc2n[nH]cc2C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000854056175 1292602241 /nfs/dbraw/zinc/60/22/41/1292602241.db2.gz ZYYMFYWJPCMKGD-MRXNPFEDSA-N 1 0 330.388 2.436 10 5 EEBERO C[C@@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000857764752 1293910887 /nfs/dbraw/zinc/91/08/87/1293910887.db2.gz ZUFWXEQAWPFILJ-GHMZBOCLSA-N 1 0 343.330 2.071 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000927151177 1297038042 /nfs/dbraw/zinc/03/80/42/1297038042.db2.gz QKKIFGMUUHLAKC-YPMHNXCESA-N 1 0 345.403 2.330 10 5 EEBERO CCc1ocnc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277028463 1300943050 /nfs/dbraw/zinc/94/30/50/1300943050.db2.gz UGLSNKDNTWJNOO-UHFFFAOYSA-N 1 0 344.371 2.197 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cc(F)c[nH]1 ZINC001277120217 1301364094 /nfs/dbraw/zinc/36/40/94/1301364094.db2.gz VXKHGXGALHZYJH-UHFFFAOYSA-N 1 0 332.335 2.114 10 5 EEBERO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001118914539 1308958971 /nfs/dbraw/zinc/95/89/71/1308958971.db2.gz AMUJOQYBJYEWKP-HZPDHXFCSA-N 1 0 347.415 2.011 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001251305964 1317446437 /nfs/dbraw/zinc/44/64/37/1317446437.db2.gz ZKZKVELVVUONEJ-ZIAGYGMSSA-N 1 0 334.420 2.434 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1 ZINC001159070156 1319592997 /nfs/dbraw/zinc/59/29/97/1319592997.db2.gz GOGQKXKZDWJDJM-GFCCVEGCSA-N 1 0 332.404 2.245 10 5 EEBERO CC[N@H+](CCCNC(=O)c1csnn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266069096 1323623293 /nfs/dbraw/zinc/62/32/93/1323623293.db2.gz UGIMDBFNEBFISB-UHFFFAOYSA-N 1 0 349.416 2.088 10 5 EEBERO CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001283031237 1325890858 /nfs/dbraw/zinc/89/08/58/1325890858.db2.gz DHPPPBZSJCTMDU-HDJSIYSDSA-N 1 0 347.415 2.194 10 5 EEBERO C[NH+](C)C1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC001289980919 1328091113 /nfs/dbraw/zinc/09/11/13/1328091113.db2.gz RAEWBYSQZKUTMS-UHFFFAOYSA-N 1 0 346.431 2.118 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC1CC[NH+](C)CC1 ZINC001292650214 1328464856 /nfs/dbraw/zinc/46/48/56/1328464856.db2.gz IGCXMMVNTMPVJA-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1C ZINC001298676611 1330110940 /nfs/dbraw/zinc/11/09/40/1330110940.db2.gz IGHURCPWGSHJED-PHIMTYICSA-N 1 0 325.796 2.342 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)COC(C)(C)C ZINC001320715044 1332939215 /nfs/dbraw/zinc/93/92/15/1332939215.db2.gz KEZRCNNUTATBNM-UHFFFAOYSA-N 1 0 343.449 2.410 10 5 EEBERO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CC[NH+](C4CC4)CC3)c2c1 ZINC001323543611 1333485711 /nfs/dbraw/zinc/48/57/11/1333485711.db2.gz PIRYTRZTSJJIRG-UHFFFAOYSA-N 1 0 333.779 2.476 10 5 EEBERO CC(C(=O)N(CCO)CC[NH2+]Cc1ccccc1[N+](=O)[O-])=C1CCC1 ZINC001326020926 1334015755 /nfs/dbraw/zinc/01/57/55/1334015755.db2.gz FDKLJSZWHPOADI-UHFFFAOYSA-N 1 0 347.415 2.006 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC001351798686 1337850803 /nfs/dbraw/zinc/85/08/03/1337850803.db2.gz CJQDNQLXSNWWLU-GHMZBOCLSA-N 1 0 347.462 2.116 10 5 EEBERO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001556745598 1342433681 /nfs/dbraw/zinc/43/36/81/1342433681.db2.gz YSLAWEDIJVAULS-LBPRGKRZSA-N 1 0 325.796 2.343 10 5 EEBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001556976069 1342439189 /nfs/dbraw/zinc/43/91/89/1342439189.db2.gz HNIFAGWYGJRLMK-UHFFFAOYSA-N 1 0 329.360 2.194 10 5 EEBERO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001559306461 1342500823 /nfs/dbraw/zinc/50/08/23/1342500823.db2.gz UXRWFXSGVAURPK-HNNXBMFYSA-N 1 0 347.394 2.280 10 5 EEBERO Cc1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594215504 1349874910 /nfs/dbraw/zinc/87/49/10/1349874910.db2.gz WNGOYYOFYKXYTE-KGLIPLIRSA-N 1 0 348.359 2.120 10 5 EEBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001621217433 1352364990 /nfs/dbraw/zinc/36/49/90/1352364990.db2.gz XADRLFRDAYKXOI-OAHLLOKOSA-N 1 0 341.408 2.209 10 5 EEBERO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001628127014 1352522616 /nfs/dbraw/zinc/52/26/16/1352522616.db2.gz SDPNTRIMVYNXMG-VXGBXAGGSA-N 1 0 340.811 2.433 10 5 EEBERO CCOCCOC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001644337780 1352761308 /nfs/dbraw/zinc/76/13/08/1352761308.db2.gz BWHSZHVFLXTZAB-QGZVFWFLSA-N 1 0 338.404 2.146 10 5 EEBERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001651304717 1354048288 /nfs/dbraw/zinc/04/82/88/1354048288.db2.gz NTBKHXQEHLJGLS-KGLIPLIRSA-N 1 0 337.807 2.486 10 5 EEBERO CC[C@H](C)[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001654845228 1354159314 /nfs/dbraw/zinc/15/93/14/1354159314.db2.gz YDTVCLRVRYWYJQ-STQMWFEESA-N 1 0 343.449 2.240 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@]23CCCOC3)c([N+](=O)[O-])c1 ZINC001656575004 1354249600 /nfs/dbraw/zinc/24/96/00/1354249600.db2.gz YXBZJUHGLMASNP-KRWDZBQOSA-N 1 0 333.388 2.229 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1=CCOCC1 ZINC001673429284 1356690136 /nfs/dbraw/zinc/69/01/36/1356690136.db2.gz ABZCWIMKGKPUKM-UHFFFAOYSA-N 1 0 347.415 2.222 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)nc1 ZINC001698983538 1405200126 /nfs/dbraw/zinc/20/01/26/1405200126.db2.gz KPCMJWMSVMKQFJ-UHFFFAOYSA-N 1 0 346.362 2.333 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000918393415 769075476 /nfs/dbraw/zinc/07/54/76/769075476.db2.gz FLPDBAVHMPHYBZ-CQSZACIVSA-N 1 0 346.431 2.409 10 5 EEBERO C[C@H]1[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000919803445 770298722 /nfs/dbraw/zinc/29/87/22/770298722.db2.gz SXENHAUZGXPCDN-XJKSGUPXSA-N 1 0 334.420 2.309 10 5 EEBERO C[NH+]1CCC(OCc2nc(Cc3ccccc3[N+](=O)[O-])no2)CC1 ZINC000923761925 770945524 /nfs/dbraw/zinc/94/55/24/770945524.db2.gz WWIRJAQQPMSISI-UHFFFAOYSA-N 1 0 332.360 2.179 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000824583103 788246122 /nfs/dbraw/zinc/24/61/22/788246122.db2.gz HZNGULXJQWOCKS-AWEZNQCLSA-N 1 0 327.812 2.185 10 5 EEBERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000712331857 803194353 /nfs/dbraw/zinc/19/43/53/803194353.db2.gz ATUOCLMCIMNKLA-SECBINFHSA-N 1 0 342.193 2.181 10 5 EEBERO Cc1nn(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c2ncc([N+](=O)[O-])cc12 ZINC000789543710 808053856 /nfs/dbraw/zinc/05/38/56/808053856.db2.gz XCFGQJSJKDHYBB-MRXNPFEDSA-N 1 0 331.376 2.108 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc[nH]c1C ZINC001497367297 1102391724 /nfs/dbraw/zinc/39/17/24/1102391724.db2.gz MBLYOSUNJXQSOD-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc(C2CC2)o1 ZINC001493578681 1108348395 /nfs/dbraw/zinc/34/83/95/1108348395.db2.gz NQASVGOBTLKAFG-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001468858214 1110481232 /nfs/dbraw/zinc/48/12/32/1110481232.db2.gz YLFKPEXQKYXRCV-UHFFFAOYSA-N 1 0 348.428 2.443 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C12CCC2 ZINC001470564666 1110507885 /nfs/dbraw/zinc/50/78/85/1110507885.db2.gz GPJKSKVGXMVXNJ-CVEARBPZSA-N 1 0 346.431 2.386 10 5 EEBERO CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC001545090626 1124178961 /nfs/dbraw/zinc/17/89/61/1124178961.db2.gz JUBSXVGMVNJMKO-LBPRGKRZSA-N 1 0 325.796 2.343 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445814977 242133478 /nfs/dbraw/zinc/13/34/78/242133478.db2.gz FKIFMQALTHCDSB-CRAIPNDOSA-N 1 0 343.383 2.470 10 5 EEBERO CCNC(=O)N1CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468980464 245367567 /nfs/dbraw/zinc/36/75/67/245367567.db2.gz MHPVRNWJVUOELK-BMQCOBNYSA-N 1 0 332.404 2.392 10 5 EEBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552656 292219356 /nfs/dbraw/zinc/21/93/56/292219356.db2.gz HJRMWNQMQYFSQD-ZDUSSCGKSA-N 1 0 331.372 2.025 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000374221240 154008973 /nfs/dbraw/zinc/00/89/73/154008973.db2.gz VXDHXRVPDBKEBX-UHFFFAOYSA-N 1 0 331.416 2.472 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000248848957 160364208 /nfs/dbraw/zinc/36/42/08/160364208.db2.gz ACECJLLUTVLVRC-QGZVFWFLSA-N 1 0 342.399 2.236 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000110085998 159356622 /nfs/dbraw/zinc/35/66/22/159356622.db2.gz KEYRSFCUBXHKGW-ZDUSSCGKSA-N 1 0 336.392 2.136 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000343673208 161157440 /nfs/dbraw/zinc/15/74/40/161157440.db2.gz QJAQBOSIJIHNBM-QWRGUYRKSA-N 1 0 341.358 2.357 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000352370390 162107933 /nfs/dbraw/zinc/10/79/33/162107933.db2.gz GLYZGRMLEPNPBS-CQSZACIVSA-N 1 0 334.420 2.387 10 5 EEBERO COc1c[nH+]ccc1N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000355656239 163260951 /nfs/dbraw/zinc/26/09/51/163260951.db2.gz UXMJGTGMZWOZNK-UHFFFAOYSA-N 1 0 334.401 2.382 10 5 EEBERO CCN1CC[NH+](C[C@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359079011 164052698 /nfs/dbraw/zinc/05/26/98/164052698.db2.gz AJYDIPAWYMCRJD-CYBMUJFWSA-N 1 0 335.452 2.292 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000277408376 269153567 /nfs/dbraw/zinc/15/35/67/269153567.db2.gz HPVCQIHZCDKWFT-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000271874471 274162683 /nfs/dbraw/zinc/16/26/83/274162683.db2.gz STGOBFCHJIDAMZ-GFCCVEGCSA-N 1 0 343.387 2.021 10 5 EEBERO CCC(CC)(C[NH3+])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193276220 282074783 /nfs/dbraw/zinc/07/47/83/282074783.db2.gz ANLUPDWHULCMHE-UHFFFAOYSA-N 1 0 349.840 2.352 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000283700869 292977525 /nfs/dbraw/zinc/97/75/25/292977525.db2.gz CITYWYYHRFANER-NWDGAFQWSA-N 1 0 336.392 2.370 10 5 EEBERO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@@H](C)[C@H]1[NH3+] ZINC000297430468 294242358 /nfs/dbraw/zinc/24/23/58/294242358.db2.gz SUVSBIUWGJYSKZ-DCGLDWPTSA-N 1 0 346.431 2.393 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000570929652 319711251 /nfs/dbraw/zinc/71/12/51/319711251.db2.gz MGCUVPJCNUDFTP-QGZVFWFLSA-N 1 0 341.367 2.058 10 5 EEBERO COCC[NH2+]C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000578368102 320310664 /nfs/dbraw/zinc/31/06/64/320310664.db2.gz BOEXWNQRVAUBFX-UHFFFAOYSA-N 1 0 327.812 2.449 10 5 EEBERO CC(C)[C@](C)([NH3+])CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000075612234 462740052 /nfs/dbraw/zinc/74/00/52/462740052.db2.gz FTYUXUNSHCBPSM-QGZVFWFLSA-N 1 0 345.403 2.345 10 5 EEBERO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000095416556 463080096 /nfs/dbraw/zinc/08/00/96/463080096.db2.gz HCIBZSULPOJTDQ-ZDUSSCGKSA-N 1 0 335.404 2.468 10 5 EEBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CCC(=O)N2 ZINC000097033115 463306957 /nfs/dbraw/zinc/30/69/57/463306957.db2.gz DDGXUNZGYOROSW-LLVKDONJSA-N 1 0 329.360 2.027 10 5 EEBERO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000125411738 463541025 /nfs/dbraw/zinc/54/10/25/463541025.db2.gz VGKIFMLGYZFNDL-ZDUSSCGKSA-N 1 0 347.375 2.177 10 5 EEBERO COc1cc(C[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194315306 463834839 /nfs/dbraw/zinc/83/48/39/463834839.db2.gz SRWPZKUOQMMBNZ-AEFFLSMTSA-N 1 0 346.383 2.096 10 5 EEBERO COc1cc(C[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194315260 463834941 /nfs/dbraw/zinc/83/49/41/463834941.db2.gz SRWPZKUOQMMBNZ-FUHWJXTLSA-N 1 0 346.383 2.096 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1SC ZINC000171303094 463840900 /nfs/dbraw/zinc/84/09/00/463840900.db2.gz VXBACUHDSRBPGT-JTQLQIEISA-N 1 0 339.417 2.101 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171448112 463864983 /nfs/dbraw/zinc/86/49/83/463864983.db2.gz PYMAMUVHQIJBKP-CQSZACIVSA-N 1 0 333.388 2.304 10 5 EEBERO COc1cc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000271617091 464343565 /nfs/dbraw/zinc/34/35/65/464343565.db2.gz LDDQLPJUOQZABG-GXTWGEPZSA-N 1 0 329.397 2.224 10 5 EEBERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246126633 464546922 /nfs/dbraw/zinc/54/69/22/464546922.db2.gz JHUQBRQARRLYIT-QWHCGFSZSA-N 1 0 341.433 2.006 10 5 EEBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000339600179 465375567 /nfs/dbraw/zinc/37/55/67/465375567.db2.gz WAIOIZCEDYEQCE-IAOVAPTHSA-N 1 0 346.387 2.308 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593913864 468431391 /nfs/dbraw/zinc/43/13/91/468431391.db2.gz XOLHZOFKFGDYOO-ZQIUZPCESA-N 1 0 347.415 2.262 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600008260 468434829 /nfs/dbraw/zinc/43/48/29/468434829.db2.gz LPAIKMYFAYWXPV-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000593918788 468433741 /nfs/dbraw/zinc/43/37/41/468433741.db2.gz JFZZHFFGQKAJTF-GRYCIOLGSA-N 1 0 339.417 2.157 10 5 EEBERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090205 468439923 /nfs/dbraw/zinc/43/99/23/468439923.db2.gz JJBWVPZDXXYOOV-SNVBAGLBSA-N 1 0 341.799 2.388 10 5 EEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000362406277 465713286 /nfs/dbraw/zinc/71/32/86/465713286.db2.gz AXIGEHUKZAZTMD-DYVFJYSZSA-N 1 0 346.431 2.070 10 5 EEBERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299508951 465780581 /nfs/dbraw/zinc/78/05/81/465780581.db2.gz BBFADOYJXCDVIM-CVEARBPZSA-N 1 0 328.372 2.433 10 5 EEBERO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc2ncsc2c1 ZINC000362563932 465834191 /nfs/dbraw/zinc/83/41/91/465834191.db2.gz FLRJUNHKBWOIDD-MFKMUULPSA-N 1 0 347.400 2.113 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000301214509 465922164 /nfs/dbraw/zinc/92/21/64/465922164.db2.gz YMFSPTKDNHCHII-LBPRGKRZSA-N 1 0 347.419 2.298 10 5 EEBERO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000353498946 465934440 /nfs/dbraw/zinc/93/44/40/465934440.db2.gz SFWXOHVHJUUGHX-HOTGVXAUSA-N 1 0 329.404 2.102 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301710988 466016795 /nfs/dbraw/zinc/01/67/95/466016795.db2.gz XUYYGBSJBVMWQG-MNOVXSKESA-N 1 0 334.376 2.210 10 5 EEBERO Cc1cc(N2CCO[C@H](C[NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000301998135 466075479 /nfs/dbraw/zinc/07/54/79/466075479.db2.gz IDPAAUMNYNQFJW-CYBMUJFWSA-N 1 0 330.388 2.218 10 5 EEBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347020290 466327158 /nfs/dbraw/zinc/32/71/58/466327158.db2.gz UCCPYUBTWIWZDG-CQSZACIVSA-N 1 0 333.388 2.302 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341065820 466556212 /nfs/dbraw/zinc/55/62/12/466556212.db2.gz VDTNAHOGGCSLAG-RYUDHWBXSA-N 1 0 345.403 2.464 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000341074248 466562647 /nfs/dbraw/zinc/56/26/47/466562647.db2.gz WQICWTBLTDWNHJ-KBPBESRZSA-N 1 0 335.404 2.353 10 5 EEBERO COc1cc(C[NH2+]CC2(CF)CCOCC2)c([N+](=O)[O-])cc1O ZINC000449485889 467652493 /nfs/dbraw/zinc/65/24/93/467652493.db2.gz OWEPNUJMNJQHGJ-UHFFFAOYSA-N 1 0 328.340 2.165 10 5 EEBERO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449785305 467714429 /nfs/dbraw/zinc/71/44/29/467714429.db2.gz FMTOSPAHMVRUBH-CQSZACIVSA-N 1 0 345.399 2.353 10 5 EEBERO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000516862450 468050779 /nfs/dbraw/zinc/05/07/79/468050779.db2.gz CFIRIRURQNINRY-UHFFFAOYSA-N 1 0 349.412 2.170 10 5 EEBERO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000532144627 468100650 /nfs/dbraw/zinc/10/06/50/468100650.db2.gz MYXIDRKAXPQWRA-INIZCTEOSA-N 1 0 328.372 2.331 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000589501958 468158628 /nfs/dbraw/zinc/15/86/28/468158628.db2.gz LXSNADUBGLEHBL-SWLSCSKDSA-N 1 0 335.404 2.296 10 5 EEBERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000534519605 468261078 /nfs/dbraw/zinc/26/10/78/468261078.db2.gz VBDFCTSYBSTPOI-CQSZACIVSA-N 1 0 346.431 2.393 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000600744144 468646116 /nfs/dbraw/zinc/64/61/16/468646116.db2.gz KVQCNDWIRQQWOT-MCIONIFRSA-N 1 0 338.429 2.394 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000600747789 468647088 /nfs/dbraw/zinc/64/70/88/468647088.db2.gz KQFSWEKQZPPCLX-CALCHBBNSA-N 1 0 343.387 2.076 10 5 EEBERO Cn1cc(CN[C@@H]2CC[NH2+]C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600768892 468652144 /nfs/dbraw/zinc/65/21/44/468652144.db2.gz HOYFYXYFGLYYBE-MRXNPFEDSA-N 1 0 341.415 2.370 10 5 EEBERO O=[N+]([O-])c1cccc(F)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600767128 468652230 /nfs/dbraw/zinc/65/22/30/468652230.db2.gz QSYQQJJVYRBRHU-CQSZACIVSA-N 1 0 337.395 2.324 10 5 EEBERO C[C@]1(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594731995 468667047 /nfs/dbraw/zinc/66/70/47/468667047.db2.gz IXSNEARWJVLXSM-RISCZKNCSA-N 1 0 330.331 2.360 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594793960 468688254 /nfs/dbraw/zinc/68/82/54/468688254.db2.gz XLRYZYCVQQGVFN-JTQLQIEISA-N 1 0 347.462 2.055 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC([NH2+]C2CC2)CC1 ZINC000601131781 468755232 /nfs/dbraw/zinc/75/52/32/468755232.db2.gz QPZYKBRDULVQJJ-UHFFFAOYSA-N 1 0 333.314 2.068 10 5 EEBERO COc1ccc(CN2CCOc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC000601324433 468826650 /nfs/dbraw/zinc/82/66/50/468826650.db2.gz LOUAWTSOVIWHNO-UHFFFAOYSA-N 1 0 329.356 2.461 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595382188 468833454 /nfs/dbraw/zinc/83/34/54/468833454.db2.gz SMOOIIVZAQKJLX-UHFFFAOYSA-N 1 0 343.449 2.302 10 5 EEBERO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)OC(C)(C)C ZINC000584716627 468920285 /nfs/dbraw/zinc/92/02/85/468920285.db2.gz HLVXJZLZVDCGMO-GXTWGEPZSA-N 1 0 338.408 2.091 10 5 EEBERO COCC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC000593340136 468943997 /nfs/dbraw/zinc/94/39/97/468943997.db2.gz VQIIBBGAGBSQNX-UHFFFAOYSA-N 1 0 349.431 2.015 10 5 EEBERO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610477881 468979012 /nfs/dbraw/zinc/97/90/12/468979012.db2.gz DYOBCVSRLVARRK-UHFFFAOYSA-N 1 0 338.327 2.497 10 5 EEBERO C[C@@H](O)C[N@@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000593468666 468994242 /nfs/dbraw/zinc/99/42/42/468994242.db2.gz DDVVAHOTVPYUBH-CHWSQXEVSA-N 1 0 330.388 2.034 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000601771996 469016487 /nfs/dbraw/zinc/01/64/87/469016487.db2.gz HOTXJDHPPZOAKG-UHFFFAOYSA-N 1 0 347.350 2.449 10 5 EEBERO CCOC(=O)CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC000595873895 469057848 /nfs/dbraw/zinc/05/78/48/469057848.db2.gz HZRFCQMBPCLHDU-UHFFFAOYSA-N 1 0 328.390 2.248 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)[C@@H]3CCCO3)o2)c1 ZINC000598989861 469078701 /nfs/dbraw/zinc/07/87/01/469078701.db2.gz DIJVLWCOYOUVMH-RDJZCZTQSA-N 1 0 332.356 2.484 10 5 EEBERO Cn1nccc1[C@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599057199 469102322 /nfs/dbraw/zinc/10/23/22/469102322.db2.gz XZMMYXWNMATIPC-IMJJTQAJSA-N 1 0 344.415 2.363 10 5 EEBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)CC3(O)CCC3)C2)cc1 ZINC000599433923 469254989 /nfs/dbraw/zinc/25/49/89/469254989.db2.gz MYUAKYAOTYQALL-RDJZCZTQSA-N 1 0 334.416 2.440 10 5 EEBERO Nc1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000596480927 469280205 /nfs/dbraw/zinc/28/02/05/469280205.db2.gz TYIAEFVTPIACBJ-ZDUSSCGKSA-N 1 0 334.420 2.488 10 5 EEBERO O=[N+]([O-])c1cccc2c(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccnc21 ZINC000596537055 469296424 /nfs/dbraw/zinc/29/64/24/469296424.db2.gz AHGFJNAQQXZHTA-CQSZACIVSA-N 1 0 342.399 2.178 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCO1 ZINC000596566451 469302672 /nfs/dbraw/zinc/30/26/72/469302672.db2.gz LRIIMFTVWPPIJE-NSHDSACASA-N 1 0 328.800 2.190 10 5 EEBERO COc1cc(CN2CCC(C)([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599622245 469313083 /nfs/dbraw/zinc/31/30/83/469313083.db2.gz JCSUOJNHUGDAOV-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO COC(=O)[C@](C)(NCC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000599647208 469322958 /nfs/dbraw/zinc/32/29/58/469322958.db2.gz AFUDINDOOQMZES-RHSMWYFYSA-N 1 0 335.404 2.057 10 5 EEBERO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000615880235 469333281 /nfs/dbraw/zinc/33/32/81/469333281.db2.gz XSTHEXICVACZQG-UHFFFAOYSA-N 1 0 341.314 2.116 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000610178274 469985879 /nfs/dbraw/zinc/98/58/79/469985879.db2.gz RSRZCSMCIGVPFN-DGCLKSJQSA-N 1 0 349.387 2.126 10 5 EEBERO COC1CC[NH+](C2(CNc3ccncc3[N+](=O)[O-])CCCC2)CC1 ZINC000341108865 485642869 /nfs/dbraw/zinc/64/28/69/485642869.db2.gz SWCMIYHREHNFOG-UHFFFAOYSA-N 1 0 334.420 2.247 10 5 EEBERO CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001485682091 1191895741 /nfs/dbraw/zinc/89/57/41/1191895741.db2.gz XFZIHBSDRGMVMN-SHTZXODSSA-N 1 0 349.431 2.394 10 5 EEBERO CCc1nc(C)c(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001267448961 1179029255 /nfs/dbraw/zinc/02/92/55/1179029255.db2.gz SFAJNCYXYGTUDS-UHFFFAOYSA-N 1 0 346.387 2.315 10 5 EEBERO Cc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1F ZINC001481897343 1182907708 /nfs/dbraw/zinc/90/77/08/1182907708.db2.gz XHQIVOPMCMDZPH-GDBMZVCRSA-N 1 0 349.406 2.318 10 5 EEBERO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865899922 1198418247 /nfs/dbraw/zinc/41/82/47/1198418247.db2.gz CPTIZNBCPSBCQX-SNVBAGLBSA-N 1 0 342.346 2.089 10 5 EEBERO CCC[N@H+](CC)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000811866590 1200366120 /nfs/dbraw/zinc/36/61/20/1200366120.db2.gz HNXTZPKRGIYLHZ-LLVKDONJSA-N 1 0 336.392 2.458 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@H]2C1 ZINC000812333856 1200667492 /nfs/dbraw/zinc/66/74/92/1200667492.db2.gz KDFCRDKVPCKVOC-NEPJUHHUSA-N 1 0 328.372 2.100 10 5 EEBERO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000867943184 1201711182 /nfs/dbraw/zinc/71/11/82/1201711182.db2.gz OCLFEDJAMIQBSD-UHFFFAOYSA-N 1 0 335.379 2.410 10 5 EEBERO CCOc1cc(C[N@@H+]2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000930909588 1206591804 /nfs/dbraw/zinc/59/18/04/1206591804.db2.gz GQZDUUGNIGSZAF-DYEKYZERSA-N 1 0 335.404 2.468 10 5 EEBERO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C12CC[NH+](CC1)C2 ZINC000900882144 1234952481 /nfs/dbraw/zinc/95/24/81/1234952481.db2.gz RMJTTXJVBKXVBQ-UHFFFAOYSA-N 1 0 345.399 2.060 10 5 EEBERO CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000901330493 1235555823 /nfs/dbraw/zinc/55/58/23/1235555823.db2.gz SGBGCPLXTKIWLH-OAHLLOKOSA-N 1 0 348.447 2.188 10 5 EEBERO COc1cc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c([N+](=O)[O-])cc1O ZINC000850378413 1277204750 /nfs/dbraw/zinc/20/47/50/1277204750.db2.gz CDTMUNQMOVOMSO-KGLIPLIRSA-N 1 0 344.314 2.213 10 5 EEBERO COC(=O)C1=CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000858472925 1294127084 /nfs/dbraw/zinc/12/70/84/1294127084.db2.gz KUXADNKRWRWOCB-OAHLLOKOSA-N 1 0 345.399 2.415 10 5 EEBERO C[C@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000863563495 1296338360 /nfs/dbraw/zinc/33/83/60/1296338360.db2.gz OQEFAYUQNXROHS-YJBOKZPZSA-N 1 0 344.367 2.448 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841104544 1315476628 /nfs/dbraw/zinc/47/66/28/1315476628.db2.gz YFIBBGQGGCTBQV-JTQLQIEISA-N 1 0 334.710 2.367 10 5 EEBERO C[N@H+](CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C1CC1 ZINC001142386611 1315590339 /nfs/dbraw/zinc/59/03/39/1315590339.db2.gz NFEUYGNOKLLQPO-UHFFFAOYSA-N 1 0 340.383 2.481 10 5 EEBERO CCOC(=O)c1ccnc(NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC001163450359 1321128314 /nfs/dbraw/zinc/12/83/14/1321128314.db2.gz RGAMADMZIZOFLF-UHFFFAOYSA-N 1 0 336.392 2.453 10 5 EEBERO C[N@H+](CCCNC(=O)Cc1cscn1)Cc1cccc([N+](=O)[O-])c1 ZINC001265043654 1322885569 /nfs/dbraw/zinc/88/55/69/1322885569.db2.gz UYBUFIBHZJHWNW-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cncnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001266035571 1323586873 /nfs/dbraw/zinc/58/68/73/1323586873.db2.gz PAYAVNVEESBTIU-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1cocn1 ZINC001280470801 1324241619 /nfs/dbraw/zinc/24/16/19/1324241619.db2.gz FUYIBLJBVKMULE-UHFFFAOYSA-N 1 0 330.344 2.025 10 5 EEBERO Cc1conc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001280524490 1324275329 /nfs/dbraw/zinc/27/53/29/1324275329.db2.gz CXALNAVQWBVYIE-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001298104894 1330034612 /nfs/dbraw/zinc/03/46/12/1330034612.db2.gz NFXPVPFUJPIZQJ-UHFFFAOYSA-N 1 0 349.435 2.012 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ocnc1C1CC1 ZINC001317627742 1332335542 /nfs/dbraw/zinc/33/55/42/1332335542.db2.gz WUXJARHCUOLBAQ-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO COc1ccc(C[C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC001319791065 1332769041 /nfs/dbraw/zinc/76/90/41/1332769041.db2.gz ICUYRRUCZUYIAA-AWEZNQCLSA-N 1 0 345.399 2.328 10 5 EEBERO CC[N@H+]1[C@H](C)CN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC001300086797 1338037178 /nfs/dbraw/zinc/03/71/78/1338037178.db2.gz KUQYUHUJAYUSNN-OKILXGFUSA-N 1 0 335.404 2.223 10 5 EEBERO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001558665228 1342485809 /nfs/dbraw/zinc/48/58/09/1342485809.db2.gz VODVMLWQFJDREZ-UHFFFAOYSA-N 1 0 332.404 2.314 10 5 EEBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001558768609 1342488210 /nfs/dbraw/zinc/48/82/10/1342488210.db2.gz DNETWXHICZTBOL-ZBFHGGJFSA-N 1 0 332.404 2.325 10 5 EEBERO CCc1cncc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001567531210 1342780075 /nfs/dbraw/zinc/78/00/75/1342780075.db2.gz CLOXDMSTXDVSAG-UHFFFAOYSA-N 1 0 342.399 2.414 10 5 EEBERO CC(C)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001570297333 1343052914 /nfs/dbraw/zinc/05/29/14/1343052914.db2.gz ZPIQCJFZPBAOJW-UHFFFAOYSA-N 1 0 335.404 2.006 10 5 EEBERO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001628127011 1352521702 /nfs/dbraw/zinc/52/17/02/1352521702.db2.gz SDPNTRIMVYNXMG-NWDGAFQWSA-N 1 0 340.811 2.433 10 5 EEBERO CC(C)C1(O)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001655878038 1354188120 /nfs/dbraw/zinc/18/81/20/1354188120.db2.gz ZVFTWGGNQAFILI-UHFFFAOYSA-N 1 0 335.404 2.406 10 5 EEBERO CC(=O)N1CCC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001655996688 1354192752 /nfs/dbraw/zinc/19/27/52/1354192752.db2.gz BEANHBDYCDUFTI-UHFFFAOYSA-N 1 0 325.796 2.391 10 5 EEBERO Cc1cc(C)nc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001664036677 1355079408 /nfs/dbraw/zinc/07/94/08/1355079408.db2.gz QDUGHMQUUUAAQF-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cscn1 ZINC001668745241 1355996728 /nfs/dbraw/zinc/99/67/28/1355996728.db2.gz CKTVGRIZVBEFCZ-ONEGZZNKSA-N 1 0 332.385 2.127 10 5 EEBERO CCCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001674339470 1356820833 /nfs/dbraw/zinc/82/08/33/1356820833.db2.gz UIIZNQPLVUXKKC-HZPDHXFCSA-N 1 0 325.453 2.402 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762145 770735866 /nfs/dbraw/zinc/73/58/66/770735866.db2.gz HWNDUQWNEDHIBB-SKDRFNHKSA-N 1 0 328.210 2.445 10 5 EEBERO O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000817879783 785039988 /nfs/dbraw/zinc/03/99/88/785039988.db2.gz GGICNLSZDLTEQM-UHFFFAOYSA-N 1 0 338.795 2.015 10 5 EEBERO Cc1c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818591754 785315800 /nfs/dbraw/zinc/31/58/00/785315800.db2.gz KLFFBVDHTBNUCN-MRXNPFEDSA-N 1 0 348.359 2.027 10 5 EEBERO CC(C)c1noc(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000818986248 785352807 /nfs/dbraw/zinc/35/28/07/785352807.db2.gz JOEJAAVOLYPLEI-CQSZACIVSA-N 1 0 334.376 2.357 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000819190019 785454107 /nfs/dbraw/zinc/45/41/07/785454107.db2.gz YPZUZBQOWKFRKD-INIZCTEOSA-N 1 0 328.372 2.128 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000819926267 785718234 /nfs/dbraw/zinc/71/82/34/785718234.db2.gz MPNAQCJILCEUNN-UHFFFAOYSA-N 1 0 346.431 2.219 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000843514230 788669973 /nfs/dbraw/zinc/66/99/73/788669973.db2.gz NOSVOICVIUDMJJ-AWEZNQCLSA-N 1 0 348.359 2.216 10 5 EEBERO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)C1 ZINC000844432594 789119986 /nfs/dbraw/zinc/11/99/86/789119986.db2.gz WJTRJZKQYGHOJZ-UHFFFAOYSA-N 1 0 325.384 2.277 10 5 EEBERO C[C@H](CC[NH+](C)C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001144218859 789379931 /nfs/dbraw/zinc/37/99/31/789379931.db2.gz BRAUHUAXQZAVPR-SSDOTTSWSA-N 1 0 332.763 2.040 10 5 EEBERO Cc1nc(C(C)C)ccc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479770219 1098940919 /nfs/dbraw/zinc/94/09/19/1098940919.db2.gz KUAIMNABJSYOOW-NVXWUHKLSA-N 1 0 348.447 2.117 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC001497552248 1102655438 /nfs/dbraw/zinc/65/54/38/1102655438.db2.gz OWRBFRYMAACHSE-OWOJBTEDSA-N 1 0 344.346 2.205 10 5 EEBERO Nc1cc(CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001457428380 1109594658 /nfs/dbraw/zinc/59/46/58/1109594658.db2.gz CWDOFZXEFNWJER-UHFFFAOYSA-N 1 0 332.335 2.464 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC001531560966 1122453211 /nfs/dbraw/zinc/45/32/11/1122453211.db2.gz MFWRTUSWUAJCNW-CQSZACIVSA-N 1 0 332.404 2.293 10 5 EEBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001540940483 1124097170 /nfs/dbraw/zinc/09/71/70/1124097170.db2.gz RENRZCXDULVNSK-AOOOYVTPSA-N 1 0 343.815 2.069 10 5 EEBERO C[NH+]1CCC(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001542681234 1124115245 /nfs/dbraw/zinc/11/52/45/1124115245.db2.gz ZAAWFSGXHUKKJB-UHFFFAOYSA-N 1 0 325.796 2.249 10 5 EEBERO CC(C)([NH3+])c1cn(-c2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000070117737 202308474 /nfs/dbraw/zinc/30/84/74/202308474.db2.gz VJTFHKVROYPDMU-UHFFFAOYSA-N 1 0 326.154 2.132 10 5 EEBERO CC(C)([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Br)nn1 ZINC000070117850 202307960 /nfs/dbraw/zinc/30/79/60/202307960.db2.gz UJYAOSQTYIRVGZ-UHFFFAOYSA-N 1 0 340.181 2.191 10 5 EEBERO C[C@@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)CS(C)(=O)=O ZINC000451554166 243155637 /nfs/dbraw/zinc/15/56/37/243155637.db2.gz ZLHPWPJOHCFEFQ-DZGCQCFKSA-N 1 0 340.445 2.455 10 5 EEBERO O=C1[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451891578 243293450 /nfs/dbraw/zinc/29/34/50/243293450.db2.gz AGDMWTRTAWONAJ-FUHWJXTLSA-N 1 0 345.399 2.203 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451903152 243304898 /nfs/dbraw/zinc/30/48/98/243304898.db2.gz PLAFFDQWJMTSJH-SUMWQHHRSA-N 1 0 333.388 2.424 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000451913169 243310113 /nfs/dbraw/zinc/31/01/13/243310113.db2.gz SGGJWLCTHAOYSM-MFKMUULPSA-N 1 0 334.294 2.219 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000246774225 243311999 /nfs/dbraw/zinc/31/19/99/243311999.db2.gz AYOMCBVWTGVRHT-WFASDCNBSA-N 1 0 343.387 2.313 10 5 EEBERO COc1cc(C[NH2+][C@@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000077423141 203387009 /nfs/dbraw/zinc/38/70/09/203387009.db2.gz GPZYNPJHMYUCEW-BDAKNGLRSA-N 1 0 334.319 2.311 10 5 EEBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105177157 204136027 /nfs/dbraw/zinc/13/60/27/204136027.db2.gz GPVYAEPJFIUMBX-MRXNPFEDSA-N 1 0 332.404 2.017 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000045626529 204330489 /nfs/dbraw/zinc/33/04/89/204330489.db2.gz TWVATWGPJODBIY-VIFPVBQESA-N 1 0 342.193 2.181 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000156502840 206083354 /nfs/dbraw/zinc/08/33/54/206083354.db2.gz CVKMQGQRNBZVST-AWEZNQCLSA-N 1 0 334.420 2.311 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)n1 ZINC000176285980 207211398 /nfs/dbraw/zinc/21/13/98/207211398.db2.gz JPGNGFXZTVIRJQ-JKSUJKDBSA-N 1 0 330.388 2.379 10 5 EEBERO Cc1cccc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000176874635 207269378 /nfs/dbraw/zinc/26/93/78/207269378.db2.gz CFXFSAYVINKEPD-CQSZACIVSA-N 1 0 349.431 2.068 10 5 EEBERO O=[N+]([O-])c1cc(Br)cnc1N1CCC[N@@H+](C2CC2)CC1 ZINC000177822157 285083750 /nfs/dbraw/zinc/08/37/50/285083750.db2.gz PQRCJIKNDNYLKL-UHFFFAOYSA-N 1 0 341.209 2.427 10 5 EEBERO Cc1sc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267093487 256026431 /nfs/dbraw/zinc/02/64/31/256026431.db2.gz IYUXIOPVBAKTFM-CYBMUJFWSA-N 1 0 329.447 2.132 10 5 EEBERO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000273106970 256265819 /nfs/dbraw/zinc/26/58/19/256265819.db2.gz QOZPIVCCUFYHFT-HNNXBMFYSA-N 1 0 349.431 2.002 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000054463197 292139774 /nfs/dbraw/zinc/13/97/74/292139774.db2.gz GSYLQEPFWSVXPU-INIZCTEOSA-N 1 0 346.362 2.470 10 5 EEBERO C[NH+](C)C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000123672339 159461305 /nfs/dbraw/zinc/46/13/05/159461305.db2.gz GMVIJGNYHYSRQP-MRXNPFEDSA-N 1 0 342.399 2.426 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191875193 160162918 /nfs/dbraw/zinc/16/29/18/160162918.db2.gz JYWRIFNWBWHQGZ-CYBMUJFWSA-N 1 0 343.449 2.220 10 5 EEBERO CO[C@H](C)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000343518993 161143050 /nfs/dbraw/zinc/14/30/50/161143050.db2.gz CIRJJIKSHXEOMG-KGLIPLIRSA-N 1 0 326.393 2.080 10 5 EEBERO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000344061305 161194897 /nfs/dbraw/zinc/19/48/97/161194897.db2.gz MRMJNCVCAWEINX-OWCLPIDISA-N 1 0 347.415 2.340 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000352766876 162279072 /nfs/dbraw/zinc/27/90/72/162279072.db2.gz DLASDRDVFPYSCV-CQSZACIVSA-N 1 0 331.376 2.107 10 5 EEBERO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359038366 164042754 /nfs/dbraw/zinc/04/27/54/164042754.db2.gz HFNIJEQOAITBPO-SNVBAGLBSA-N 1 0 329.303 2.020 10 5 EEBERO CN1C(=O)CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000424319038 273862024 /nfs/dbraw/zinc/86/20/24/273862024.db2.gz QGALABLNFDHSIR-ZIAGYGMSSA-N 1 0 331.372 2.054 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)n1 ZINC000191788296 274052345 /nfs/dbraw/zinc/05/23/45/274052345.db2.gz ZGUXKCZCYDXATF-UHFFFAOYSA-N 1 0 337.424 2.148 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000419010698 274364346 /nfs/dbraw/zinc/36/43/46/274364346.db2.gz YNAGIRDHYJKEMR-CHWSQXEVSA-N 1 0 330.388 2.034 10 5 EEBERO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000291060692 275266078 /nfs/dbraw/zinc/26/60/78/275266078.db2.gz RISXMANSUOPMSQ-UHFFFAOYSA-N 1 0 344.419 2.405 10 5 EEBERO C[C@@H](CN1CC[NH+](C)CC1)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000291777568 275339340 /nfs/dbraw/zinc/33/93/40/275339340.db2.gz CIEXPXBGIYLMBF-ZDUSSCGKSA-N 1 0 329.404 2.191 10 5 EEBERO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1 ZINC000298694177 294562046 /nfs/dbraw/zinc/56/20/46/294562046.db2.gz BYNXHDLJTXAYHM-CQSZACIVSA-N 1 0 335.408 2.011 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949874 313113963 /nfs/dbraw/zinc/11/39/63/313113963.db2.gz NWDXYBQUCONEQC-SCZZXKLOSA-N 1 0 344.318 2.316 10 5 EEBERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421370561 314093241 /nfs/dbraw/zinc/09/32/41/314093241.db2.gz BVVBFOSILRJDDT-ZDUSSCGKSA-N 1 0 329.356 2.423 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000518430850 316726004 /nfs/dbraw/zinc/72/60/04/316726004.db2.gz STXRDMKDUMOZDL-OWCLPIDISA-N 1 0 328.368 2.480 10 5 EEBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531883850 317826247 /nfs/dbraw/zinc/82/62/47/317826247.db2.gz RZVZJNWKUCLWEE-UMVBOHGHSA-N 1 0 332.404 2.467 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000532136866 317843851 /nfs/dbraw/zinc/84/38/51/317843851.db2.gz JRKUMWJYCFLFAD-UHFFFAOYSA-N 1 0 332.404 2.328 10 5 EEBERO CC[NH+](CC)CCOCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000543607617 318163274 /nfs/dbraw/zinc/16/32/74/318163274.db2.gz CYYPQNIXYUUKBV-UHFFFAOYSA-N 1 0 348.403 2.164 10 5 EEBERO Cc1cc(C)c(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000575105840 320086986 /nfs/dbraw/zinc/08/69/86/320086986.db2.gz URGBORYWTDSIIA-UHFFFAOYSA-N 1 0 344.371 2.431 10 5 EEBERO C[NH+](C)CCNc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cn1 ZINC000600795481 449548959 /nfs/dbraw/zinc/54/89/59/449548959.db2.gz XVWBDFLOROUMTC-UHFFFAOYSA-N 1 0 330.388 2.165 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000590547831 468270189 /nfs/dbraw/zinc/27/01/89/468270189.db2.gz HYUPFQHMKOZZDO-UHFFFAOYSA-N 1 0 333.388 2.161 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000590659189 468298109 /nfs/dbraw/zinc/29/81/09/468298109.db2.gz YVIWFSMSTPNJJD-NVXWUHKLSA-N 1 0 348.399 2.268 10 5 EEBERO Cn1cc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000131393347 462807705 /nfs/dbraw/zinc/80/77/05/462807705.db2.gz MUTJIINCEMQPMU-UHFFFAOYSA-N 1 0 326.303 2.262 10 5 EEBERO Cc1ccc(NCCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000121377391 463126056 /nfs/dbraw/zinc/12/60/56/463126056.db2.gz RMOIDPKIRDKJRS-CQSZACIVSA-N 1 0 349.435 2.051 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123005901 463308536 /nfs/dbraw/zinc/30/85/36/463308536.db2.gz BLXZPBLWLPQATP-KGLIPLIRSA-N 1 0 335.404 2.305 10 5 EEBERO Cc1sc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124556246 463437167 /nfs/dbraw/zinc/43/71/67/463437167.db2.gz ONDJKFGASKHCBG-MWLCHTKSSA-N 1 0 347.462 2.068 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185324019 463801281 /nfs/dbraw/zinc/80/12/81/463801281.db2.gz RVBFYQHMILDBJF-ZDUSSCGKSA-N 1 0 326.393 2.321 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000178633561 463934115 /nfs/dbraw/zinc/93/41/15/463934115.db2.gz ZKNXSNUBVSHAOY-ZIAGYGMSSA-N 1 0 332.404 2.010 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246129940 464549270 /nfs/dbraw/zinc/54/92/70/464549270.db2.gz JMPMEYMAXIWMQR-QWHCGFSZSA-N 1 0 341.433 2.006 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000247397162 464675895 /nfs/dbraw/zinc/67/58/95/464675895.db2.gz PDHISCSNJFKWRW-WFASDCNBSA-N 1 0 333.388 2.130 10 5 EEBERO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000285763349 464685749 /nfs/dbraw/zinc/68/57/49/464685749.db2.gz XKMPPARMFZMDGN-CYBMUJFWSA-N 1 0 335.408 2.046 10 5 EEBERO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000347951925 465330569 /nfs/dbraw/zinc/33/05/69/465330569.db2.gz QFIQSQMLOUTRFC-KRWDZBQOSA-N 1 0 346.431 2.340 10 5 EEBERO COc1cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000339762234 465496533 /nfs/dbraw/zinc/49/65/33/465496533.db2.gz TYKVJBOSUQTRLJ-IRXDYDNUSA-N 1 0 336.388 2.013 10 5 EEBERO CC1CC[NH+](CCCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301609939 465997324 /nfs/dbraw/zinc/99/73/24/465997324.db2.gz QEODTTDZQIIUKK-UHFFFAOYSA-N 1 0 348.403 2.460 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000302514868 466149295 /nfs/dbraw/zinc/14/92/95/466149295.db2.gz UWHAETHOEOZFKY-LLVKDONJSA-N 1 0 341.383 2.024 10 5 EEBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000591587614 468487418 /nfs/dbraw/zinc/48/74/18/468487418.db2.gz VQVMLAWFYACXQY-UHFFFAOYSA-N 1 0 344.415 2.163 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3ccccc3F)CC2)c1 ZINC000367623320 466456927 /nfs/dbraw/zinc/45/69/27/466456927.db2.gz VQRSJSYCBRGDCA-UHFFFAOYSA-N 1 0 333.367 2.143 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000365412697 466811069 /nfs/dbraw/zinc/81/10/69/466811069.db2.gz VOYYWONHKPBIHM-UHFFFAOYSA-N 1 0 347.415 2.497 10 5 EEBERO Cn1cc(CN2CC[NH+]3CCC2CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377628580 467100208 /nfs/dbraw/zinc/10/02/08/467100208.db2.gz QEHNPYLZOZUYFE-UHFFFAOYSA-N 1 0 341.415 2.275 10 5 EEBERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC12COC2 ZINC000451137557 467248540 /nfs/dbraw/zinc/24/85/40/467248540.db2.gz PIGWBILETZXKLR-OCCSQVGLSA-N 1 0 334.372 2.167 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420350487 467373696 /nfs/dbraw/zinc/37/36/96/467373696.db2.gz SXMXJDXQZDZIDN-OKILXGFUSA-N 1 0 332.404 2.058 10 5 EEBERO COC(=O)[C@H]1CSCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414569632 467421111 /nfs/dbraw/zinc/42/11/11/467421111.db2.gz PUVICLMWBOJIBV-YVARQFDVSA-N 1 0 336.413 2.446 10 5 EEBERO C[NH+](C)C1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448941210 467606775 /nfs/dbraw/zinc/60/67/75/467606775.db2.gz LLWKNJOSMHWMEK-UHFFFAOYSA-N 1 0 343.387 2.151 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCN1CCO ZINC000449389400 467635800 /nfs/dbraw/zinc/63/58/00/467635800.db2.gz CMXNRFPVGIYTQA-HAZIXKIPSA-N 1 0 333.432 2.435 10 5 EEBERO CC[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000493134407 467847498 /nfs/dbraw/zinc/84/74/98/467847498.db2.gz SQPVWKJBKIZOFX-MRXNPFEDSA-N 1 0 343.387 2.274 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](C3CCOCC3)CC1)CCCC2 ZINC000591919236 468569633 /nfs/dbraw/zinc/56/96/33/468569633.db2.gz WSJAXOOOYVZGAS-UHFFFAOYSA-N 1 0 346.431 2.170 10 5 EEBERO [NH3+]C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594524424 468615652 /nfs/dbraw/zinc/61/56/52/468615652.db2.gz JPQCRFBUIAEKLK-GFCCVEGCSA-N 1 0 348.325 2.106 10 5 EEBERO CC(=O)NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131325 468633089 /nfs/dbraw/zinc/63/30/89/468633089.db2.gz XTSYBKXYEKKDFS-QAQDUYKDSA-N 1 0 349.431 2.227 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000557519596 468633447 /nfs/dbraw/zinc/63/34/47/468633447.db2.gz PZKMXJIYAORGJB-ZDUSSCGKSA-N 1 0 333.388 2.364 10 5 EEBERO C[NH+]1CCC2(CC1)CN(C/C=C/c1ccccc1[N+](=O)[O-])CCO2 ZINC000592527794 468722272 /nfs/dbraw/zinc/72/22/72/468722272.db2.gz QKYDHPBGXFZSHB-GQCTYLIASA-N 1 0 331.416 2.405 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000601140429 468757826 /nfs/dbraw/zinc/75/78/26/468757826.db2.gz YRZABWKODNCSKV-HNNXBMFYSA-N 1 0 346.362 2.308 10 5 EEBERO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165038 468767186 /nfs/dbraw/zinc/76/71/86/468767186.db2.gz JDHDFVJWGTWKGB-ZJUUUORDSA-N 1 0 347.341 2.410 10 5 EEBERO [NH3+]CC12CC(C1)CN2C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595263919 468796414 /nfs/dbraw/zinc/79/64/14/468796414.db2.gz WZLHTVKONIFPHI-UHFFFAOYSA-N 1 0 332.404 2.050 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000593031343 468845768 /nfs/dbraw/zinc/84/57/68/468845768.db2.gz DEKGVLIYNWNIQT-MRXNPFEDSA-N 1 0 335.404 2.153 10 5 EEBERO [NH3+][C@@H](CCC(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000572040522 468876837 /nfs/dbraw/zinc/87/68/37/468876837.db2.gz FHUOHXHUBAGWRW-INIZCTEOSA-N 1 0 340.383 2.355 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826557 469029280 /nfs/dbraw/zinc/02/92/80/469029280.db2.gz AMOVZBVPZCFCRW-ZIAGYGMSSA-N 1 0 333.388 2.200 10 5 EEBERO COc1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000595906562 469074720 /nfs/dbraw/zinc/07/47/20/469074720.db2.gz LAMGVWPZYFTPLR-HNNXBMFYSA-N 1 0 337.420 2.146 10 5 EEBERO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595917103 469082879 /nfs/dbraw/zinc/08/28/79/469082879.db2.gz XIYFRLFECFPPTL-QGZVFWFLSA-N 1 0 340.383 2.358 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000601975219 469122039 /nfs/dbraw/zinc/12/20/39/469122039.db2.gz MLEXCLVGVCYGOS-GXFFZTMASA-N 1 0 343.330 2.278 10 5 EEBERO COC(=O)c1cnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164012 469143862 /nfs/dbraw/zinc/14/38/62/469143862.db2.gz HQJYYFMAVKDYEC-ZDUSSCGKSA-N 1 0 334.376 2.205 10 5 EEBERO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000611268892 469215121 /nfs/dbraw/zinc/21/51/21/469215121.db2.gz YDSSACFBVCFGFR-CQSZACIVSA-N 1 0 333.388 2.035 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000596425166 469262354 /nfs/dbraw/zinc/26/23/54/469262354.db2.gz NYBLOOFGJOFMMG-UHFFFAOYSA-N 1 0 331.420 2.438 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)C2C[NH+](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000896854074 685398365 /nfs/dbraw/zinc/39/83/65/685398365.db2.gz WAYILRPLWIGDRS-CYBMUJFWSA-N 1 0 347.415 2.191 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1SC ZINC000928450686 683206329 /nfs/dbraw/zinc/20/63/29/683206329.db2.gz UTNIJEILHDZGNI-KOLCDFICSA-N 1 0 339.417 2.148 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000899563617 693795445 /nfs/dbraw/zinc/79/54/45/693795445.db2.gz GVANOMSTYYGLSO-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000899564408 693795828 /nfs/dbraw/zinc/79/58/28/693795828.db2.gz YKOLDHNDQVOIAS-UHFFFAOYSA-N 1 0 347.415 2.451 10 5 EEBERO O=C(N[C@@H]1CCCN(CCF)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000898484447 693331477 /nfs/dbraw/zinc/33/14/77/693331477.db2.gz SVPFVLGNDBHLAN-SNVBAGLBSA-N 1 0 329.759 2.412 10 5 EEBERO CCC[N@H+](CCNC(=O)c1csnn1)Cc1cccc([N+](=O)[O-])c1 ZINC001691187852 1177689397 /nfs/dbraw/zinc/68/93/97/1177689397.db2.gz XHDQNMDHIVEBLY-UHFFFAOYSA-N 1 0 349.416 2.088 10 5 EEBERO Cn1cccc1C(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001267321514 1178753370 /nfs/dbraw/zinc/75/33/70/1178753370.db2.gz HEFQLHOBQPEJOV-UHFFFAOYSA-N 1 0 342.399 2.328 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1coc(C2CC2)n1 ZINC001481288683 1180878959 /nfs/dbraw/zinc/87/89/59/1180878959.db2.gz GKZIPCAIDLNFRE-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO Cc1cc(CC(=O)N(C)CCN(C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC001271984760 1186757840 /nfs/dbraw/zinc/75/78/40/1186757840.db2.gz VKDGHAJXLFJDRB-UHFFFAOYSA-N 1 0 346.387 2.024 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000120710303 1198343622 /nfs/dbraw/zinc/34/36/22/1198343622.db2.gz VHIJSHDWPHWIMN-LLVKDONJSA-N 1 0 347.412 2.051 10 5 EEBERO CC(C)[C@H](C[NH+](C)C)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000870571579 1200747992 /nfs/dbraw/zinc/74/79/92/1200747992.db2.gz OZKKFHHAERFIMB-HNNXBMFYSA-N 1 0 334.376 2.074 10 5 EEBERO COc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)c([N+](=O)[O-])cc1C ZINC000866257522 1201477488 /nfs/dbraw/zinc/47/74/88/1201477488.db2.gz JCQLTAAHXSNWKW-UHFFFAOYSA-N 1 0 349.431 2.460 10 5 EEBERO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1 ZINC000928840219 1206426494 /nfs/dbraw/zinc/42/64/94/1206426494.db2.gz OQEWTSGKNWOEAM-LBPRGKRZSA-N 1 0 334.401 2.474 10 5 EEBERO O=[N+]([O-])c1cc(F)ccc1CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286035 1206621984 /nfs/dbraw/zinc/62/19/84/1206621984.db2.gz VULUNRJCFDMGJZ-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000850125622 1277046253 /nfs/dbraw/zinc/04/62/53/1277046253.db2.gz ITKMXVYZSZKTDV-ZDUSSCGKSA-N 1 0 344.293 2.170 10 5 EEBERO O=C(NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(F)F ZINC001490360685 1291300234 /nfs/dbraw/zinc/30/02/34/1291300234.db2.gz DTVWIPSQPDUVNZ-UHFFFAOYSA-N 1 0 327.331 2.331 10 5 EEBERO C[N@H+](Cc1ccc2nc(NC(=O)[C@@H]3CC3[N+](=O)[O-])sc2c1)C1CC1 ZINC000855470393 1293221837 /nfs/dbraw/zinc/22/18/37/1293221837.db2.gz GHCLIHVDZQJKBX-DGCLKSJQSA-N 1 0 346.412 2.494 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000927151175 1297037992 /nfs/dbraw/zinc/03/79/92/1297037992.db2.gz QKKIFGMUUHLAKC-DGCLKSJQSA-N 1 0 345.403 2.330 10 5 EEBERO C[C@H](CC[NH+](C)C)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001292966847 1328565785 /nfs/dbraw/zinc/56/57/85/1328565785.db2.gz RUVXLMRSWHHTIX-LLVKDONJSA-N 1 0 330.388 2.400 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000842777159 1315772027 /nfs/dbraw/zinc/77/20/27/1315772027.db2.gz ASSLUTZTRHHSQI-UWVGGRQHSA-N 1 0 347.824 2.105 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000842870037 1315788383 /nfs/dbraw/zinc/78/83/83/1315788383.db2.gz WWQAJICUBYAXBD-JTQLQIEISA-N 1 0 349.840 2.352 10 5 EEBERO C[C@H](O)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000843089853 1315839626 /nfs/dbraw/zinc/83/96/26/1315839626.db2.gz UAXVFJVCNCAJRY-GOPGUHFVSA-N 1 0 334.347 2.479 10 5 EEBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1C ZINC001164261087 1321334031 /nfs/dbraw/zinc/33/40/31/1321334031.db2.gz MKLKQAAADMNQMV-ACJLOTCBSA-N 1 0 347.415 2.468 10 5 EEBERO Nc1ncc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001294265417 1328950970 /nfs/dbraw/zinc/95/09/70/1328950970.db2.gz NGHFLSIEOPGWQK-UHFFFAOYSA-N 1 0 347.419 2.099 10 5 EEBERO COCC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001316634868 1326700235 /nfs/dbraw/zinc/70/02/35/1326700235.db2.gz BTCHLWLSLKNABO-SHTZXODSSA-N 1 0 349.431 2.252 10 5 EEBERO COc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001316855994 1331482958 /nfs/dbraw/zinc/48/29/58/1331482958.db2.gz DVDUVLMVBRDWPQ-UHFFFAOYSA-N 1 0 347.371 2.448 10 5 EEBERO CN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317585687 1332309144 /nfs/dbraw/zinc/30/91/44/1332309144.db2.gz SUFQZFBYGZPSES-HZPDHXFCSA-N 1 0 333.432 2.197 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncs1 ZINC001320691914 1332936222 /nfs/dbraw/zinc/93/62/22/1332936222.db2.gz JMSSZUWLVISRRT-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC001320986077 1332992395 /nfs/dbraw/zinc/99/23/95/1332992395.db2.gz LJFRTXKZFAFRHS-ARJAWSKDSA-N 1 0 332.385 2.127 10 5 EEBERO CN(CC(C)(C)C[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329293951 1334621814 /nfs/dbraw/zinc/62/18/14/1334621814.db2.gz ZHFKCYPCEDOFBB-HUUCEWRRSA-N 1 0 337.464 2.306 10 5 EEBERO Cc1ccc(NCCCNC(=O)[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001618078536 1352347902 /nfs/dbraw/zinc/34/79/02/1352347902.db2.gz NAMCTTWPJFREBH-AWEZNQCLSA-N 1 0 336.436 2.409 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(CO)CC[C@H](C)c2ccccc21 ZINC001620670128 1352361772 /nfs/dbraw/zinc/36/17/72/1352361772.db2.gz HUZXAUCCMFMOMQ-SCLBCKFNSA-N 1 0 344.415 2.474 10 5 EEBERO CC(C)(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001565840913 1342567852 /nfs/dbraw/zinc/56/78/52/1342567852.db2.gz ODOAZYMVGFGQBW-OTVXOJSOSA-N 1 0 349.431 2.394 10 5 EEBERO CC1(C)CC(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC(C)(C)[NH2+]1 ZINC001623819218 1352406263 /nfs/dbraw/zinc/40/62/63/1352406263.db2.gz VDPGVKYJRXWJJH-UHFFFAOYSA-N 1 0 329.788 2.010 10 5 EEBERO O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001627884641 1352512562 /nfs/dbraw/zinc/51/25/62/1352512562.db2.gz MOTMHUHARXCMOW-UHFFFAOYSA-N 1 0 341.302 2.496 10 5 EEBERO CC[C@@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC001679150673 1357629616 /nfs/dbraw/zinc/62/96/16/1357629616.db2.gz GSIPIXCXNZSMCQ-BMFZPTHFSA-N 1 0 332.404 2.391 10 5 EEBERO CC[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C[C@H](C)[NH2+]1 ZINC001630405820 1352568696 /nfs/dbraw/zinc/56/86/96/1352568696.db2.gz CBWQPBPAWSFVNI-JGVFFNPUSA-N 1 0 344.774 2.182 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001630601807 1352571423 /nfs/dbraw/zinc/57/14/23/1352571423.db2.gz JVMQPADOTBHGSU-INIZCTEOSA-N 1 0 346.362 2.470 10 5 EEBERO CC[NH+]1CCN(c2ccc(Nc3ccncc3[N+](=O)[O-])cc2F)CC1 ZINC001652154715 1354079702 /nfs/dbraw/zinc/07/97/02/1354079702.db2.gz GVGIMDKQBZIUQO-UHFFFAOYSA-N 1 0 345.378 2.436 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccoc1 ZINC001668412521 1355936471 /nfs/dbraw/zinc/93/64/71/1355936471.db2.gz VKMBYFLJVQFQLX-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO [NH3+]CCN(Cc1cnn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000809735288 783319838 /nfs/dbraw/zinc/31/98/38/783319838.db2.gz ZUGLJPDKQJOYJO-UHFFFAOYSA-N 1 0 338.371 2.141 10 5 EEBERO COc1cc(Cc2noc([C@@H]3CCC[NH2+]C3)n2)c([N+](=O)[O-])c(OC)c1 ZINC000823145413 787566368 /nfs/dbraw/zinc/56/63/68/787566368.db2.gz HHDLAQSVKAVHEN-SNVBAGLBSA-N 1 0 348.359 2.053 10 5 EEBERO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000912653496 788283454 /nfs/dbraw/zinc/28/34/54/788283454.db2.gz RNEAWCGVDCKBGK-SFHVURJKSA-N 1 0 347.415 2.111 10 5 EEBERO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001144218862 789379924 /nfs/dbraw/zinc/37/99/24/789379924.db2.gz BRAUHUAXQZAVPR-ZETCQYMHSA-N 1 0 332.763 2.040 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923384930 789469429 /nfs/dbraw/zinc/46/94/29/789469429.db2.gz QBBFBRZSEVRXIB-QZTJIDSGSA-N 1 0 327.384 2.186 10 5 EEBERO CC[N@@H+]1CC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001148061628 792128299 /nfs/dbraw/zinc/12/82/99/792128299.db2.gz HOXIEJCTYYBVNT-INIZCTEOSA-N 1 0 333.388 2.059 10 5 EEBERO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001148547359 792522562 /nfs/dbraw/zinc/52/25/62/792522562.db2.gz KNYDDKOXFSARNO-PWSUYJOCSA-N 1 0 325.796 2.390 10 5 EEBERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913815951 794320294 /nfs/dbraw/zinc/32/02/94/794320294.db2.gz VZEMXENZGPNFNE-NEPJUHHUSA-N 1 0 338.795 2.139 10 5 EEBERO Cc1ccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)cc1[N+](=O)[O-] ZINC000785586700 806516914 /nfs/dbraw/zinc/51/69/14/806516914.db2.gz FPYBQKDJTRYXJZ-UHFFFAOYSA-N 1 0 348.428 2.486 10 5 EEBERO COC(=O)COc1ccc(C[NH2+][C@@H](C)C(C)(C)OC)cc1[N+](=O)[O-] ZINC000922581537 801375441 /nfs/dbraw/zinc/37/54/41/801375441.db2.gz NPBIWKBALGICQE-NSHDSACASA-N 1 0 340.376 2.050 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001446377492 1100756017 /nfs/dbraw/zinc/75/60/17/1100756017.db2.gz QHKIOOWMTMCQRH-SJCJKPOMSA-N 1 0 344.415 2.266 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cscn1 ZINC001497357643 1102375081 /nfs/dbraw/zinc/37/50/81/1102375081.db2.gz BWGUCPKIMHJYRN-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC001497591752 1102714415 /nfs/dbraw/zinc/71/44/15/1102714415.db2.gz VHALDRQQRHANLY-OWOJBTEDSA-N 1 0 332.385 2.127 10 5 EEBERO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460686911 1110320711 /nfs/dbraw/zinc/32/07/11/1110320711.db2.gz SHYNDWUVBNEIDN-VXGBXAGGSA-N 1 0 329.360 2.243 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001472234224 1110548942 /nfs/dbraw/zinc/54/89/42/1110548942.db2.gz ZHYJTSLIJUJYGI-ZDUSSCGKSA-N 1 0 337.807 2.249 10 5 EEBERO Cc1ccc(C[NH+]2CCC(Cc3nncn3C)CC2)cc1[N+](=O)[O-] ZINC001473811080 1110581714 /nfs/dbraw/zinc/58/17/14/1110581714.db2.gz SUKMSUDABZPDRM-UHFFFAOYSA-N 1 0 329.404 2.486 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccon1 ZINC001502168085 1113624749 /nfs/dbraw/zinc/62/47/49/1113624749.db2.gz ISBVULLYIHBHDA-UHFFFAOYSA-N 1 0 346.387 2.106 10 5 EEBERO Cc1nc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001569241030 1125188037 /nfs/dbraw/zinc/18/80/37/1125188037.db2.gz OJRGITMLFMBURB-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422916781 240288565 /nfs/dbraw/zinc/28/85/65/240288565.db2.gz FAYGJMQCVBWJOV-MSOLQXFVSA-N 1 0 333.432 2.274 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000230173525 242244503 /nfs/dbraw/zinc/24/45/03/242244503.db2.gz RYHHOFVNFOFVKB-WDSOQIARSA-N 1 0 342.395 2.136 10 5 EEBERO C[NH+](C)[C@@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccccc1 ZINC000447675052 242301384 /nfs/dbraw/zinc/30/13/84/242301384.db2.gz JUUKTLDTJMJMEO-OAHLLOKOSA-N 1 0 339.399 2.478 10 5 EEBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451262635 243055171 /nfs/dbraw/zinc/05/51/71/243055171.db2.gz XUSLTKWLXGPOGV-GXTWGEPZSA-N 1 0 332.360 2.238 10 5 EEBERO [NH3+]Cc1cccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000071700637 203104237 /nfs/dbraw/zinc/10/42/37/203104237.db2.gz CZPDZMWPCJPFFC-UHFFFAOYSA-N 1 0 329.312 2.077 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@](O)(CO)C3)o2)cc1 ZINC000459717914 245221352 /nfs/dbraw/zinc/22/13/52/245221352.db2.gz MOZMYDITIKKXDN-KRWDZBQOSA-N 1 0 332.356 2.174 10 5 EEBERO C[NH+](C)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045626541 204329992 /nfs/dbraw/zinc/32/99/92/204329992.db2.gz MBNUTVGFZOSGRG-UHFFFAOYSA-N 1 0 344.209 2.427 10 5 EEBERO Nc1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000264305831 246324483 /nfs/dbraw/zinc/32/44/83/246324483.db2.gz MNAOECDUQQLMGG-CYBMUJFWSA-N 1 0 334.424 2.059 10 5 EEBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000494671196 247001483 /nfs/dbraw/zinc/00/14/83/247001483.db2.gz VIZAWBFUULASKP-NXEZZACHSA-N 1 0 333.348 2.004 10 5 EEBERO CC(C)NC(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246401 207001854 /nfs/dbraw/zinc/00/18/54/207001854.db2.gz RJKQGWWXLQYMPR-UHFFFAOYSA-N 1 0 335.404 2.353 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177714268 207381785 /nfs/dbraw/zinc/38/17/85/207381785.db2.gz FZOCDFCGBBRDTF-UONOGXRCSA-N 1 0 334.420 2.338 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000268646944 289211633 /nfs/dbraw/zinc/21/16/33/289211633.db2.gz SYOZJCLDMWSLMJ-SECBINFHSA-N 1 0 329.198 2.283 10 5 EEBERO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000066333738 158998590 /nfs/dbraw/zinc/99/85/90/158998590.db2.gz OFWPTWWAIQZYAW-NSHDSACASA-N 1 0 347.462 2.057 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000245415842 160233139 /nfs/dbraw/zinc/23/31/39/160233139.db2.gz DPGPSIVDSQWJBO-PBHICJAKSA-N 1 0 346.431 2.116 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247449470 160325214 /nfs/dbraw/zinc/32/52/14/160325214.db2.gz QBTDIEUSMRMITE-JSGCOSHPSA-N 1 0 335.404 2.406 10 5 EEBERO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000248441040 160346367 /nfs/dbraw/zinc/34/63/67/160346367.db2.gz DLOHQXLUIZFUEJ-CRAIPNDOSA-N 1 0 344.415 2.259 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000342438700 161065624 /nfs/dbraw/zinc/06/56/24/161065624.db2.gz PFSHCQDDIBGLSG-MNOVXSKESA-N 1 0 341.358 2.357 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc2n1CCC2 ZINC000344860877 161251574 /nfs/dbraw/zinc/25/15/74/161251574.db2.gz NTMZRMMCVMSPCX-RAXLEYEMSA-N 1 0 327.388 2.368 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000368112976 166053260 /nfs/dbraw/zinc/05/32/60/166053260.db2.gz NSLIBZLEBSQKPD-SECBINFHSA-N 1 0 331.332 2.006 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000277666590 269169353 /nfs/dbraw/zinc/16/93/53/269169353.db2.gz XAICXRAUHWHOKT-YHWZYXNKSA-N 1 0 333.388 2.349 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000278326696 274346969 /nfs/dbraw/zinc/34/69/69/274346969.db2.gz ASSBUABJBUEUFX-CQSZACIVSA-N 1 0 347.415 2.229 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414653871 313057175 /nfs/dbraw/zinc/05/71/75/313057175.db2.gz INUMUJIRGKUCNW-TXEJJXNPSA-N 1 0 334.376 2.067 10 5 EEBERO O=C(CC[N@H+]1CC[C@H](O)CC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000420993246 314017370 /nfs/dbraw/zinc/01/73/70/314017370.db2.gz LTVNGCKYKWSMRH-ZDUSSCGKSA-N 1 0 333.388 2.303 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000439022374 315064249 /nfs/dbraw/zinc/06/42/49/315064249.db2.gz PIQKMUYARIXGHJ-CQSZACIVSA-N 1 0 338.408 2.118 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](C[C@H]3CCOC3)CC1)CCCC2 ZINC000563037228 318962320 /nfs/dbraw/zinc/96/23/20/318962320.db2.gz XZNSOBDPLFACAS-CQSZACIVSA-N 1 0 346.431 2.027 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000577749956 320273953 /nfs/dbraw/zinc/27/39/53/320273953.db2.gz HNMWYOLLJWFAMN-PBHICJAKSA-N 1 0 347.415 2.262 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000181968180 323361012 /nfs/dbraw/zinc/36/10/12/323361012.db2.gz CNCICZIDXBPLEC-ZIAGYGMSSA-N 1 0 338.429 2.491 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCc1ccco1 ZINC000128202337 462619114 /nfs/dbraw/zinc/61/91/14/462619114.db2.gz DBSACQOUKRIQPI-CYBMUJFWSA-N 1 0 331.372 2.415 10 5 EEBERO CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000090554588 462797732 /nfs/dbraw/zinc/79/77/32/462797732.db2.gz SMEUUTOAMLOLON-CVEARBPZSA-N 1 0 349.431 2.426 10 5 EEBERO CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000090554585 462797826 /nfs/dbraw/zinc/79/78/26/462797826.db2.gz SMEUUTOAMLOLON-JKSUJKDBSA-N 1 0 349.431 2.426 10 5 EEBERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000161342476 463422635 /nfs/dbraw/zinc/42/26/35/463422635.db2.gz XMGJGZIAADUJSL-AWEZNQCLSA-N 1 0 345.403 2.465 10 5 EEBERO CN(c1ncc([N+](=O)[O-])cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000124480206 463428786 /nfs/dbraw/zinc/42/87/86/463428786.db2.gz MTVUCIRQUDJEIV-ULKQDVFKSA-N 1 0 341.209 2.472 10 5 EEBERO C[C@H](Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C(C)(C)C[NH+](C)C ZINC000125487903 463549487 /nfs/dbraw/zinc/54/94/87/463549487.db2.gz ITZSSQBKHHOITL-NSHDSACASA-N 1 0 343.449 2.387 10 5 EEBERO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177525341 463727719 /nfs/dbraw/zinc/72/77/19/463727719.db2.gz IXJRERGGZMUEGV-VXGBXAGGSA-N 1 0 347.371 2.384 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000285280615 464509140 /nfs/dbraw/zinc/50/91/40/464509140.db2.gz FNLDXEPCVVPPGN-BETUJISGSA-N 1 0 337.376 2.041 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246556091 464599879 /nfs/dbraw/zinc/59/98/79/464599879.db2.gz XQJSKPWVTOJSLU-BBRMVZONSA-N 1 0 334.420 2.467 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000247522076 464690385 /nfs/dbraw/zinc/69/03/85/464690385.db2.gz WVZMDKRMINSVQK-DOMZBBRYSA-N 1 0 343.387 2.313 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721808 464984868 /nfs/dbraw/zinc/98/48/68/464984868.db2.gz MYUPTMFFZGEHMB-WMZOPIPTSA-N 1 0 333.432 2.409 10 5 EEBERO CS(=O)(=O)CC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000366421548 465717813 /nfs/dbraw/zinc/71/78/13/465717813.db2.gz DMKZXVHLLKSCLZ-HNNXBMFYSA-N 1 0 340.445 2.427 10 5 EEBERO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340147276 465814628 /nfs/dbraw/zinc/81/46/28/465814628.db2.gz JXDGQRKWBOGESS-OAHLLOKOSA-N 1 0 342.399 2.314 10 5 EEBERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301235015 465926570 /nfs/dbraw/zinc/92/65/70/465926570.db2.gz LGTHJUNJYGYTRB-FRRDWIJNSA-N 1 0 334.420 2.472 10 5 EEBERO CN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349799903 466246206 /nfs/dbraw/zinc/24/62/06/466246206.db2.gz JNKFQMVHNCOJEH-MRXNPFEDSA-N 1 0 332.404 2.015 10 5 EEBERO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347016331 466322079 /nfs/dbraw/zinc/32/20/79/466322079.db2.gz NZFJVIQYIHDGKR-CQSZACIVSA-N 1 0 335.429 2.382 10 5 EEBERO Cc1cc(N(C)C[C@H]2CCS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340770465 466324949 /nfs/dbraw/zinc/32/49/49/466324949.db2.gz DDXLWWSMUZKIBR-GFCCVEGCSA-N 1 0 349.412 2.322 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358192185 466527463 /nfs/dbraw/zinc/52/74/63/466527463.db2.gz PFWSXZSAPFHBKW-UHFFFAOYSA-N 1 0 332.404 2.089 10 5 EEBERO Cc1c(NC(=O)N(C)CC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415664558 466705276 /nfs/dbraw/zinc/70/52/76/466705276.db2.gz UFHKHMPNNAVPEP-UHFFFAOYSA-N 1 0 331.170 2.088 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000424051428 466964032 /nfs/dbraw/zinc/96/40/32/466964032.db2.gz JOXLLPRWZQRDKY-UHFFFAOYSA-N 1 0 332.404 2.141 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418587956 467132209 /nfs/dbraw/zinc/13/22/09/467132209.db2.gz HIVHPQPMVKDJMS-MLGOLLRUSA-N 1 0 332.404 2.267 10 5 EEBERO CCN1CC[NH+](CC(C)(C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450924109 467207623 /nfs/dbraw/zinc/20/76/23/467207623.db2.gz SOSXPVQRZRODCF-UHFFFAOYSA-N 1 0 346.435 2.299 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450364625 467835966 /nfs/dbraw/zinc/83/59/66/467835966.db2.gz YZGGIEFOANAQHJ-CYBMUJFWSA-N 1 0 330.388 2.036 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000589518141 468160109 /nfs/dbraw/zinc/16/01/09/468160109.db2.gz AABOZJUVCDRQFO-XJKSGUPXSA-N 1 0 347.415 2.440 10 5 EEBERO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000591986532 468590608 /nfs/dbraw/zinc/59/06/08/468590608.db2.gz ROQSELFNBXKRLM-WBVHZDCISA-N 1 0 326.400 3.056 10 5 EEBERO C[C@@H]1CC[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600712175 468629255 /nfs/dbraw/zinc/62/92/55/468629255.db2.gz XJHJYLKVFWPWRH-INWMFGNUSA-N 1 0 329.404 2.148 10 5 EEBERO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000592178389 468647097 /nfs/dbraw/zinc/64/70/97/468647097.db2.gz ZZUGERFLFAWXFM-QGZVFWFLSA-N 1 0 342.399 2.451 10 5 EEBERO C[C@@]1(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594731993 468666878 /nfs/dbraw/zinc/66/68/78/468666878.db2.gz IXSNEARWJVLXSM-BXUZGUMPSA-N 1 0 330.331 2.360 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425633 468696019 /nfs/dbraw/zinc/69/60/19/468696019.db2.gz LYJACJAHXDCPHJ-HIFRSBDPSA-N 1 0 347.415 2.330 10 5 EEBERO COc1cc(C[NH2+]CC(O)(C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000594985209 468737873 /nfs/dbraw/zinc/73/78/73/468737873.db2.gz ZFHGKUWTAQCFEF-UHFFFAOYSA-N 1 0 336.388 2.253 10 5 EEBERO COc1cc(C[NH2+]CCc2cncc(C)n2)c([N+](=O)[O-])cc1OC ZINC000594988991 468739343 /nfs/dbraw/zinc/73/93/43/468739343.db2.gz SVEJLEYZNZZXTH-UHFFFAOYSA-N 1 0 332.360 2.043 10 5 EEBERO C[C@H]1CCC[N@H+](CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601104943 468742473 /nfs/dbraw/zinc/74/24/73/468742473.db2.gz NQZBHTCBHWUPPO-VIFPVBQESA-N 1 0 335.330 2.491 10 5 EEBERO C[C@H]1C[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000601119689 468749210 /nfs/dbraw/zinc/74/92/10/468749210.db2.gz VPGXXZXOMFFWQJ-DTWKUNHWSA-N 1 0 335.330 2.266 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753556 468750665 /nfs/dbraw/zinc/75/06/65/468750665.db2.gz RTFOEDUXKDWJOQ-RDTXWAMCSA-N 1 0 346.431 2.306 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000601131425 468755370 /nfs/dbraw/zinc/75/53/70/468755370.db2.gz KBPPLOSGJVVXCN-VHSXEESVSA-N 1 0 347.341 2.268 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC3(CCOC3)CC2)c1 ZINC000593019160 468841368 /nfs/dbraw/zinc/84/13/68/468841368.db2.gz PYTZXACHXRPKTR-UHFFFAOYSA-N 1 0 334.372 2.384 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000593021162 468842014 /nfs/dbraw/zinc/84/20/14/468842014.db2.gz SJJFWJIXFXNSIZ-CHWSQXEVSA-N 1 0 335.404 2.296 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119127 468878134 /nfs/dbraw/zinc/87/81/34/468878134.db2.gz UTEQTHDDBHSTKE-FZMZJTMJSA-N 1 0 328.315 2.066 10 5 EEBERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000601502022 468897233 /nfs/dbraw/zinc/89/72/33/468897233.db2.gz IVEPFQVQRNPIFF-UHFFFAOYSA-N 1 0 347.462 2.151 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598597889 468927272 /nfs/dbraw/zinc/92/72/72/468927272.db2.gz WDIHDUNAMIIHCO-GFCCVEGCSA-N 1 0 343.449 2.220 10 5 EEBERO COC(=O)c1ccnc(NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000598596648 468927603 /nfs/dbraw/zinc/92/76/03/468927603.db2.gz RCGJZLPABVHSAC-VXGBXAGGSA-N 1 0 336.392 2.451 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595749722 468986029 /nfs/dbraw/zinc/98/60/29/468986029.db2.gz GTUOEKDWFILUSI-YVEFUNNKSA-N 1 0 333.388 2.159 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752712 468988655 /nfs/dbraw/zinc/98/86/55/468988655.db2.gz VNEYMLBJVOKWLG-YVEFUNNKSA-N 1 0 333.388 2.159 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595756447 468991480 /nfs/dbraw/zinc/99/14/80/468991480.db2.gz GDUDLGIWTMWRQO-DYVFJYSZSA-N 1 0 333.388 2.200 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593463856 468992121 /nfs/dbraw/zinc/99/21/21/468992121.db2.gz AHUPLTSJMRIAFO-CYBMUJFWSA-N 1 0 330.388 2.036 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595761718 468994206 /nfs/dbraw/zinc/99/42/06/468994206.db2.gz ZGNSSNWLIOHEEA-DCGLDWPTSA-N 1 0 333.388 2.199 10 5 EEBERO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935395 469090560 /nfs/dbraw/zinc/09/05/60/469090560.db2.gz SBCCBMURSCEAPC-INIZCTEOSA-N 1 0 331.416 2.376 10 5 EEBERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000599020803 469090728 /nfs/dbraw/zinc/09/07/28/469090728.db2.gz OMXHKUVOVCQDGV-OZQCQIJRSA-N 1 0 330.344 2.419 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000593728656 469111199 /nfs/dbraw/zinc/11/11/99/469111199.db2.gz BIIAQXCNUAOSIV-COXVUDFISA-N 1 0 335.404 2.161 10 5 EEBERO CC1(C)[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000596065154 469136294 /nfs/dbraw/zinc/13/62/94/469136294.db2.gz FDTRQWGEWSALBN-AAEUAGOBSA-N 1 0 330.331 2.215 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)CC3(O)CCC3)C2)cc1 ZINC000599433924 469254852 /nfs/dbraw/zinc/25/48/52/469254852.db2.gz MYUAKYAOTYQALL-WBVHZDCISA-N 1 0 334.416 2.440 10 5 EEBERO COc1cc(CN2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000611516371 469270849 /nfs/dbraw/zinc/27/08/49/469270849.db2.gz MEAZNOPXABMSAJ-UHFFFAOYSA-N 1 0 328.372 2.321 10 5 EEBERO CN1CCN(Cc2ccccc2)[C@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000596551386 469299174 /nfs/dbraw/zinc/29/91/74/469299174.db2.gz JTQSCHSWWJVTFZ-MRXNPFEDSA-N 1 0 341.415 2.218 10 5 EEBERO CC(C)C[C@@H](CO)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189590676 528336986 /nfs/dbraw/zinc/33/69/86/528336986.db2.gz OOJXXHDGIRGOKV-ZDUSSCGKSA-N 1 0 341.383 2.401 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000898616775 693396183 /nfs/dbraw/zinc/39/61/83/693396183.db2.gz SVARCVLTUGGDQZ-UHFFFAOYSA-N 1 0 330.388 2.089 10 5 EEBERO CCc1cc(C(=O)NCC[N@@H+](CC)Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001691008659 1176485311 /nfs/dbraw/zinc/48/53/11/1176485311.db2.gz ZUANIWSAVJSJJR-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1conc1C1CC1 ZINC001267425886 1178995197 /nfs/dbraw/zinc/99/51/97/1178995197.db2.gz KUORZBASFRHUSG-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO CCCCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC001482211121 1184096114 /nfs/dbraw/zinc/09/61/14/1184096114.db2.gz KPVGOKIZHQZYCD-UHFFFAOYSA-N 1 0 337.424 2.037 10 5 EEBERO Cc1nc(C)c(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001482994183 1187972951 /nfs/dbraw/zinc/97/29/51/1187972951.db2.gz XEUOLBKFOINECZ-WAYWQWQTSA-N 1 0 344.371 2.275 10 5 EEBERO [NH3+][C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[C@H]1C(F)(F)F ZINC000905725046 1189899155 /nfs/dbraw/zinc/89/91/55/1189899155.db2.gz XMUMPZAMIPTTOW-RKDXNWHRSA-N 1 0 341.293 2.254 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccccc1O ZINC001483717170 1190809234 /nfs/dbraw/zinc/80/92/34/1190809234.db2.gz XDIFZOZPCFLUDV-UHFFFAOYSA-N 1 0 341.367 2.353 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)C1CCOCC1 ZINC001273032519 1194339133 /nfs/dbraw/zinc/33/91/33/1194339133.db2.gz UFGDTYGBOYJIAH-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)c1cnco1 ZINC001273130100 1194413463 /nfs/dbraw/zinc/41/34/63/1194413463.db2.gz ZAGUDCWQHARBEM-UHFFFAOYSA-N 1 0 330.344 2.025 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000872082605 1198042101 /nfs/dbraw/zinc/04/21/01/1198042101.db2.gz YICJNWDAEMYEHM-CABZTGNLSA-N 1 0 337.401 2.115 10 5 EEBERO C[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872092314 1198045047 /nfs/dbraw/zinc/04/50/47/1198045047.db2.gz OCUWHHDEVCZSAQ-RYUDHWBXSA-N 1 0 325.384 2.230 10 5 EEBERO Cc1ccc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000868697432 1201861846 /nfs/dbraw/zinc/86/18/46/1201861846.db2.gz BHTWVPHMRZCVQW-AWEZNQCLSA-N 1 0 334.420 2.434 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000928434567 1206382958 /nfs/dbraw/zinc/38/29/58/1206382958.db2.gz JCHVBALVUYSMMQ-WFASDCNBSA-N 1 0 340.383 2.479 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000928450360 1206386104 /nfs/dbraw/zinc/38/61/04/1206386104.db2.gz IANPJWABISQSLE-IUODEOHRSA-N 1 0 332.404 2.017 10 5 EEBERO C[NH+](C)CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000928841820 1206426750 /nfs/dbraw/zinc/42/67/50/1206426750.db2.gz IPPFGWOITAWSPK-OAHLLOKOSA-N 1 0 328.372 2.413 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(Cc3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000930544281 1206566106 /nfs/dbraw/zinc/56/61/06/1206566106.db2.gz MLNSGZSMULKPBG-IINYFYTJSA-N 1 0 340.221 2.493 10 5 EEBERO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000932064063 1207529051 /nfs/dbraw/zinc/52/90/51/1207529051.db2.gz WCOLLDGHOWAWOR-OWCLPIDISA-N 1 0 334.372 2.105 10 5 EEBERO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000902906302 1239019210 /nfs/dbraw/zinc/01/92/10/1239019210.db2.gz SSBYSWQUIAQIJC-KGLIPLIRSA-N 1 0 336.417 2.296 10 5 EEBERO O=C(CN[C@H]1CC[NH2+]C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903466608 1240556321 /nfs/dbraw/zinc/55/63/21/1240556321.db2.gz XBOPRGAYRTYWRZ-ZDUSSCGKSA-N 1 0 338.795 2.061 10 5 EEBERO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850519930 1277257982 /nfs/dbraw/zinc/25/79/82/1277257982.db2.gz RGYPCLFTDSRCJX-VIFPVBQESA-N 1 0 340.323 2.223 10 5 EEBERO COc1ccc(NC(=O)C[NH2+]C2([C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC001198083867 1284961136 /nfs/dbraw/zinc/96/11/36/1284961136.db2.gz DPRQHIDOHOWTPB-OAHLLOKOSA-N 1 0 349.387 2.233 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000853793867 1292455711 /nfs/dbraw/zinc/45/57/11/1292455711.db2.gz BDVZPGFCLOYEOB-MRXNPFEDSA-N 1 0 342.399 2.356 10 5 EEBERO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000861345152 1295349816 /nfs/dbraw/zinc/34/98/16/1295349816.db2.gz ZLSBKKPSGAASKX-PXAZEXFGSA-N 1 0 347.371 2.342 10 5 EEBERO O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247435 1314582311 /nfs/dbraw/zinc/58/23/11/1314582311.db2.gz NHLNTWABRPKELZ-KRWDZBQOSA-N 1 0 345.399 2.201 10 5 EEBERO C[N@H+](CCCNC(=O)Cc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC001264975830 1322826758 /nfs/dbraw/zinc/82/67/58/1322826758.db2.gz GFZANRBRIRXPRL-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO CC[N@H+](CCNC(=O)c1c(C)ccn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317475238 1331608538 /nfs/dbraw/zinc/60/85/38/1331608538.db2.gz UGZXBWNTOLIKFW-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccsn1 ZINC001322558818 1333282539 /nfs/dbraw/zinc/28/25/39/1333282539.db2.gz LTCLXBHYTVGVOE-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1Cl ZINC001353605250 1338302499 /nfs/dbraw/zinc/30/24/99/1338302499.db2.gz JJLNVOKASHUNFE-NSHDSACASA-N 1 0 332.809 2.305 10 5 EEBERO Cc1c(CNC(=O)c2ccc(C[NH+](C)C)nc2)cccc1[N+](=O)[O-] ZINC001616299089 1352327523 /nfs/dbraw/zinc/32/75/23/1352327523.db2.gz NJIBKTOGJMKCBF-UHFFFAOYSA-N 1 0 328.372 2.290 10 5 EEBERO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001620616843 1352360908 /nfs/dbraw/zinc/36/09/08/1352360908.db2.gz MAJUQEGEWVGHRY-MLGOLLRUSA-N 1 0 335.404 2.453 10 5 EEBERO O=C(NCC[N@H+](Cc1cccc(Cl)c1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001567441154 1342761401 /nfs/dbraw/zinc/76/14/01/1342761401.db2.gz UHFAFZOZNNNKKO-HUUCEWRRSA-N 1 0 337.807 2.086 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)COC1CCCC1 ZINC001567469693 1342765724 /nfs/dbraw/zinc/76/57/24/1342765724.db2.gz WLQIDZISVFODOJ-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO CCC(=O)NC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001620582318 1344479429 /nfs/dbraw/zinc/47/94/29/1344479429.db2.gz GHNBPLJMQAQLKO-UHFFFAOYSA-N 1 0 335.404 2.354 10 5 EEBERO Nc1c(Cl)cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001597027317 1349917229 /nfs/dbraw/zinc/91/72/29/1349917229.db2.gz YDTHZASATPXZGA-SECBINFHSA-N 1 0 338.795 2.045 10 5 EEBERO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001625317205 1352446124 /nfs/dbraw/zinc/44/61/24/1352446124.db2.gz QCAFATYBWIJLBO-GVDBMIGSSA-N 1 0 331.416 2.165 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001643274300 1352745031 /nfs/dbraw/zinc/74/50/31/1352745031.db2.gz BJMICBSGNJCUJX-GFCCVEGCSA-N 1 0 345.359 2.369 10 5 EEBERO Cc1nocc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001667619650 1355770425 /nfs/dbraw/zinc/77/04/25/1355770425.db2.gz VPAQMNPKCJVEEH-UHFFFAOYSA-N 1 0 332.360 2.095 10 5 EEBERO C/C=C(\C)C(=O)NC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001674307072 1356815823 /nfs/dbraw/zinc/81/58/23/1356815823.db2.gz JEWPFVSMOWPIJM-LZWSPWQCSA-N 1 0 347.415 2.004 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000823979949 788006286 /nfs/dbraw/zinc/00/62/86/788006286.db2.gz FFYVOAXHYYVQEB-SMDDNHRTSA-N 1 0 335.408 2.371 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)n1 ZINC000912807679 788367125 /nfs/dbraw/zinc/36/71/25/788367125.db2.gz OHVKULZZOCYNDL-OLZOCXBDSA-N 1 0 337.424 2.004 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCC2)CC1 ZINC000912881422 788443393 /nfs/dbraw/zinc/44/33/93/788443393.db2.gz XDMCCEVFBSCOMI-UHFFFAOYSA-N 1 0 333.388 2.060 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000913275729 788751916 /nfs/dbraw/zinc/75/19/16/788751916.db2.gz VVQOSODTDZDLJU-NBMJBFSESA-N 1 0 343.427 2.499 10 5 EEBERO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000913532013 788972934 /nfs/dbraw/zinc/97/29/34/788972934.db2.gz GYGJPVCZMFYWKL-OKILXGFUSA-N 1 0 337.807 2.486 10 5 EEBERO Cc1ccc(NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])c1Br ZINC000804614719 810977953 /nfs/dbraw/zinc/97/79/53/810977953.db2.gz BPSCLWPPYUZULD-CYBMUJFWSA-N 1 0 344.209 2.144 10 5 EEBERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001451096862 1095772468 /nfs/dbraw/zinc/77/24/68/1095772468.db2.gz VBQNEUMYRYRNLC-UHFFFAOYSA-N 1 0 346.343 2.018 10 5 EEBERO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001450260233 1105335295 /nfs/dbraw/zinc/33/52/95/1105335295.db2.gz ISSMSSMAZFYCBL-ZWNOBZJWSA-N 1 0 325.796 2.342 10 5 EEBERO Nc1cc(CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc[nH+]1 ZINC001457428404 1109595046 /nfs/dbraw/zinc/59/50/46/1109595046.db2.gz CXGJVDNRKBFXGE-UHFFFAOYSA-N 1 0 347.350 2.046 10 5 EEBERO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(c2ccnn2C)CC1 ZINC001460724904 1110321926 /nfs/dbraw/zinc/32/19/26/1110321926.db2.gz SKMQSXRPJQMRIW-CYBMUJFWSA-N 1 0 330.388 2.373 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC001460927664 1110328456 /nfs/dbraw/zinc/32/84/56/1110328456.db2.gz CRUACMCERLTPDH-NSHDSACASA-N 1 0 346.412 2.215 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C(C)(C)C1 ZINC001472029717 1110539381 /nfs/dbraw/zinc/53/93/81/1110539381.db2.gz VAANTTKSNYRLTN-HNNXBMFYSA-N 1 0 331.416 2.473 10 5 EEBERO CC[C@]1(CO)CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473399013 1110574969 /nfs/dbraw/zinc/57/49/69/1110574969.db2.gz IVIZZXKJHFFJLO-MRXNPFEDSA-N 1 0 332.360 2.382 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCC([NH2+]C3CCOCC3)CC2)cc1F ZINC001473793012 1110580880 /nfs/dbraw/zinc/58/08/80/1110580880.db2.gz NAAUDXAFKWZAPX-UHFFFAOYSA-N 1 0 337.395 2.467 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]C/C=C\Cl)Cc1ccccc1 ZINC001501193527 1113236448 /nfs/dbraw/zinc/23/64/48/1113236448.db2.gz GTNBIHHLHOYDLX-DGPIVGRDSA-N 1 0 337.807 2.023 10 5 EEBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001516654711 1119012136 /nfs/dbraw/zinc/01/21/36/1119012136.db2.gz GBIQLUBGWIQILR-MRXNPFEDSA-N 1 0 346.387 2.337 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)cn1 ZINC001568736938 1124750969 /nfs/dbraw/zinc/75/09/69/1124750969.db2.gz LSOQWYHUQMIENT-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO C[C@@H]([NH3+])c1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000423828930 240654187 /nfs/dbraw/zinc/65/41/87/240654187.db2.gz QSKCEFULMAGMEJ-LLVKDONJSA-N 1 0 326.356 2.208 10 5 EEBERO Cc1c(CC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423974381 240765605 /nfs/dbraw/zinc/76/56/05/240765605.db2.gz NIRFVVRHEILFAP-DOTOQJQBSA-N 1 0 331.416 2.436 10 5 EEBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]12 ZINC000186904410 201686961 /nfs/dbraw/zinc/68/69/61/201686961.db2.gz GKKCEYUDLHGXTH-GGZOMVNGSA-N 1 0 341.314 2.006 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751166 204291363 /nfs/dbraw/zinc/29/13/63/204291363.db2.gz JNYMQUIYBKWURL-LJQANCHMSA-N 1 0 346.475 2.239 10 5 EEBERO C[C@@H](O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128611987 205152890 /nfs/dbraw/zinc/15/28/90/205152890.db2.gz KCRZMMLWKDKCNP-LLVKDONJSA-N 1 0 339.367 2.155 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000129130211 205180065 /nfs/dbraw/zinc/18/00/65/205180065.db2.gz KIFGFWCCGKRQEM-CYBMUJFWSA-N 1 0 340.383 2.453 10 5 EEBERO CCOC(=O)c1ccnc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000129723415 205208983 /nfs/dbraw/zinc/20/89/83/205208983.db2.gz WWXIZAOWHDUULI-AAEUAGOBSA-N 1 0 336.392 2.307 10 5 EEBERO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000133860429 205382218 /nfs/dbraw/zinc/38/22/18/205382218.db2.gz SVEMOIDPLFWEQP-ZDUSSCGKSA-N 1 0 335.408 2.046 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000377528784 284666493 /nfs/dbraw/zinc/66/64/93/284666493.db2.gz VLSJKFLTUMJYMP-SFHVURJKSA-N 1 0 340.383 2.359 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000174255447 207004171 /nfs/dbraw/zinc/00/41/71/207004171.db2.gz YHFXIGPFELSZAC-CJNGLKHVSA-N 1 0 334.420 2.261 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000175009559 207082659 /nfs/dbraw/zinc/08/26/59/207082659.db2.gz WSPWIFPSJFGSOV-DZGCQCFKSA-N 1 0 333.388 2.059 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094120871 159243092 /nfs/dbraw/zinc/24/30/92/159243092.db2.gz WXRGVUQOAAWKNK-OAHLLOKOSA-N 1 0 349.431 2.361 10 5 EEBERO O=C(CCN1CCC([NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000104080266 159282201 /nfs/dbraw/zinc/28/22/01/159282201.db2.gz BLPBUWITNXQLAO-UHFFFAOYSA-N 1 0 346.431 2.484 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246294370 160272123 /nfs/dbraw/zinc/27/21/23/160272123.db2.gz NMPHWZDWPWLMPN-XJKSGUPXSA-N 1 0 346.431 2.217 10 5 EEBERO CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)CS(=O)(=O)CC ZINC000352405655 162124016 /nfs/dbraw/zinc/12/40/16/162124016.db2.gz NZFOXRBMDFSNEN-LBPRGKRZSA-N 1 0 344.433 2.249 10 5 EEBERO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000352781133 162284088 /nfs/dbraw/zinc/28/40/88/162284088.db2.gz XOSRBKMBRQARQJ-KBPBESRZSA-N 1 0 333.388 2.094 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376595338 167357324 /nfs/dbraw/zinc/35/73/24/167357324.db2.gz MQGCIGVIWCRSIT-UHFFFAOYSA-N 1 0 333.388 2.350 10 5 EEBERO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000277739173 269177158 /nfs/dbraw/zinc/17/71/58/269177158.db2.gz PNFQLJRCVOINTF-HNNXBMFYSA-N 1 0 329.404 2.395 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000302061932 274004434 /nfs/dbraw/zinc/00/44/34/274004434.db2.gz BVOYBZSRULFGTP-UHFFFAOYSA-N 1 0 333.388 2.446 10 5 EEBERO COc1cc(CNC[C@@H]([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414842227 313100911 /nfs/dbraw/zinc/10/09/11/313100911.db2.gz YTZPJELXPUWJIQ-CQSZACIVSA-N 1 0 331.372 2.402 10 5 EEBERO Cc1c(NC(=O)N[C@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415658641 313163234 /nfs/dbraw/zinc/16/32/34/313163234.db2.gz NOMRNGOPJBPAPJ-VIFPVBQESA-N 1 0 343.181 2.149 10 5 EEBERO C[C@@H](NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128429 313431482 /nfs/dbraw/zinc/43/14/82/313431482.db2.gz ILBGVCUVBQBPDI-CXAGYDPISA-N 1 0 332.404 2.441 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000518430851 316726164 /nfs/dbraw/zinc/72/61/64/316726164.db2.gz STXRDMKDUMOZDL-PMPSAXMXSA-N 1 0 328.368 2.480 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000582973834 324567879 /nfs/dbraw/zinc/56/78/79/324567879.db2.gz KTUQILQKAOMLQV-CYBMUJFWSA-N 1 0 349.387 2.164 10 5 EEBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H]1n1cccn1 ZINC000339591269 465368553 /nfs/dbraw/zinc/36/85/53/465368553.db2.gz ANWMSXYQXFLADR-ARFHVFGLSA-N 1 0 334.351 2.439 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131266548 462801340 /nfs/dbraw/zinc/80/13/40/462801340.db2.gz WZCVDUIJHRQDLM-SNVBAGLBSA-N 1 0 349.840 2.257 10 5 EEBERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000067653118 463032025 /nfs/dbraw/zinc/03/20/25/463032025.db2.gz OSCCDEWKWRMLPU-MRXNPFEDSA-N 1 0 335.404 2.306 10 5 EEBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000121118045 463082094 /nfs/dbraw/zinc/08/20/94/463082094.db2.gz MYIVMQJVZDYPOA-JSGCOSHPSA-N 1 0 335.404 2.406 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080717705 463349828 /nfs/dbraw/zinc/34/98/28/463349828.db2.gz SUYJMOBAKDBGAV-AGUYFDCRSA-N 1 0 346.431 2.406 10 5 EEBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171454339 463867567 /nfs/dbraw/zinc/86/75/67/463867567.db2.gz HQDYVWMWEDRQIP-CYBMUJFWSA-N 1 0 328.372 2.386 10 5 EEBERO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000178580177 463925202 /nfs/dbraw/zinc/92/52/02/463925202.db2.gz DTZOUGQDDLRQOC-BBRMVZONSA-N 1 0 346.387 2.274 10 5 EEBERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178857094 463993887 /nfs/dbraw/zinc/99/38/87/463993887.db2.gz PDRJTSFWXMPTOM-STECZYCISA-N 1 0 348.399 2.434 10 5 EEBERO COc1cccc(F)c1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000179894866 464204997 /nfs/dbraw/zinc/20/49/97/464204997.db2.gz XGWFOXWTMNEQMJ-NSHDSACASA-N 1 0 335.335 2.255 10 5 EEBERO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000180226018 464269131 /nfs/dbraw/zinc/26/91/31/464269131.db2.gz OCIFGQXEWAUHRW-VVEVLUTRSA-N 1 0 331.416 2.261 10 5 EEBERO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000271691394 464360238 /nfs/dbraw/zinc/36/02/38/464360238.db2.gz KIRPIGZSNDRNJV-LBPRGKRZSA-N 1 0 349.412 2.136 10 5 EEBERO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238131920 464433878 /nfs/dbraw/zinc/43/38/78/464433878.db2.gz ZYIZIMKMXBKHJS-IPYPFGDCSA-N 1 0 332.404 2.044 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000348181664 465475407 /nfs/dbraw/zinc/47/54/07/465475407.db2.gz RFRVVZSNUUMXCR-INIZCTEOSA-N 1 0 346.431 2.400 10 5 EEBERO CC[NH+](CC)CCN(CC(C)C)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000189721420 464543182 /nfs/dbraw/zinc/54/31/82/464543182.db2.gz UDMPABMMEMKTOM-UHFFFAOYSA-N 1 0 334.424 2.442 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000265919138 464734077 /nfs/dbraw/zinc/73/40/77/464734077.db2.gz BRQBOXUXZWSWRU-ZFWWWQNUSA-N 1 0 344.415 2.491 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183096397 464795894 /nfs/dbraw/zinc/79/58/94/464795894.db2.gz YWGWCGXSILAVEO-BXUZGUMPSA-N 1 0 337.376 2.089 10 5 EEBERO C[NH+](C)Cc1cc(CNC(=O)CCC(C)(C)[N+](=O)[O-])ccc1F ZINC000295389849 464813616 /nfs/dbraw/zinc/81/36/16/464813616.db2.gz YJYTXCWBUSNJIX-UHFFFAOYSA-N 1 0 325.384 2.339 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000286208371 464840140 /nfs/dbraw/zinc/84/01/40/464840140.db2.gz MQNSTFWDBQOFHE-JSGCOSHPSA-N 1 0 348.403 2.005 10 5 EEBERO COCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183294381 464844975 /nfs/dbraw/zinc/84/49/75/464844975.db2.gz SWTMVBYKRZSPNR-UHFFFAOYSA-N 1 0 349.431 2.268 10 5 EEBERO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1c1ccc([N+](=O)[O-])cn1 ZINC000252539886 464982683 /nfs/dbraw/zinc/98/26/83/464982683.db2.gz OQAMNCASRFQGEC-KBPBESRZSA-N 1 0 336.436 2.440 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593918121 468432449 /nfs/dbraw/zinc/43/24/49/468432449.db2.gz AUWKZJOQJXTXBD-FVQBIDKESA-N 1 0 333.388 2.096 10 5 EEBERO CC(C)[N@H+](C)CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597096651 468442747 /nfs/dbraw/zinc/44/27/47/468442747.db2.gz CMTVCZOFYIEBSD-UHFFFAOYSA-N 1 0 329.788 2.292 10 5 EEBERO C[C@H]1C[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000597103984 468444026 /nfs/dbraw/zinc/44/40/26/468444026.db2.gz OPEOSWQUBVFERR-WCBMZHEXSA-N 1 0 341.799 2.435 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000591370623 468461452 /nfs/dbraw/zinc/46/14/52/468461452.db2.gz LRPIGIIEBKZUQZ-STQMWFEESA-N 1 0 330.388 2.034 10 5 EEBERO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000594040165 468469121 /nfs/dbraw/zinc/46/91/21/468469121.db2.gz DWHRHFNREPSOIE-RDJZCZTQSA-N 1 0 347.415 2.421 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301969165 466069115 /nfs/dbraw/zinc/06/91/15/466069115.db2.gz ZXGFMWPULPLQCQ-TZMCWYRMSA-N 1 0 333.388 2.444 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CCCC[C@H]([NH+]4CCCC4)C3)nn21 ZINC000301960337 466069396 /nfs/dbraw/zinc/06/93/96/466069396.db2.gz HNSGHEWNJUTWIC-ZDUSSCGKSA-N 1 0 330.392 2.092 10 5 EEBERO O=C([C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000349343241 466074519 /nfs/dbraw/zinc/07/45/19/466074519.db2.gz CELMDIBHUGNQSY-OAHLLOKOSA-N 1 0 347.415 2.308 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000302757264 466179696 /nfs/dbraw/zinc/17/96/96/466179696.db2.gz IYLUXWXYQMPICF-JTQLQIEISA-N 1 0 329.198 2.283 10 5 EEBERO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000353945969 466272992 /nfs/dbraw/zinc/27/29/92/466272992.db2.gz DARBYWGRNXWQEN-SWLSCSKDSA-N 1 0 341.433 2.060 10 5 EEBERO Cc1c([C@H](C)[NH2+][C@H]2CCN(C3CCOCC3)C2=O)cccc1[N+](=O)[O-] ZINC000367413287 466320979 /nfs/dbraw/zinc/32/09/79/466320979.db2.gz QYEHKOJAZVSQOH-BBRMVZONSA-N 1 0 347.415 2.334 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000597223861 468485611 /nfs/dbraw/zinc/48/56/11/468485611.db2.gz VOMHYENXGCGFJS-UHFFFAOYSA-N 1 0 333.432 2.447 10 5 EEBERO CN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000350093682 466383648 /nfs/dbraw/zinc/38/36/48/466383648.db2.gz GMOMKQYQUOMCJS-OAHLLOKOSA-N 1 0 342.403 2.063 10 5 EEBERO O=C(CN1CC[C@@H](Cc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363775851 466610967 /nfs/dbraw/zinc/61/09/67/466610967.db2.gz HPRNQZYSLOYEKE-HNNXBMFYSA-N 1 0 340.383 2.493 10 5 EEBERO C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@H]1C(=O)OC(C)(C)C ZINC000425511819 467102895 /nfs/dbraw/zinc/10/28/95/467102895.db2.gz DYMQVERACWMBPU-TZMCWYRMSA-N 1 0 338.408 2.234 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC([NH2+]C(C)C)CC2)c1 ZINC000589499578 468156241 /nfs/dbraw/zinc/15/62/41/468156241.db2.gz VJOURUCIBILZMM-UHFFFAOYSA-N 1 0 335.404 2.344 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000589495944 468156862 /nfs/dbraw/zinc/15/68/62/468156862.db2.gz MDPLLNRJKITAIJ-INIZCTEOSA-N 1 0 347.415 2.442 10 5 EEBERO [NH3+]C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)(F)F ZINC000594583407 468627086 /nfs/dbraw/zinc/62/70/86/468627086.db2.gz LATHRPISCNPGRB-SECBINFHSA-N 1 0 329.225 2.175 10 5 EEBERO CCOc1cc(CN2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592184167 468647815 /nfs/dbraw/zinc/64/78/15/468647815.db2.gz FFFCILUEQOYCKF-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601016261 468719582 /nfs/dbraw/zinc/71/95/82/468719582.db2.gz IQPWSNFSRQPPDK-CQSZACIVSA-N 1 0 329.400 2.369 10 5 EEBERO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000597946344 468721170 /nfs/dbraw/zinc/72/11/70/468721170.db2.gz OTRNJMPEIOKDSI-ZDUSSCGKSA-N 1 0 325.796 2.343 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000595026343 468745286 /nfs/dbraw/zinc/74/52/86/468745286.db2.gz KYUFIXGIBMKFSG-NWJSVONSSA-N 1 0 333.388 2.263 10 5 EEBERO C[C@](CO)([NH2+]Cc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000601150064 468762697 /nfs/dbraw/zinc/76/26/97/468762697.db2.gz TYZWNVBFKRRZID-GOSISDBHSA-N 1 0 344.367 2.363 10 5 EEBERO CC[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000601281261 468809148 /nfs/dbraw/zinc/80/91/48/468809148.db2.gz MHKHLTLIMNJUNQ-INIZCTEOSA-N 1 0 345.403 2.234 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000601335871 468830781 /nfs/dbraw/zinc/83/07/81/468830781.db2.gz ZDQDRNNXPZPDGM-DZGCQCFKSA-N 1 0 343.387 2.219 10 5 EEBERO COCC[N@@H+]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000595562551 468902917 /nfs/dbraw/zinc/90/29/17/468902917.db2.gz HLZVVKAWSYGZTM-UHFFFAOYSA-N 1 0 325.384 2.277 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595659861 468943218 /nfs/dbraw/zinc/94/32/18/468943218.db2.gz BGPHFVSUPVHDOR-OAHLLOKOSA-N 1 0 349.435 2.179 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000598716269 468971091 /nfs/dbraw/zinc/97/10/91/468971091.db2.gz GMLBVZONZGVMEI-UHFFFAOYSA-N 1 0 329.303 2.019 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595749719 468987001 /nfs/dbraw/zinc/98/70/01/468987001.db2.gz GTUOEKDWFILUSI-PXAZEXFGSA-N 1 0 333.388 2.159 10 5 EEBERO Cc1c(NC(=O)CC[NH2+][C@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595779240 469004840 /nfs/dbraw/zinc/00/48/40/469004840.db2.gz BARIIJPUISOAIZ-LSDHHAIUSA-N 1 0 333.388 2.125 10 5 EEBERO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000595778763 469005311 /nfs/dbraw/zinc/00/53/11/469005311.db2.gz UZGMAGSNTKSZJZ-HUUCEWRRSA-N 1 0 349.431 2.472 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826555 469029996 /nfs/dbraw/zinc/02/99/96/469029996.db2.gz AMOVZBVPZCFCRW-KGLIPLIRSA-N 1 0 333.388 2.200 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)o1 ZINC000598990690 469078753 /nfs/dbraw/zinc/07/87/53/469078753.db2.gz QOCUNUCZEJITGV-WBVHZDCISA-N 1 0 332.356 2.484 10 5 EEBERO C[C@H]1C[C@H](C)C[NH+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587268102 469088217 /nfs/dbraw/zinc/08/82/17/469088217.db2.gz QLZLGSXCPCGZHR-STQMWFEESA-N 1 0 336.436 2.449 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(Cc2ccco2)C1 ZINC000601962093 469115101 /nfs/dbraw/zinc/11/51/01/469115101.db2.gz CIOWESYSPDQGMN-AWEZNQCLSA-N 1 0 332.356 2.102 10 5 EEBERO Cc1cccc2c1CCC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596070994 469140685 /nfs/dbraw/zinc/14/06/85/469140685.db2.gz VDMFGTYDEYGOST-WMLDXEAASA-N 1 0 330.388 2.128 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000599160217 469141980 /nfs/dbraw/zinc/14/19/80/469141980.db2.gz KEXDEPLIPMKYAK-UHFFFAOYSA-N 1 0 338.383 2.007 10 5 EEBERO COC(=O)c1cnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164011 469143614 /nfs/dbraw/zinc/14/36/14/469143614.db2.gz HQJYYFMAVKDYEC-CYBMUJFWSA-N 1 0 334.376 2.205 10 5 EEBERO CC(C)[NH2+]C1(CO)CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000596251693 469221435 /nfs/dbraw/zinc/22/14/35/469221435.db2.gz WROYXHKSNFGUNH-UHFFFAOYSA-N 1 0 344.415 2.472 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000611336146 469230476 /nfs/dbraw/zinc/23/04/76/469230476.db2.gz SRXPQNKKNKZMAT-GUYCJALGSA-N 1 0 347.415 2.334 10 5 EEBERO CC1(C)CCC[C@@](CO)([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599593987 469302630 /nfs/dbraw/zinc/30/26/30/469302630.db2.gz JDNRFGRTKSLKSN-QGZVFWFLSA-N 1 0 335.404 2.454 10 5 EEBERO CC(C)[C@H]([NH3+])CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596655337 469323816 /nfs/dbraw/zinc/32/38/16/469323816.db2.gz VKSUOBKTDMZKNM-HZPDHXFCSA-N 1 0 331.420 2.381 10 5 EEBERO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599654358 469327072 /nfs/dbraw/zinc/32/70/72/469327072.db2.gz ZSACRGWUPRBNEF-DKTWLAJQSA-N 1 0 331.294 2.309 10 5 EEBERO C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599829703 469385272 /nfs/dbraw/zinc/38/52/72/469385272.db2.gz CFXBYTRJWWVXAT-UHFFFAOYSA-N 1 0 329.360 2.359 10 5 EEBERO CC1(C)C[C@H]([NH2+]CCC2CS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618988263 469489625 /nfs/dbraw/zinc/48/96/25/469489625.db2.gz GUJFXFIYWVOAJJ-HNNXBMFYSA-N 1 0 338.429 2.342 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000595828938 485609696 /nfs/dbraw/zinc/60/96/96/485609696.db2.gz NKPDUAVMEGFTIG-CQSZACIVSA-N 1 0 333.388 2.048 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414943321 534082281 /nfs/dbraw/zinc/08/22/81/534082281.db2.gz FHJSJXCRAFMNJN-KCJUWKMLSA-N 1 0 344.318 2.316 10 5 EEBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451253860 535962558 /nfs/dbraw/zinc/96/25/58/535962558.db2.gz KEWDSWOUIKNAHN-XJKSGUPXSA-N 1 0 335.404 2.325 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1SC ZINC000928450687 683206358 /nfs/dbraw/zinc/20/63/58/683206358.db2.gz UTNIJEILHDZGNI-MWLCHTKSSA-N 1 0 339.417 2.148 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C[C@]2(C)C1 ZINC000896912610 685824631 /nfs/dbraw/zinc/82/46/31/685824631.db2.gz ANULOGPLAKCNDK-RNCFNFMXSA-N 1 0 330.310 2.397 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ncccc1F ZINC001269513787 1184335593 /nfs/dbraw/zinc/33/55/93/1184335593.db2.gz ZOXKUWRCLOVCCA-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841892445 1188129241 /nfs/dbraw/zinc/12/92/41/1188129241.db2.gz YRXJFAUYLBIUAW-VXGBXAGGSA-N 1 0 327.812 2.135 10 5 EEBERO [NH3+]C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000872152129 1198059068 /nfs/dbraw/zinc/05/90/68/1198059068.db2.gz ZHXVAPJEPYEDRS-GWCFXTLKSA-N 1 0 333.310 2.043 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CCSC2)cc1 ZINC000872217505 1198092182 /nfs/dbraw/zinc/09/21/82/1198092182.db2.gz YFGCZQMOPCVYGJ-LBPRGKRZSA-N 1 0 344.458 2.101 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CCCS1 ZINC000872224069 1198096327 /nfs/dbraw/zinc/09/63/27/1198096327.db2.gz UIUBNFLUPFLZDL-CHWSQXEVSA-N 1 0 326.418 2.210 10 5 EEBERO Cn1cc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2cccnc21 ZINC000872233684 1198102891 /nfs/dbraw/zinc/10/28/91/1198102891.db2.gz FGVQAAIUXYTVMZ-QGZVFWFLSA-N 1 0 340.383 2.347 10 5 EEBERO CC(C)(C)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000872249075 1198111021 /nfs/dbraw/zinc/11/10/21/1198111021.db2.gz ZTWXDSCNWHLSSR-LBPRGKRZSA-N 1 0 338.433 2.301 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825708359 1198773222 /nfs/dbraw/zinc/77/32/22/1198773222.db2.gz GNLMYZLLDFFMPB-LBPRGKRZSA-N 1 0 341.795 2.089 10 5 EEBERO CO[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000866386287 1201505184 /nfs/dbraw/zinc/50/51/84/1201505184.db2.gz ZKZFNVQIBFGYPS-DETPVDSQSA-N 1 0 326.368 2.306 10 5 EEBERO O=C(C[NH2+][C@@H]1CCC[C@]12CCCO2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880506019 1201506914 /nfs/dbraw/zinc/50/69/14/1201506914.db2.gz HYXPWGLJOBFCKV-AEFFLSMTSA-N 1 0 345.399 2.175 10 5 EEBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866413054 1201511306 /nfs/dbraw/zinc/51/13/06/1201511306.db2.gz FLWJHTQPOIBRMD-HOCLYGCPSA-N 1 0 335.448 2.351 10 5 EEBERO O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000866724119 1201590161 /nfs/dbraw/zinc/59/01/61/1201590161.db2.gz IKVHKMZWLWGTML-UONOGXRCSA-N 1 0 338.795 2.013 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868382751 1201803486 /nfs/dbraw/zinc/80/34/86/1201803486.db2.gz KIPODUJNADALBT-JSGCOSHPSA-N 1 0 332.404 2.328 10 5 EEBERO COc1cc(C[N@@H+]2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000930911197 1206591883 /nfs/dbraw/zinc/59/18/83/1206591883.db2.gz LVXZOBXLTMGSAR-FOGDFJRCSA-N 1 0 339.367 2.217 10 5 EEBERO CN1C[C@@H](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000903215626 1240028653 /nfs/dbraw/zinc/02/86/53/1240028653.db2.gz MBFKJIGXOQUZBS-BBRMVZONSA-N 1 0 331.416 2.374 10 5 EEBERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CS1(=O)=O ZINC000827165562 1250333026 /nfs/dbraw/zinc/33/30/26/1250333026.db2.gz ZMQYCTPFHCHPAI-GXSJLCMTSA-N 1 0 332.809 2.304 10 5 EEBERO CC(=O)c1ccc(N2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000826772897 1248057918 /nfs/dbraw/zinc/05/79/18/1248057918.db2.gz FEHVJXWJAYVDEG-UHFFFAOYSA-N 1 0 333.388 2.098 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850495312 1277245760 /nfs/dbraw/zinc/24/57/60/1277245760.db2.gz ZRNZVCHYGWAVIT-KPWVOAKYSA-N 1 0 336.335 2.483 10 5 EEBERO Cn1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001490176707 1291011036 /nfs/dbraw/zinc/01/10/36/1291011036.db2.gz RHJAMVLPTRIESG-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO O=[N+]([O-])c1ccc(F)cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863574253 1296340551 /nfs/dbraw/zinc/34/05/51/1296340551.db2.gz HEOUUBJLKXOFPM-INIZCTEOSA-N 1 0 337.395 2.324 10 5 EEBERO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CS(C)(=O)=O ZINC000926954941 1296968140 /nfs/dbraw/zinc/96/81/40/1296968140.db2.gz ISPACDCQCGWVED-CYBMUJFWSA-N 1 0 326.418 2.243 10 5 EEBERO C[N@H+](CCCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C1CC1 ZINC000840316954 1315350306 /nfs/dbraw/zinc/35/03/06/1315350306.db2.gz WNHMNTOSRBFGIQ-UHFFFAOYSA-N 1 0 334.376 2.212 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161875 1315492980 /nfs/dbraw/zinc/49/29/80/1315492980.db2.gz OTYZIUWBPDNPIR-XVKPBYJWSA-N 1 0 343.181 2.311 10 5 EEBERO C[C@H](O)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000843086794 1315838034 /nfs/dbraw/zinc/83/80/34/1315838034.db2.gz JEBOVDLHDWCRQL-MZPVMMEZSA-N 1 0 334.347 2.479 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)n1 ZINC001319896451 1332793503 /nfs/dbraw/zinc/79/35/03/1332793503.db2.gz PZDIATNJUZSVML-UHFFFAOYSA-N 1 0 329.360 2.176 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1=COCCC1 ZINC001322442348 1333264217 /nfs/dbraw/zinc/26/42/17/1333264217.db2.gz YEGLGNLWQFGKEF-UHFFFAOYSA-N 1 0 333.388 2.227 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCOCC1 ZINC001322737498 1333317396 /nfs/dbraw/zinc/31/73/96/1333317396.db2.gz GFRPQNXRBALUPF-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CC(C)[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001328128896 1334401659 /nfs/dbraw/zinc/40/16/59/1334401659.db2.gz QKXVFEIMDZIDEP-IAGOWNOFSA-N 1 0 345.443 2.210 10 5 EEBERO C/C=C(/C)C(=O)N1CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001328155328 1334406881 /nfs/dbraw/zinc/40/68/81/1334406881.db2.gz XGDCZQUPALZOEW-BNNQUZSASA-N 1 0 347.415 2.004 10 5 EEBERO CCOP(=O)(OCC)[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329877763 1334732239 /nfs/dbraw/zinc/73/22/39/1334732239.db2.gz IPSPHUIBQJQRDB-AWEZNQCLSA-N 1 0 344.304 2.495 10 5 EEBERO C[C@@]12COC[C@@H]1C[N@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C2 ZINC001333721214 1336114682 /nfs/dbraw/zinc/11/46/82/1336114682.db2.gz FKRUJKPNBQMGRA-WMLDXEAASA-N 1 0 328.372 2.384 10 5 EEBERO CC1(C)[C@@H]2C[N@@H+](CN3CC[C@@H](c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]21 ZINC000848480121 1338705614 /nfs/dbraw/zinc/70/56/14/1338705614.db2.gz NYMUKPNNCQOIAV-HRCADAONSA-N 1 0 329.400 2.456 10 5 EEBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1F ZINC001603076749 1350634288 /nfs/dbraw/zinc/63/42/88/1350634288.db2.gz QXJIESWFSDSFGF-LLVKDONJSA-N 1 0 339.342 2.253 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001627251081 1352488799 /nfs/dbraw/zinc/48/87/99/1352488799.db2.gz IRVKLMJRYCABGR-INIZCTEOSA-N 1 0 335.404 2.210 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001628950626 1352545973 /nfs/dbraw/zinc/54/59/73/1352545973.db2.gz JCXDIYUTMGFGIU-AWEZNQCLSA-N 1 0 340.383 2.181 10 5 EEBERO Cn1ccnc1[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC001646468794 1352848672 /nfs/dbraw/zinc/84/86/72/1352848672.db2.gz LQZJGKRCBSVSEM-HNNXBMFYSA-N 1 0 348.403 2.057 10 5 EEBERO Cc1nccnc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001648240863 1353421548 /nfs/dbraw/zinc/42/15/48/1353421548.db2.gz ROBSMXCOKUYNJE-NSHDSACASA-N 1 0 329.360 2.373 10 5 EEBERO CC[C@@H](C)[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001654845226 1354159499 /nfs/dbraw/zinc/15/94/99/1354159499.db2.gz YDTVCLRVRYWYJQ-OLZOCXBDSA-N 1 0 343.449 2.240 10 5 EEBERO CC(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001656187643 1354212340 /nfs/dbraw/zinc/21/23/40/1354212340.db2.gz GWNGKQRRFVUOLG-AULYBMBSSA-N 1 0 341.433 2.066 10 5 EEBERO C[N@H+](CCCNC(=O)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001660341202 1354444020 /nfs/dbraw/zinc/44/40/20/1354444020.db2.gz GCMSJTIPOIIQKI-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO CCc1oncc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001664217653 1355115489 /nfs/dbraw/zinc/11/54/89/1355115489.db2.gz PMULYAFDCOSYGU-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)COC(C)(C)C ZINC001668408952 1355935496 /nfs/dbraw/zinc/93/54/96/1355935496.db2.gz IRUCFUOQOIQVRA-UHFFFAOYSA-N 1 0 337.420 2.348 10 5 EEBERO CCOCC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001672994084 1356627897 /nfs/dbraw/zinc/62/78/97/1356627897.db2.gz APZQIGGGRMRQDQ-UHFFFAOYSA-N 1 0 347.415 2.056 10 5 EEBERO CC(C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001699881426 1405547934 /nfs/dbraw/zinc/54/79/34/1405547934.db2.gz NVYXEOIFPPYRGG-UHFFFAOYSA-N 1 0 335.404 2.006 10 5 EEBERO Cc1cc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000072966890 776628302 /nfs/dbraw/zinc/62/83/02/776628302.db2.gz DFXBGPFMQSYIRB-HNNXBMFYSA-N 1 0 336.388 2.417 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000906792632 784163529 /nfs/dbraw/zinc/16/35/29/784163529.db2.gz ODMLHNKWPALWPD-GXSJLCMTSA-N 1 0 340.811 2.385 10 5 EEBERO O=C(NCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000818990002 785355004 /nfs/dbraw/zinc/35/50/04/785355004.db2.gz SLUYMOUNMQQAFW-KRWDZBQOSA-N 1 0 343.383 2.038 10 5 EEBERO O=C(NCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818990283 785355406 /nfs/dbraw/zinc/35/54/06/785355406.db2.gz WUWKBCBNZHILPC-QGZVFWFLSA-N 1 0 343.383 2.038 10 5 EEBERO C[NH+]1CCC2(CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000820581530 785983992 /nfs/dbraw/zinc/98/39/92/785983992.db2.gz VBEIVCKXFZFVTL-UHFFFAOYSA-N 1 0 344.415 2.402 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)n1 ZINC000585118019 786498953 /nfs/dbraw/zinc/49/89/53/786498953.db2.gz TWMBFQIHELPCSK-CHWSQXEVSA-N 1 0 334.376 2.061 10 5 EEBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000912600387 788255823 /nfs/dbraw/zinc/25/58/23/788255823.db2.gz PUNUDFAQKDCNQG-JKSUJKDBSA-N 1 0 347.415 2.353 10 5 EEBERO Cc1c(NC(=O)CCN2CC[C@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923539003 789742526 /nfs/dbraw/zinc/74/25/26/789742526.db2.gz MGIISBUMWNNVQY-SFHVURJKSA-N 1 0 346.431 2.450 10 5 EEBERO Cc1ccccc1[C@H](CO)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001176176029 798364641 /nfs/dbraw/zinc/36/46/41/798364641.db2.gz OJANMHKFCHXLSL-KRWDZBQOSA-N 1 0 343.383 2.168 10 5 EEBERO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182389653 801160504 /nfs/dbraw/zinc/16/05/04/801160504.db2.gz AWYKJQOQNWWSLW-CQSZACIVSA-N 1 0 326.356 2.133 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001439884459 1092936171 /nfs/dbraw/zinc/93/61/71/1092936171.db2.gz JDJOVPSUNXVFHS-LBPRGKRZSA-N 1 0 336.348 2.026 10 5 EEBERO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001495916678 1101761403 /nfs/dbraw/zinc/76/14/03/1101761403.db2.gz IHPLRJVNOBTTLS-NVXWUHKLSA-N 1 0 345.443 2.487 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC001497591111 1102714358 /nfs/dbraw/zinc/71/43/58/1102714358.db2.gz NZQNHPSUJWHIJC-UPHRSURJSA-N 1 0 332.385 2.127 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001448082944 1103962846 /nfs/dbraw/zinc/96/28/46/1103962846.db2.gz RQSACSPTDIBNGY-GHMZBOCLSA-N 1 0 326.784 2.043 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC001469337430 1110489639 /nfs/dbraw/zinc/48/96/39/1110489639.db2.gz ZYRRDIPLQNZNDD-BETUJISGSA-N 1 0 348.359 2.168 10 5 EEBERO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471841470 1110533105 /nfs/dbraw/zinc/53/31/05/1110533105.db2.gz ISVYDFCYWCGGGC-UHFFFAOYSA-N 1 0 329.316 2.378 10 5 EEBERO Cc1n[nH]cc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001473700317 1110579170 /nfs/dbraw/zinc/57/91/70/1110579170.db2.gz NYFHLSRQEDGLAP-UHFFFAOYSA-N 1 0 335.339 2.226 10 5 EEBERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001544199259 1124142846 /nfs/dbraw/zinc/14/28/46/1124142846.db2.gz KWAPJSDWDWKKCV-STQMWFEESA-N 1 0 334.420 2.275 10 5 EEBERO COC(=O)c1cc(NC(=O)C[N@H+](C)CC(C)(C)C)cc([N+](=O)[O-])c1 ZINC001544532460 1124156951 /nfs/dbraw/zinc/15/69/51/1124156951.db2.gz XMEQALMZTQESBY-UHFFFAOYSA-N 1 0 337.376 2.298 10 5 EEBERO CC(C)[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000054264670 214228220 /nfs/dbraw/zinc/22/82/20/214228220.db2.gz XPJBKXHLKCGTQG-UHFFFAOYSA-N 1 0 330.182 2.085 10 5 EEBERO Cc1c(C[NH2+]CCN2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000446797432 242222793 /nfs/dbraw/zinc/22/27/93/242222793.db2.gz QSGWETDVWRCYFE-UHFFFAOYSA-N 1 0 339.351 2.289 10 5 EEBERO C[NH+](C)CCN(Cc1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000071903983 203145218 /nfs/dbraw/zinc/14/52/18/203145218.db2.gz NTPHOOJZEXVNLQ-UHFFFAOYSA-N 1 0 346.362 2.333 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000126461339 205058430 /nfs/dbraw/zinc/05/84/30/205058430.db2.gz ARGWVTMSUORTLZ-PXAZEXFGSA-N 1 0 344.415 2.464 10 5 EEBERO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000128057578 205130200 /nfs/dbraw/zinc/13/02/00/205130200.db2.gz JZOKBTFCIMFCIK-INIZCTEOSA-N 1 0 349.431 2.476 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264941498 247066438 /nfs/dbraw/zinc/06/64/38/247066438.db2.gz IIRIQXPYNHZSIF-YPMHNXCESA-N 1 0 328.372 2.385 10 5 EEBERO Cc1c(C[NH+]2CCC(c3ccnn3CCO)CC2)cccc1[N+](=O)[O-] ZINC000195509683 140880554 /nfs/dbraw/zinc/88/05/54/140880554.db2.gz XYPQITUCQSJMJM-UHFFFAOYSA-N 1 0 344.415 2.472 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000125347491 292295706 /nfs/dbraw/zinc/29/57/06/292295706.db2.gz WSPTVWGGYZXCQV-CYBMUJFWSA-N 1 0 332.404 2.004 10 5 EEBERO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354931 160395161 /nfs/dbraw/zinc/39/51/61/160395161.db2.gz QYPWDFFRHUAGKW-IUODEOHRSA-N 1 0 334.376 2.419 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000076490765 159087285 /nfs/dbraw/zinc/08/72/85/159087285.db2.gz GBZWDMHODIRRQP-CJNGLKHVSA-N 1 0 335.404 2.162 10 5 EEBERO COc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)ccc1[N+](=O)[O-] ZINC000188761541 160128024 /nfs/dbraw/zinc/12/80/24/160128024.db2.gz DZHXQWCXRKXGJU-UHFFFAOYSA-N 1 0 327.340 2.137 10 5 EEBERO Cn1cc(CN2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245697688 160248557 /nfs/dbraw/zinc/24/85/57/160248557.db2.gz COIRBRNPFNWWKU-KRWDZBQOSA-N 1 0 341.415 2.275 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000245909117 160256544 /nfs/dbraw/zinc/25/65/44/160256544.db2.gz VFDRWSLZKRNIRW-YGRLFVJLSA-N 1 0 349.416 2.192 10 5 EEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000247914018 160332626 /nfs/dbraw/zinc/33/26/26/160332626.db2.gz ARGWVTMSUORTLZ-YVEFUNNKSA-N 1 0 344.415 2.464 10 5 EEBERO CC[C@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000343250070 161116902 /nfs/dbraw/zinc/11/69/02/161116902.db2.gz LWFWMRNTLIUONA-GWCFXTLKSA-N 1 0 347.375 2.223 10 5 EEBERO COc1cc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000344814430 161247834 /nfs/dbraw/zinc/24/78/34/161247834.db2.gz PFFFVBFMUKPAEK-GFCCVEGCSA-N 1 0 338.282 2.366 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@]2(O)CCOC2)c2ccccc2)c1 ZINC000352907639 162340552 /nfs/dbraw/zinc/34/05/52/162340552.db2.gz HHJITKQJRJBYMN-ROUUACIJSA-N 1 0 328.368 2.425 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000360102229 164233225 /nfs/dbraw/zinc/23/32/25/164233225.db2.gz PQFAETWFNPJJNQ-UHFFFAOYSA-N 1 0 332.404 2.383 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000419010700 274348871 /nfs/dbraw/zinc/34/88/71/274348871.db2.gz YNAGIRDHYJKEMR-QWHCGFSZSA-N 1 0 330.388 2.034 10 5 EEBERO C[N@@H+]1CC[C@@]2(CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000292058948 275369678 /nfs/dbraw/zinc/36/96/78/275369678.db2.gz CIHZDQMCRTVWDJ-QGZVFWFLSA-N 1 0 343.387 2.172 10 5 EEBERO CC[N@@H+]1CCC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448914184 315398730 /nfs/dbraw/zinc/39/87/30/315398730.db2.gz ATJWIUORSLTHLS-AWEZNQCLSA-N 1 0 333.388 2.158 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000525033116 317037223 /nfs/dbraw/zinc/03/72/23/317037223.db2.gz BBFHXMRPYXIBIP-HIFRSBDPSA-N 1 0 349.431 2.335 10 5 EEBERO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCO1 ZINC000541773323 318109151 /nfs/dbraw/zinc/10/91/51/318109151.db2.gz WHVDYJACCKCJLC-MRXNPFEDSA-N 1 0 336.388 2.447 10 5 EEBERO C[C@@H]1CC(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000563002650 318956334 /nfs/dbraw/zinc/95/63/34/318956334.db2.gz HNWJSFWRHQAAJX-IOASZLSFSA-N 1 0 338.404 2.128 10 5 EEBERO CC[N@H+](CCNc1ccc2ncc([N+](=O)[O-])n2n1)CCC(F)(F)F ZINC000491864750 448138454 /nfs/dbraw/zinc/13/84/54/448138454.db2.gz FWOBKFJVJBRROQ-UHFFFAOYSA-N 1 0 346.313 2.324 10 5 EEBERO C[NH+](C)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000339250238 465166279 /nfs/dbraw/zinc/16/62/79/465166279.db2.gz ZRXMDUXVHJYMLL-UHFFFAOYSA-N 1 0 326.356 2.254 10 5 EEBERO CC(C)c1ccc(C[NH2+]CC2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000086250703 462569078 /nfs/dbraw/zinc/56/90/78/462569078.db2.gz FFYQRBQOJKXSJK-UHFFFAOYSA-N 1 0 335.404 2.090 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cn1 ZINC000119972582 462947929 /nfs/dbraw/zinc/94/79/29/462947929.db2.gz VELJVWUARVGWOB-UHFFFAOYSA-N 1 0 337.767 2.259 10 5 EEBERO Cc1ccc(NCCCNC(=O)N2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000121377245 463125823 /nfs/dbraw/zinc/12/58/23/463125823.db2.gz RMOIDPKIRDKJRS-AWEZNQCLSA-N 1 0 349.435 2.051 10 5 EEBERO CO[C@@H]1CC[C@@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000158047645 463199128 /nfs/dbraw/zinc/19/91/28/463199128.db2.gz JKGOZPUPBPVLCP-OIISXLGYSA-N 1 0 336.388 2.242 10 5 EEBERO Cc1ccc(C(=O)NCC2([N@H+](C)CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000084190158 463583726 /nfs/dbraw/zinc/58/37/26/463583726.db2.gz OMESEVFOJDXDHH-UHFFFAOYSA-N 1 0 349.431 2.260 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000170858962 463723960 /nfs/dbraw/zinc/72/39/60/463723960.db2.gz CTYYQMJAPRKYCC-OAHLLOKOSA-N 1 0 346.431 2.361 10 5 EEBERO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277324023 463909996 /nfs/dbraw/zinc/90/99/96/463909996.db2.gz DOBSQVCSERZCQK-SKDRFNHKSA-N 1 0 327.768 2.201 10 5 EEBERO COc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000180839824 464406058 /nfs/dbraw/zinc/40/60/58/464406058.db2.gz NLSRCDDKAKKVBH-GFCCVEGCSA-N 1 0 347.371 2.125 10 5 EEBERO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000281310639 464409446 /nfs/dbraw/zinc/40/94/46/464409446.db2.gz IBPXGRDTEBPAAM-XBVQOTNRSA-N 1 0 349.431 2.018 10 5 EEBERO CCO[C@H](C)c1nc(CN(C)CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000174877752 464463368 /nfs/dbraw/zinc/46/33/68/464463368.db2.gz LNOFTEIEAOXEHJ-LLVKDONJSA-N 1 0 339.421 2.477 10 5 EEBERO CC[N@@H+]1CC[C@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272503916 464636126 /nfs/dbraw/zinc/63/61/26/464636126.db2.gz HQVFPPMQRQYUMQ-PBHICJAKSA-N 1 0 343.431 2.349 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272518162 464640306 /nfs/dbraw/zinc/64/03/06/464640306.db2.gz LARQHEKAMZZRNP-ZDUSSCGKSA-N 1 0 327.331 2.239 10 5 EEBERO COc1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000351917318 465440929 /nfs/dbraw/zinc/44/09/29/465440929.db2.gz OYRMQHRLTCQPCP-CQSZACIVSA-N 1 0 335.404 2.484 10 5 EEBERO Cc1cc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000600007744 468435432 /nfs/dbraw/zinc/43/54/32/468435432.db2.gz ZOXGMGLRMHBKEM-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[NH+]2CCC1CC2 ZINC000340155851 465824888 /nfs/dbraw/zinc/82/48/88/465824888.db2.gz QEICISIQECGJIY-QGZVFWFLSA-N 1 0 342.399 2.171 10 5 EEBERO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[NH+]2CCC1CC2 ZINC000340155850 465825139 /nfs/dbraw/zinc/82/51/39/465825139.db2.gz QEICISIQECGJIY-KRWDZBQOSA-N 1 0 342.399 2.171 10 5 EEBERO CCCC[N@H+](C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362797722 466035366 /nfs/dbraw/zinc/03/53/66/466035366.db2.gz MNNHGGMFCJCAJQ-UHFFFAOYSA-N 1 0 329.347 2.264 10 5 EEBERO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000338398680 466091502 /nfs/dbraw/zinc/09/15/02/466091502.db2.gz OXQVBQZZZGJLLF-LBPRGKRZSA-N 1 0 335.408 2.155 10 5 EEBERO O=C(Nc1nncs1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000361653394 466179533 /nfs/dbraw/zinc/17/95/33/466179533.db2.gz TXWMIKZOFQEINU-UHFFFAOYSA-N 1 0 347.400 2.297 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000594101886 468485240 /nfs/dbraw/zinc/48/52/40/468485240.db2.gz CZIQIZQOTFYNTO-VDISTLRHSA-N 1 0 330.388 2.075 10 5 EEBERO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227449 468501310 /nfs/dbraw/zinc/50/13/10/468501310.db2.gz CKOSBACAKOWQEE-ZDUSSCGKSA-N 1 0 349.435 2.407 10 5 EEBERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000368471599 466645440 /nfs/dbraw/zinc/64/54/40/466645440.db2.gz VMNXQDJLHCHTAW-CXAGYDPISA-N 1 0 347.415 2.191 10 5 EEBERO COc1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000415451482 466683497 /nfs/dbraw/zinc/68/34/97/466683497.db2.gz XHXORSNJPDXMLZ-INIZCTEOSA-N 1 0 334.376 2.211 10 5 EEBERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000375151706 466823082 /nfs/dbraw/zinc/82/30/82/466823082.db2.gz JVJLFFSQULPFER-DYVFJYSZSA-N 1 0 340.383 2.240 10 5 EEBERO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000366119831 467064513 /nfs/dbraw/zinc/06/45/13/467064513.db2.gz PQPVQTFGEXKRBS-UKRRQHHQSA-N 1 0 340.383 2.383 10 5 EEBERO O=C1C[C@H](C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000414214513 467391273 /nfs/dbraw/zinc/39/12/73/467391273.db2.gz ZDEBFFSDCQZZEE-UGSOOPFHSA-N 1 0 325.368 2.410 10 5 EEBERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589501756 468158045 /nfs/dbraw/zinc/15/80/45/468158045.db2.gz XOTHPGXEIXILRV-CVEARBPZSA-N 1 0 347.415 2.440 10 5 EEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590446582 468259381 /nfs/dbraw/zinc/25/93/81/468259381.db2.gz UWFAHOGXNSICRD-RISCZKNCSA-N 1 0 335.429 2.483 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1ccnc3c1cccc3[N+](=O)[O-])CCO2 ZINC000591993264 468592409 /nfs/dbraw/zinc/59/24/09/468592409.db2.gz URQPBYDOQCAMCF-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])c3cccnc31)CCO2 ZINC000591994238 468593100 /nfs/dbraw/zinc/59/31/00/468593100.db2.gz OEZXEKIPCYMSMN-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO Cn1ccnc1[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709683 468628122 /nfs/dbraw/zinc/62/81/22/468628122.db2.gz PNKCMMGTRDSVOV-HOTGVXAUSA-N 1 0 341.415 2.292 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253958 468665293 /nfs/dbraw/zinc/66/52/93/468665293.db2.gz RQXVXOPCZNEGDZ-ZIAGYGMSSA-N 1 0 332.404 2.150 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592475875 468705291 /nfs/dbraw/zinc/70/52/91/468705291.db2.gz CQFGWARPVPHRMW-GJZGRUSLSA-N 1 0 346.431 2.306 10 5 EEBERO COc1ccc(OCCN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478950 468706269 /nfs/dbraw/zinc/70/62/69/468706269.db2.gz MSDSRHJZIZSIJC-ZBFHGGJFSA-N 1 0 349.431 2.446 10 5 EEBERO CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597943933 468720465 /nfs/dbraw/zinc/72/04/65/468720465.db2.gz BBUGSDMQQQFAOQ-HNNXBMFYSA-N 1 0 333.388 2.110 10 5 EEBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592529450 468721629 /nfs/dbraw/zinc/72/16/29/468721629.db2.gz ZXOPWLKEQGADBO-AWEZNQCLSA-N 1 0 345.321 2.404 10 5 EEBERO CC[NH+]1CCC(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601106871 468743480 /nfs/dbraw/zinc/74/34/80/468743480.db2.gz ZXJYDCXWLXJWNE-UHFFFAOYSA-N 1 0 335.330 2.491 10 5 EEBERO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033605 468747212 /nfs/dbraw/zinc/74/72/12/468747212.db2.gz GZRVPXGNAHHAIR-HIFRSBDPSA-N 1 0 337.420 2.365 10 5 EEBERO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165035 468766970 /nfs/dbraw/zinc/76/69/70/468766970.db2.gz JDHDFVJWGTWKGB-NXEZZACHSA-N 1 0 347.341 2.410 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000601168740 468768902 /nfs/dbraw/zinc/76/89/02/468768902.db2.gz BEOYVWGAALYGTQ-CYBMUJFWSA-N 1 0 347.341 2.269 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595381478 468833535 /nfs/dbraw/zinc/83/35/35/468833535.db2.gz MGXVYWPSUXSYBP-UHFFFAOYSA-N 1 0 335.451 2.055 10 5 EEBERO COCC[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593101322 468871660 /nfs/dbraw/zinc/87/16/60/468871660.db2.gz QWFPYAPWKLGILN-UHFFFAOYSA-N 1 0 337.420 2.146 10 5 EEBERO CCOc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601559673 468918434 /nfs/dbraw/zinc/91/84/34/468918434.db2.gz VRYAHQBJVVVZDA-KBPBESRZSA-N 1 0 333.388 2.208 10 5 EEBERO Cc1c(NC(=O)CC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595746207 468985208 /nfs/dbraw/zinc/98/52/08/468985208.db2.gz VDYWTYWYFRVWFI-RYUDHWBXSA-N 1 0 335.404 2.181 10 5 EEBERO CC(C)(O)C[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593462449 468991911 /nfs/dbraw/zinc/99/19/11/468991911.db2.gz UIARZGPQBZXXPL-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864819 469052198 /nfs/dbraw/zinc/05/21/98/469052198.db2.gz DFSZNYGFTZEOEN-KRWDZBQOSA-N 1 0 349.431 2.025 10 5 EEBERO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000601878468 469073945 /nfs/dbraw/zinc/07/39/45/469073945.db2.gz AAKFMISVMHNLNY-HNNXBMFYSA-N 1 0 340.383 2.303 10 5 EEBERO C[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000599038420 469095768 /nfs/dbraw/zinc/09/57/68/469095768.db2.gz QCVXPWYSSPLMLC-ZDUSSCGKSA-N 1 0 329.404 2.191 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599052540 469100985 /nfs/dbraw/zinc/10/09/85/469100985.db2.gz OJQOMPSTWCBUHU-CQSZACIVSA-N 1 0 330.388 2.036 10 5 EEBERO C[NH2+]C[C@H](C)NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000595981521 469106163 /nfs/dbraw/zinc/10/61/63/469106163.db2.gz DNPFRWNEEZELPW-STQMWFEESA-N 1 0 334.420 2.169 10 5 EEBERO CCOc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596537150 469296373 /nfs/dbraw/zinc/29/63/73/469296373.db2.gz BHXXMYSOYJPSJR-HNNXBMFYSA-N 1 0 335.404 2.029 10 5 EEBERO Nc1cc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000596559384 469301048 /nfs/dbraw/zinc/30/10/48/469301048.db2.gz XUBJBOWYBYQQNF-MRXNPFEDSA-N 1 0 342.399 2.356 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cs1 ZINC000604082093 469456417 /nfs/dbraw/zinc/45/64/17/469456417.db2.gz QKQTUEHDWMLMDX-AWEZNQCLSA-N 1 0 325.434 2.343 10 5 EEBERO COc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000619437710 469605646 /nfs/dbraw/zinc/60/56/46/469605646.db2.gz NWFPKUPCFWSWGL-YHWZYXNKSA-N 1 0 333.388 2.349 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871953 469692902 /nfs/dbraw/zinc/69/29/02/469692902.db2.gz OIHWGAIISCMITQ-HNNXBMFYSA-N 1 0 347.415 2.230 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2[nH+]ccn2c1 ZINC000610032109 469975675 /nfs/dbraw/zinc/97/56/75/469975675.db2.gz BRYBBZNGSJTNGC-UHFFFAOYSA-N 1 0 332.341 2.352 10 5 EEBERO O=C(c1cc2ccccc2c2cccnc12)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299984 471298456 /nfs/dbraw/zinc/29/84/56/471298456.db2.gz VGNAVILXYTVHIX-JKSUJKDBSA-N 1 0 347.418 2.279 10 5 EEBERO COC(=O)[C@@H]1[C@@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000894679809 683021785 /nfs/dbraw/zinc/02/17/85/683021785.db2.gz UHLVKLUJTBVIGG-OLZOCXBDSA-N 1 0 328.315 2.123 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C(F)(F)F ZINC000894986927 683457617 /nfs/dbraw/zinc/45/76/17/683457617.db2.gz WFHOULMNSMDSOV-ZYHUDNBSSA-N 1 0 331.294 2.371 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000866921334 686613828 /nfs/dbraw/zinc/61/38/28/686613828.db2.gz QRSFTGLKCDMSDT-GHMZBOCLSA-N 1 0 347.462 2.116 10 5 EEBERO C[NH2+]C[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000093434313 692576403 /nfs/dbraw/zinc/57/64/03/692576403.db2.gz QLJDPDYIUSRLJM-SECBINFHSA-N 1 0 329.198 2.331 10 5 EEBERO CCC[N@H+](CCNC(=O)c1ccncn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266575498 1176872544 /nfs/dbraw/zinc/87/25/44/1176872544.db2.gz QNHADMWDYAOUNF-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001481206938 1180157228 /nfs/dbraw/zinc/15/72/28/1180157228.db2.gz FMSJMBZRDXUGQE-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO CC1(C)CC(C[NH2+]CCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001267908481 1180744488 /nfs/dbraw/zinc/74/44/88/1180744488.db2.gz FYEWCZUMWWNPAE-HZPDHXFCSA-N 1 0 337.464 2.306 10 5 EEBERO CC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001267973421 1180892893 /nfs/dbraw/zinc/89/28/93/1180892893.db2.gz PGHGUGJWLLVQAZ-OBMMGQTPSA-N 1 0 335.448 2.322 10 5 EEBERO CC(C)n1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001691498190 1181921273 /nfs/dbraw/zinc/92/12/73/1181921273.db2.gz TYTCKDLDTWACGP-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO COCCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001482210656 1184079933 /nfs/dbraw/zinc/07/99/33/1184079933.db2.gz XUTHTDQKTUTPGP-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)F)CC1 ZINC001483009079 1187991232 /nfs/dbraw/zinc/99/12/32/1187991232.db2.gz CFOSCQVAOAOIQD-ONEGZZNKSA-N 1 0 339.342 2.402 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)COc1ccsc1 ZINC001691555372 1188257447 /nfs/dbraw/zinc/25/74/47/1188257447.db2.gz BYHWSEDANWHXDC-UHFFFAOYSA-N 1 0 349.412 2.283 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccnc(F)c1 ZINC001483719812 1190814538 /nfs/dbraw/zinc/81/45/38/1190814538.db2.gz SZZRSVFZMIGWBI-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC001483776795 1191021615 /nfs/dbraw/zinc/02/16/15/1191021615.db2.gz DIMLEVHPKCTMQP-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO CCOCC(=O)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001484576667 1191428537 /nfs/dbraw/zinc/42/85/37/1191428537.db2.gz YLNKGMGMAMVMAZ-UHFFFAOYSA-N 1 0 347.415 2.056 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cncs1 ZINC001273289310 1197961133 /nfs/dbraw/zinc/96/11/33/1197961133.db2.gz VLYFPOWPQYHKKT-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000865740107 1198353690 /nfs/dbraw/zinc/35/36/90/1198353690.db2.gz BLDVYCFSDDBSBO-FZKQIMNGSA-N 1 0 345.399 2.194 10 5 EEBERO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000865740106 1198353908 /nfs/dbraw/zinc/35/39/08/1198353908.db2.gz BLDVYCFSDDBSBO-ACJLOTCBSA-N 1 0 345.399 2.194 10 5 EEBERO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000870732676 1200839749 /nfs/dbraw/zinc/83/97/49/1200839749.db2.gz ISWIMBRMUAEHOY-CQSZACIVSA-N 1 0 336.392 2.132 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC(C)([NH+](C)C)CC2)n1 ZINC000866146754 1201445859 /nfs/dbraw/zinc/44/58/59/1201445859.db2.gz AQJQHRSYSNPEEE-UHFFFAOYSA-N 1 0 336.392 2.451 10 5 EEBERO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867943244 1201711134 /nfs/dbraw/zinc/71/11/34/1201711134.db2.gz QBNFJEYOXYXVLJ-LZLYRXPVSA-N 1 0 325.368 2.441 10 5 EEBERO Cc1ccc(CNC(=O)C2([NH3+])Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000867996316 1201723111 /nfs/dbraw/zinc/72/31/11/1201723111.db2.gz XEZZOXWOQBKVQL-UHFFFAOYSA-N 1 0 325.368 2.016 10 5 EEBERO Cc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000868358608 1201797788 /nfs/dbraw/zinc/79/77/88/1201797788.db2.gz QZXKUVSHVWRBAD-ZDUSSCGKSA-N 1 0 334.420 2.434 10 5 EEBERO COc1c(C(=O)N2CCC(C)([NH+]3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000882509944 1201886562 /nfs/dbraw/zinc/88/65/62/1201886562.db2.gz XQMBJMWGABIJDC-UHFFFAOYSA-N 1 0 333.388 2.304 10 5 EEBERO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149050841 1202191066 /nfs/dbraw/zinc/19/10/66/1202191066.db2.gz DUHYXGQDKCVKLG-NXEZZACHSA-N 1 0 343.815 2.164 10 5 EEBERO CN(CCC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276001695 1205628509 /nfs/dbraw/zinc/62/85/09/1205628509.db2.gz KMPJYXQCHVWQQW-BXUZGUMPSA-N 1 0 343.786 2.082 10 5 EEBERO C[C@H]1[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1C ZINC000925329070 1206097459 /nfs/dbraw/zinc/09/74/59/1206097459.db2.gz KNKLNQRILHFCFA-BLLLJJGKSA-N 1 0 332.404 2.361 10 5 EEBERO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000927646402 1206285933 /nfs/dbraw/zinc/28/59/33/1206285933.db2.gz VDWLTADPFXBPTN-OAHLLOKOSA-N 1 0 348.403 2.278 10 5 EEBERO Cc1c(CC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cccc1[N+](=O)[O-] ZINC000928104950 1206345923 /nfs/dbraw/zinc/34/59/23/1206345923.db2.gz QWDRUEDZUUHXOH-GOEBONIOSA-N 1 0 349.456 2.142 10 5 EEBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3C[C@H]4COC[C@@H]4O3)CC2)cc1 ZINC000929749453 1206497586 /nfs/dbraw/zinc/49/75/86/1206497586.db2.gz ODRUBDPEYHFZCL-KKXDTOCCSA-N 1 0 348.399 2.242 10 5 EEBERO CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001490878685 1212134158 /nfs/dbraw/zinc/13/41/58/1212134158.db2.gz PYMTUUFEZQAEPS-XYPYZODXSA-N 1 0 339.417 2.008 10 5 EEBERO COC(=O)[C@]12C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000483074304 1253824797 /nfs/dbraw/zinc/82/47/97/1253824797.db2.gz JZQFZLQOSFVUSG-IIYDPXPESA-N 1 0 334.372 2.167 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(C)(C)O ZINC001273507797 1278747325 /nfs/dbraw/zinc/74/73/25/1278747325.db2.gz NQDOBZBPAUJVBP-UHFFFAOYSA-N 1 0 337.420 2.036 10 5 EEBERO C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850500017 1277248841 /nfs/dbraw/zinc/24/88/41/1277248841.db2.gz CACMSZDZCOSGTD-XHDPSFHLSA-N 1 0 340.383 2.415 10 5 EEBERO Cc1cc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000852839912 1292212071 /nfs/dbraw/zinc/21/20/71/1292212071.db2.gz NGAOMRYGULSZDS-CQSZACIVSA-N 1 0 346.431 2.337 10 5 EEBERO NC(=O)CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000853128231 1292291374 /nfs/dbraw/zinc/29/13/74/1292291374.db2.gz ZNDUIYYPMQAIJT-OAHLLOKOSA-N 1 0 335.404 2.044 10 5 EEBERO C[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000857768367 1293911222 /nfs/dbraw/zinc/91/12/22/1293911222.db2.gz OYTOQCRPUYHUBJ-GHMZBOCLSA-N 1 0 343.330 2.010 10 5 EEBERO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000863034007 1296088763 /nfs/dbraw/zinc/08/87/63/1296088763.db2.gz FZSCBMWQTFIYNA-ZDUSSCGKSA-N 1 0 332.404 2.232 10 5 EEBERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863581905 1296344133 /nfs/dbraw/zinc/34/41/33/1296344133.db2.gz YBVDABXJJLFCBK-SJORKVTESA-N 1 0 341.367 2.045 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926943547 1296964988 /nfs/dbraw/zinc/96/49/88/1296964988.db2.gz WGTYUBSJPJUFNW-ZJOBFFGXSA-N 1 0 345.399 2.493 10 5 EEBERO CCO[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C[NH+](C)C ZINC000926959946 1296969606 /nfs/dbraw/zinc/96/96/06/1296969606.db2.gz LIECARWCUHWKBF-TZMCWYRMSA-N 1 0 325.409 2.221 10 5 EEBERO O=C1C[C@H](CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1 ZINC000926985301 1296979565 /nfs/dbraw/zinc/97/95/65/1296979565.db2.gz JSFZYTNJUAKXAI-DZKIICNBSA-N 1 0 331.416 2.422 10 5 EEBERO Cc1nn(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000840190396 1315323201 /nfs/dbraw/zinc/32/32/01/1315323201.db2.gz UQJQPLZQHYKNMA-ZDUSSCGKSA-N 1 0 345.403 2.199 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCCCCC[NH3+])c1 ZINC000842913382 1315797976 /nfs/dbraw/zinc/79/79/76/1315797976.db2.gz ASILRLJCKYMYDP-UHFFFAOYSA-N 1 0 349.840 2.354 10 5 EEBERO Cc1cccc(C[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)c1 ZINC001278908883 1318637409 /nfs/dbraw/zinc/63/74/09/1318637409.db2.gz ZGBZLCDODOZUPQ-IAGOWNOFSA-N 1 0 333.432 2.329 10 5 EEBERO CC1([NH+]2CCC2)CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC001158103428 1319016374 /nfs/dbraw/zinc/01/63/74/1319016374.db2.gz VCDOZEBJNDAXCI-UHFFFAOYSA-N 1 0 332.404 2.314 10 5 EEBERO Nc1ccc(NC(=O)C2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001160697248 1320237936 /nfs/dbraw/zinc/23/79/36/1320237936.db2.gz ZHKKBGTUCLZAMP-UHFFFAOYSA-N 1 0 348.403 2.007 10 5 EEBERO CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001264418307 1322696480 /nfs/dbraw/zinc/69/64/80/1322696480.db2.gz ODOAZYMVGFGQBW-CTYIDZIISA-N 1 0 349.431 2.394 10 5 EEBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC001299821516 1330168198 /nfs/dbraw/zinc/16/81/98/1330168198.db2.gz KCXOUGGUCPCHKL-JKSUJKDBSA-N 1 0 344.415 2.394 10 5 EEBERO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccon1 ZINC001316911249 1331977246 /nfs/dbraw/zinc/97/72/46/1331977246.db2.gz IKNCQVKCGPTTET-UHFFFAOYSA-N 1 0 344.371 2.367 10 5 EEBERO COc1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001317643984 1332344838 /nfs/dbraw/zinc/34/48/38/1332344838.db2.gz MVECVBJRWPCPKA-UHFFFAOYSA-N 1 0 333.344 2.058 10 5 EEBERO O=C(c1cc(C2CC[NH2+]CC2)no1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333635172 1336092884 /nfs/dbraw/zinc/09/28/84/1336092884.db2.gz GQODGZIGBLOUCU-UHFFFAOYSA-N 1 0 342.355 2.206 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001352562402 1337981331 /nfs/dbraw/zinc/98/13/31/1337981331.db2.gz BVQBHEUREPCOKH-IRXDYDNUSA-N 1 0 347.415 2.011 10 5 EEBERO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001583349721 1344892350 /nfs/dbraw/zinc/89/23/50/1344892350.db2.gz WEQKTKZCAKCREF-CYBMUJFWSA-N 1 0 327.812 2.493 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@H](CO)C2CCCC2)o1 ZINC001643310007 1352745644 /nfs/dbraw/zinc/74/56/44/1352745644.db2.gz ZDWNCICXCHFKGQ-CYBMUJFWSA-N 1 0 332.360 2.286 10 5 EEBERO CC[C@@H](C)[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001659046951 1354372455 /nfs/dbraw/zinc/37/24/55/1354372455.db2.gz PRBASOMXBSSINB-OLZOCXBDSA-N 1 0 343.449 2.240 10 5 EEBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136493130 786861786 /nfs/dbraw/zinc/86/17/86/786861786.db2.gz SJCMPHYUBMFPRP-SCRDCRAPSA-N 1 0 347.419 2.049 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@]2(C)C1 ZINC000913288660 788765175 /nfs/dbraw/zinc/76/51/75/788765175.db2.gz GNPMLVPXQSZSSF-QZTJIDSGSA-N 1 0 342.399 2.490 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536449 789737887 /nfs/dbraw/zinc/73/78/87/789737887.db2.gz LQRPOONYNQUDDL-CXAGYDPISA-N 1 0 332.404 2.140 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923537837 789741269 /nfs/dbraw/zinc/74/12/69/789741269.db2.gz DFOSBGCRMVDIJH-KDOFPFPSSA-N 1 0 346.431 2.448 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845476628 789823608 /nfs/dbraw/zinc/82/36/08/789823608.db2.gz VTYJBKGWKIUFOB-ZIAGYGMSSA-N 1 0 328.372 2.418 10 5 EEBERO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001176504260 798477111 /nfs/dbraw/zinc/47/71/11/798477111.db2.gz ARVKWGYAGTZISJ-JSGCOSHPSA-N 1 0 335.404 2.453 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+](C)C)CC1 ZINC000827636179 800494989 /nfs/dbraw/zinc/49/49/89/800494989.db2.gz ZADHMEUOERAELG-CYBMUJFWSA-N 1 0 334.420 2.338 10 5 EEBERO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)ccc21 ZINC001183507986 801631405 /nfs/dbraw/zinc/63/14/05/801631405.db2.gz ISBXJQRPEMFXSN-AWEZNQCLSA-N 1 0 341.371 2.373 10 5 EEBERO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788615068 807607451 /nfs/dbraw/zinc/60/74/51/807607451.db2.gz UVNVUXGHGQAZAX-JSGCOSHPSA-N 1 0 344.419 2.230 10 5 EEBERO C[N@@H+]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001566422192 1125600709 /nfs/dbraw/zinc/60/07/09/1125600709.db2.gz WUCWWIBQWFCOEO-UHFFFAOYSA-N 1 0 325.796 2.343 10 5 EEBERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001446012705 1091996343 /nfs/dbraw/zinc/99/63/43/1091996343.db2.gz LGLKNCJMUIBUJJ-NSHDSACASA-N 1 0 343.811 2.335 10 5 EEBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cncs1 ZINC001493351656 1107971763 /nfs/dbraw/zinc/97/17/63/1107971763.db2.gz KTLLGDNWPUODOV-UHFFFAOYSA-N 1 0 346.412 2.446 10 5 EEBERO Cc1noc(CN[C@@H](c2ccncc2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC001460518399 1110301760 /nfs/dbraw/zinc/30/17/60/1110301760.db2.gz QJPMVWIPPQUXAU-HNNXBMFYSA-N 1 0 332.360 2.280 10 5 EEBERO CC[N@@H+]1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001471466327 1110522807 /nfs/dbraw/zinc/52/28/07/1110522807.db2.gz VDRYCOJWWAQAIU-KBPBESRZSA-N 1 0 334.420 2.434 10 5 EEBERO Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC001473791711 1110580608 /nfs/dbraw/zinc/58/06/08/1110580608.db2.gz ICTJMKLVQMKADE-GFCCVEGCSA-N 1 0 345.359 2.104 10 5 EEBERO CCc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001502193118 1113630564 /nfs/dbraw/zinc/63/05/64/1113630564.db2.gz QQBAMXDQRGOHJX-IAGOWNOFSA-N 1 0 333.432 2.195 10 5 EEBERO Cn1cc(CC[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000069786637 202292350 /nfs/dbraw/zinc/29/23/50/202292350.db2.gz UWIVCZZINGHCJW-UHFFFAOYSA-N 1 0 339.193 2.423 10 5 EEBERO C[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178621 202312876 /nfs/dbraw/zinc/31/28/76/202312876.db2.gz QGKRRGDOLNSJAT-LDYMZIIASA-N 1 0 329.198 2.316 10 5 EEBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000230134704 283579966 /nfs/dbraw/zinc/57/99/66/283579966.db2.gz YYAQSRFZIBYVMI-UBHAPETDSA-N 1 0 341.209 2.316 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104968879 204127097 /nfs/dbraw/zinc/12/70/97/204127097.db2.gz ONYFBJJIROCSJX-CYBMUJFWSA-N 1 0 334.376 2.305 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000105805929 204162368 /nfs/dbraw/zinc/16/23/68/204162368.db2.gz KNUPCXGVELKDIB-UHFFFAOYSA-N 1 0 343.387 2.340 10 5 EEBERO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000045625483 204328526 /nfs/dbraw/zinc/32/85/26/204328526.db2.gz JXHVPDRGSKJNQS-UHFFFAOYSA-N 1 0 342.193 2.181 10 5 EEBERO O=C(CC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000128615859 205155408 /nfs/dbraw/zinc/15/54/08/205155408.db2.gz RACZBMOGULLVOY-QYJAPNMZSA-N 1 0 337.351 2.050 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000266222717 248185065 /nfs/dbraw/zinc/18/50/65/248185065.db2.gz IBIJZUFLAWIVQL-TZMCWYRMSA-N 1 0 334.420 2.121 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000130461906 292373561 /nfs/dbraw/zinc/37/35/61/292373561.db2.gz ILMONNWFOHZWRP-UHFFFAOYSA-N 1 0 335.404 2.454 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000109689051 159351533 /nfs/dbraw/zinc/35/15/33/159351533.db2.gz PLADMGIWKPVWSY-ZDUSSCGKSA-N 1 0 349.435 2.361 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352080983 162060039 /nfs/dbraw/zinc/06/00/39/162060039.db2.gz CNFMXIUJZLHTCQ-INIZCTEOSA-N 1 0 349.431 2.099 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000367711730 165995864 /nfs/dbraw/zinc/99/58/64/165995864.db2.gz FFHUTVRXESAXAG-RYUDHWBXSA-N 1 0 334.376 2.124 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000365017776 165352899 /nfs/dbraw/zinc/35/28/99/165352899.db2.gz XMNWAVLJLXXIBT-OAHLLOKOSA-N 1 0 348.447 2.060 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193991890 268624130 /nfs/dbraw/zinc/62/41/30/268624130.db2.gz HLKADTPEBQGXCS-CQSZACIVSA-N 1 0 335.404 2.354 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000277357238 269149861 /nfs/dbraw/zinc/14/98/61/269149861.db2.gz CAAHFGHJFQHRPT-SWLSCSKDSA-N 1 0 335.404 2.406 10 5 EEBERO COC(=O)c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268470579 274000063 /nfs/dbraw/zinc/00/00/63/274000063.db2.gz HWNMITYPSPVHCQ-CYBMUJFWSA-N 1 0 331.372 2.140 10 5 EEBERO COc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000121922282 274097693 /nfs/dbraw/zinc/09/76/93/274097693.db2.gz JGTLQHVZWFCJGW-LLVKDONJSA-N 1 0 327.356 2.001 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C)OCCCO1 ZINC000190660583 274206345 /nfs/dbraw/zinc/20/63/45/274206345.db2.gz FTVWAYXAIFZIGP-LBPRGKRZSA-N 1 0 337.376 2.055 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408153704 274375412 /nfs/dbraw/zinc/37/54/12/274375412.db2.gz LHNLBKJOSDVFLX-YPMHNXCESA-N 1 0 328.372 2.385 10 5 EEBERO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C[NH3+])C1 ZINC000235628479 274563929 /nfs/dbraw/zinc/56/39/29/274563929.db2.gz HQRYANLUJJWUTC-DTWKUNHWSA-N 1 0 329.198 2.316 10 5 EEBERO COC(=O)c1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)cc(C)c1[N+](=O)[O-] ZINC000291616852 275323352 /nfs/dbraw/zinc/32/33/52/275323352.db2.gz ANAKUAJATYSJJL-KRWDZBQOSA-N 1 0 333.388 2.222 10 5 EEBERO CN(C)c1cc[nH+]cc1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282444961 292826444 /nfs/dbraw/zinc/82/64/44/292826444.db2.gz IIGZJRHQDRFJTL-UHFFFAOYSA-N 1 0 328.372 2.371 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295143398 293626316 /nfs/dbraw/zinc/62/63/16/293626316.db2.gz CLVVEEOHRCNBJZ-YGRLFVJLSA-N 1 0 337.376 2.088 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173267952 302041653 /nfs/dbraw/zinc/04/16/53/302041653.db2.gz BHVUMHVEISASPB-OLZOCXBDSA-N 1 0 341.433 2.006 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415653731 313162222 /nfs/dbraw/zinc/16/22/22/313162222.db2.gz ILNCAMSFIGCIEI-BETUJISGSA-N 1 0 348.403 2.457 10 5 EEBERO CC[NH2+][C@H](C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415708176 313170304 /nfs/dbraw/zinc/17/03/04/313170304.db2.gz XFICOHYZFMMUQX-MRVPVSSYSA-N 1 0 345.197 2.477 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418558477 313846532 /nfs/dbraw/zinc/84/65/32/313846532.db2.gz QBAPTLFQSGVDRW-LRDDRELGSA-N 1 0 332.404 2.267 10 5 EEBERO C[N@@H+]1C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000425278612 314371407 /nfs/dbraw/zinc/37/14/07/314371407.db2.gz DQADLNSZMVDNIC-JOYOIKCWSA-N 1 0 341.209 2.283 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000541963719 318119110 /nfs/dbraw/zinc/11/91/10/318119110.db2.gz WQGGPBCQJCMXFC-SNVBAGLBSA-N 1 0 343.330 2.268 10 5 EEBERO [NH3+]CC12CCC(CC1)CN2C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000563722838 319039744 /nfs/dbraw/zinc/03/97/44/319039744.db2.gz NHVWVKPITOVDTN-UHFFFAOYSA-N 1 0 332.404 2.127 10 5 EEBERO CC[NH+](CC)CC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000347865794 465273272 /nfs/dbraw/zinc/27/32/72/465273272.db2.gz KFXTWIIARKUAGA-UHFFFAOYSA-N 1 0 332.408 2.196 10 5 EEBERO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000090410207 462789486 /nfs/dbraw/zinc/78/94/86/462789486.db2.gz YKOBPIPHTHEEBD-CVEARBPZSA-N 1 0 346.431 2.309 10 5 EEBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCC2=O)cc1 ZINC000090538104 462795675 /nfs/dbraw/zinc/79/56/75/462795675.db2.gz RYDBKPHLOXMFOQ-ZDUSSCGKSA-N 1 0 343.387 2.269 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000536262778 468346521 /nfs/dbraw/zinc/34/65/21/468346521.db2.gz JEPJPWWOQNQTQA-GDBMZVCRSA-N 1 0 328.372 2.109 10 5 EEBERO Cc1sc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000124556424 463436674 /nfs/dbraw/zinc/43/66/74/463436674.db2.gz ONDJKFGASKHCBG-KOLCDFICSA-N 1 0 347.462 2.068 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000164084938 463615354 /nfs/dbraw/zinc/61/53/54/463615354.db2.gz ZFFCPKAIDPMIGQ-RISCZKNCSA-N 1 0 336.392 2.454 10 5 EEBERO Cc1c(Br)c(NCC2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000165813367 463648176 /nfs/dbraw/zinc/64/81/76/463648176.db2.gz FJWVPGBRCZWRKQ-UHFFFAOYSA-N 1 0 329.198 2.472 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000193991904 463768586 /nfs/dbraw/zinc/76/85/86/463768586.db2.gz HLKADTPEBQGXCS-AWEZNQCLSA-N 1 0 335.404 2.354 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185324033 463801295 /nfs/dbraw/zinc/80/12/95/463801295.db2.gz RVBFYQHMILDBJF-CYBMUJFWSA-N 1 0 326.393 2.321 10 5 EEBERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000283803286 464016655 /nfs/dbraw/zinc/01/66/55/464016655.db2.gz ASKNWWYVHWBBJB-BXUZGUMPSA-N 1 0 330.812 2.496 10 5 EEBERO C[C@@H]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599917560 468413549 /nfs/dbraw/zinc/41/35/49/468413549.db2.gz SOOKPJRDAFWYOV-HIFRSBDPSA-N 1 0 334.420 2.357 10 5 EEBERO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183200570 464821165 /nfs/dbraw/zinc/82/11/65/464821165.db2.gz FHDNHSHAYGCBCT-NHYWBVRUSA-N 1 0 337.376 2.089 10 5 EEBERO Cc1c(NC(=O)CCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000252443641 464956372 /nfs/dbraw/zinc/95/63/72/464956372.db2.gz DCDOVKBVGMZCTH-HIFRSBDPSA-N 1 0 346.431 2.400 10 5 EEBERO CCO[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916177 468432342 /nfs/dbraw/zinc/43/23/42/468432342.db2.gz FHBPHVOUIDZKTF-CZUORRHYSA-N 1 0 335.404 2.154 10 5 EEBERO COC(C)(C)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339742077 465480763 /nfs/dbraw/zinc/48/07/63/465480763.db2.gz ZMOZUNKKJZNTHW-UHFFFAOYSA-N 1 0 335.404 2.168 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000302780726 466183464 /nfs/dbraw/zinc/18/34/64/466183464.db2.gz RJZQXELSXMWGPR-SECBINFHSA-N 1 0 329.198 2.283 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)o2)cc1 ZINC000363223557 466292886 /nfs/dbraw/zinc/29/28/86/466292886.db2.gz DPHPRYCYIWVALZ-OCZCAGDBSA-N 1 0 344.371 2.238 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000372762405 466578474 /nfs/dbraw/zinc/57/84/74/466578474.db2.gz PHWXKYAGYAWDSV-MLGOLLRUSA-N 1 0 330.388 2.079 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347351299 466585006 /nfs/dbraw/zinc/58/50/06/466585006.db2.gz DSLYDYBOXCCGOZ-GSPCDJLXSA-N 1 0 333.432 2.387 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000378189785 467223632 /nfs/dbraw/zinc/22/36/32/467223632.db2.gz ZXDMPBPHXMQZLR-UHFFFAOYSA-N 1 0 326.356 2.350 10 5 EEBERO CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000413425932 467239630 /nfs/dbraw/zinc/23/96/30/467239630.db2.gz IVIVHLACJCTTRA-GVDBMIGSSA-N 1 0 329.400 2.251 10 5 EEBERO CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000413425931 467239986 /nfs/dbraw/zinc/23/99/86/467239986.db2.gz IVIVHLACJCTTRA-BBWFWOEESA-N 1 0 329.400 2.251 10 5 EEBERO COc1cc(C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000428847846 467275284 /nfs/dbraw/zinc/27/52/84/467275284.db2.gz WPKXOQPVCXZXPB-YVEFUNNKSA-N 1 0 343.383 2.351 10 5 EEBERO COc1cc(C[N@H+](C)CCCNC(=O)C2CCC2)ccc1[N+](=O)[O-] ZINC000429546069 467345075 /nfs/dbraw/zinc/34/50/75/467345075.db2.gz GRMBANCMGQJFSU-UHFFFAOYSA-N 1 0 335.404 2.342 10 5 EEBERO COc1ccc(OCCN2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420367958 467380722 /nfs/dbraw/zinc/38/07/22/467380722.db2.gz KCMWAYNLKKFISS-QGZVFWFLSA-N 1 0 335.404 2.058 10 5 EEBERO CO[C@@]1(CO)CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000401858567 467464808 /nfs/dbraw/zinc/46/48/08/467464808.db2.gz BZVIBYJYDWPULK-KRWDZBQOSA-N 1 0 331.372 2.429 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCN1CCO ZINC000449389403 467635976 /nfs/dbraw/zinc/63/59/76/467635976.db2.gz CMXNRFPVGIYTQA-VHUCWBOISA-N 1 0 333.432 2.435 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000589498283 468157144 /nfs/dbraw/zinc/15/71/44/468157144.db2.gz IUFVPXLXZZRJRQ-INIZCTEOSA-N 1 0 347.415 2.442 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600470722 468567377 /nfs/dbraw/zinc/56/73/77/468567377.db2.gz IDSDXTQQECLDSD-LBPRGKRZSA-N 1 0 335.408 2.188 10 5 EEBERO COc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000591993287 468592084 /nfs/dbraw/zinc/59/20/84/468592084.db2.gz VAIPYJMWDPFMSU-UHFFFAOYSA-N 1 0 339.367 2.044 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)o2)cc1 ZINC000594610703 468635342 /nfs/dbraw/zinc/63/53/42/468635342.db2.gz BFIDFKAWWRGDON-JKSUJKDBSA-N 1 0 343.383 2.106 10 5 EEBERO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592154343 468640882 /nfs/dbraw/zinc/64/08/82/468640882.db2.gz QDCBOIHFJBZXRL-FVQBIDKESA-N 1 0 336.436 2.300 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476523 468706791 /nfs/dbraw/zinc/70/67/91/468706791.db2.gz XKYLTWSXTSVNLO-JKIFEVAISA-N 1 0 346.431 2.386 10 5 EEBERO Cc1ccncc1CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594967272 468734015 /nfs/dbraw/zinc/73/40/15/468734015.db2.gz KCPDESXFFBCXRT-UHFFFAOYSA-N 1 0 329.356 2.402 10 5 EEBERO C[NH+](C)CCCOC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601124334 468750856 /nfs/dbraw/zinc/75/08/56/468750856.db2.gz DVCJAMFPKGOLQL-UHFFFAOYSA-N 1 0 326.372 2.066 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601129702 468754326 /nfs/dbraw/zinc/75/43/26/468754326.db2.gz WUWCLPWLKSQJDB-AWEZNQCLSA-N 1 0 331.416 2.475 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000601131473 468754700 /nfs/dbraw/zinc/75/47/00/468754700.db2.gz LRBXNROWDRDNSD-UKRRQHHQSA-N 1 0 338.383 2.309 10 5 EEBERO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1c1cccc(F)c1 ZINC000595226592 468788409 /nfs/dbraw/zinc/78/84/09/468788409.db2.gz VIIVDIJKXDXOKL-HUUCEWRRSA-N 1 0 344.346 2.086 10 5 EEBERO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1C ZINC000601554854 468916168 /nfs/dbraw/zinc/91/61/68/468916168.db2.gz WEBKVONIXDMHQI-GXTWGEPZSA-N 1 0 333.388 2.126 10 5 EEBERO O=C(N1CC[C@H]2C[NH2+]C[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601555503 468916674 /nfs/dbraw/zinc/91/66/74/468916674.db2.gz MZUFKEIXJLCYEI-UONOGXRCSA-N 1 0 329.400 2.084 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000595635456 468933259 /nfs/dbraw/zinc/93/32/59/468933259.db2.gz VEQZCMGBUKBUTA-APHBMKBZSA-N 1 0 338.404 2.259 10 5 EEBERO CC[C@H](Cn1cncn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584868730 468952408 /nfs/dbraw/zinc/95/24/08/468952408.db2.gz KBDJSBYACVHUII-CYBMUJFWSA-N 1 0 328.376 2.279 10 5 EEBERO C[C@]12COC[C@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595760305 468994460 /nfs/dbraw/zinc/99/44/60/468994460.db2.gz SWCRQIKIAWRQDN-WBMJQRKESA-N 1 0 330.344 2.113 10 5 EEBERO CN1CCOC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000599003863 469084384 /nfs/dbraw/zinc/08/43/84/469084384.db2.gz LIZFXBZFEVVJTH-HNNXBMFYSA-N 1 0 348.428 2.139 10 5 EEBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1C ZINC000599080689 469110512 /nfs/dbraw/zinc/11/05/12/469110512.db2.gz QAODGFUMMMGDGS-KBPBESRZSA-N 1 0 339.461 2.386 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOC3(C[NH2+]C3)C2)o1 ZINC000596103131 469156148 /nfs/dbraw/zinc/15/61/48/469156148.db2.gz AQVFCOUSDIVGNF-UHFFFAOYSA-N 1 0 329.356 2.029 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611513689 469269361 /nfs/dbraw/zinc/26/93/61/469269361.db2.gz UXRWBLQCIQBWHM-VIFPVBQESA-N 1 0 329.303 2.020 10 5 EEBERO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537139 469296268 /nfs/dbraw/zinc/29/62/68/469296268.db2.gz BHGXVAXPDZOZEW-AWEZNQCLSA-N 1 0 342.399 2.178 10 5 EEBERO Nc1cc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc(CO)c1[N+](=O)[O-] ZINC000596559183 469301191 /nfs/dbraw/zinc/30/11/91/469301191.db2.gz XUBJBOWYBYQQNF-INIZCTEOSA-N 1 0 342.399 2.356 10 5 EEBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596565381 469302610 /nfs/dbraw/zinc/30/26/10/469302610.db2.gz HBXJAXPXBDXUTN-OAHLLOKOSA-N 1 0 335.404 2.344 10 5 EEBERO COc1ccc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000599604585 469306480 /nfs/dbraw/zinc/30/64/80/469306480.db2.gz OWEQSAPNQWGSAX-IYBDPMFKSA-N 1 0 334.376 2.067 10 5 EEBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000599626624 469314755 /nfs/dbraw/zinc/31/47/55/469314755.db2.gz XIWYHBUQFRBJRX-OVZMXSCWSA-N 1 0 349.387 2.294 10 5 EEBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-n2ccnc2)c1 ZINC000189896232 533877737 /nfs/dbraw/zinc/87/77/37/533877737.db2.gz WEZBQMGLROEDMI-ZDUSSCGKSA-N 1 0 326.360 2.328 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000729919256 576690726 /nfs/dbraw/zinc/69/07/26/576690726.db2.gz CECWHYFWZCTJRG-CYBMUJFWSA-N 1 0 332.404 2.019 10 5 EEBERO C[NH+](C)CCCCCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000754681013 577113170 /nfs/dbraw/zinc/11/31/70/577113170.db2.gz FHMOCIYGMKWZRX-UHFFFAOYSA-N 1 0 338.360 2.255 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749960536 577984869 /nfs/dbraw/zinc/98/48/69/577984869.db2.gz WKGDSMHEVRLSHG-KRWDZBQOSA-N 1 0 345.403 2.498 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735220042 578139226 /nfs/dbraw/zinc/13/92/26/578139226.db2.gz CSXZRAZUDJNSIC-HNNXBMFYSA-N 1 0 329.356 2.365 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000899560715 693789081 /nfs/dbraw/zinc/78/90/81/693789081.db2.gz XXKPVXUBPSHZBU-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC[N@@H+](C)CC1 ZINC000897858925 691790532 /nfs/dbraw/zinc/79/05/32/691790532.db2.gz PBNGTHSIRLYQFR-DTQAZKPQSA-N 1 0 332.448 2.177 10 5 EEBERO C[C@H]1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000925329400 692753263 /nfs/dbraw/zinc/75/32/63/692753263.db2.gz ANVVCLHXQXEKQH-WFASDCNBSA-N 1 0 332.404 2.361 10 5 EEBERO CCO[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN(C)C ZINC000926958589 693043916 /nfs/dbraw/zinc/04/39/16/693043916.db2.gz GWCNJMGHSJVANJ-SWLSCSKDSA-N 1 0 327.400 2.221 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898833443 693474605 /nfs/dbraw/zinc/47/46/05/693474605.db2.gz SSTYNJNBLCUPSJ-HUUCEWRRSA-N 1 0 333.388 2.206 10 5 EEBERO CC(C)OCC(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001485753266 1191922652 /nfs/dbraw/zinc/92/26/52/1191922652.db2.gz NRHLZOVFODWGAW-UHFFFAOYSA-N 1 0 349.431 2.443 10 5 EEBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1C ZINC001266774877 1177402419 /nfs/dbraw/zinc/40/24/19/1177402419.db2.gz NGZYTLFQRYPHSD-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO CCc1oncc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001266850826 1177550787 /nfs/dbraw/zinc/55/07/87/1177550787.db2.gz OUTLTFVWVQTRQC-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO C[N@H+](CCNC(=O)c1cc(Cl)c[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267184331 1178447874 /nfs/dbraw/zinc/44/78/74/1178447874.db2.gz ZMRBYSDFYWBWQK-UHFFFAOYSA-N 1 0 336.779 2.438 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn(C)c1 ZINC001268443604 1182619816 /nfs/dbraw/zinc/61/98/16/1182619816.db2.gz WJBZDNKOZLXPMA-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO CCc1cc(C(=O)N(CC)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001482962808 1187896757 /nfs/dbraw/zinc/89/67/57/1187896757.db2.gz BQMROCLJLLMNRN-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO [NH3+][C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[C@@H]1C(F)(F)F ZINC000905725045 1189899420 /nfs/dbraw/zinc/89/94/20/1189899420.db2.gz XMUMPZAMIPTTOW-IUCAKERBSA-N 1 0 341.293 2.254 10 5 EEBERO CCOCC(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001484912143 1191571761 /nfs/dbraw/zinc/57/17/61/1191571761.db2.gz PIXBWCYWMVVISG-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076143 1198042443 /nfs/dbraw/zinc/04/24/43/1198042443.db2.gz YDNMOXLWTPEZFL-STQMWFEESA-N 1 0 325.384 2.231 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000872223548 1198097229 /nfs/dbraw/zinc/09/72/29/1198097229.db2.gz KCMGBHGUBNGJLG-GOSISDBHSA-N 1 0 328.368 2.491 10 5 EEBERO C[NH+](C)CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000928841818 1206426778 /nfs/dbraw/zinc/42/67/78/1206426778.db2.gz IPPFGWOITAWSPK-HNNXBMFYSA-N 1 0 328.372 2.413 10 5 EEBERO CNC(=O)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000796610749 1221655872 /nfs/dbraw/zinc/65/58/72/1221655872.db2.gz HAINEKMOLXRZNJ-IRXDYDNUSA-N 1 0 343.383 2.095 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827247324 1238683529 /nfs/dbraw/zinc/68/35/29/1238683529.db2.gz WCXOUAFRHYMMDL-XBVQOTNRSA-N 1 0 329.400 2.251 10 5 EEBERO O=C(COC1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001490997068 1258555522 /nfs/dbraw/zinc/55/55/22/1258555522.db2.gz HDYIAZRCEUWAPG-GASCZTMLSA-N 1 0 347.415 2.291 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850503270 1277250234 /nfs/dbraw/zinc/25/02/34/1277250234.db2.gz VSLOPOWCUMLTRZ-YYWXWVFPSA-N 1 0 337.420 2.394 10 5 EEBERO Cc1cccc(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001273849895 1286783997 /nfs/dbraw/zinc/78/39/97/1286783997.db2.gz BXWXATNBSGCYDR-IHWYPQMZSA-N 1 0 340.383 2.374 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853966980 1292561195 /nfs/dbraw/zinc/56/11/95/1292561195.db2.gz ZLZKADMRJHDUMW-CYBMUJFWSA-N 1 0 325.796 2.284 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC000853966056 1292561506 /nfs/dbraw/zinc/56/15/06/1292561506.db2.gz OIVMQDFGMCDCOX-CYBMUJFWSA-N 1 0 325.796 2.284 10 5 EEBERO Cc1c(-c2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000854161515 1292652611 /nfs/dbraw/zinc/65/26/11/1292652611.db2.gz ZWEAQWXOAOGZNK-SNVBAGLBSA-N 1 0 340.343 2.420 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000861350700 1295358977 /nfs/dbraw/zinc/35/89/77/1295358977.db2.gz FCTBXGHLDFQFNO-ISTRZQFTSA-N 1 0 336.388 2.351 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001123864394 1310740563 /nfs/dbraw/zinc/74/05/63/1310740563.db2.gz YFKNINGXBFUDEE-SJORKVTESA-N 1 0 347.415 2.011 10 5 EEBERO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001139345859 1314734139 /nfs/dbraw/zinc/73/41/39/1314734139.db2.gz FLKROXZJAINZQW-ABAIWWIYSA-N 1 0 343.387 2.104 10 5 EEBERO C[C@H](O)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000843086788 1315838437 /nfs/dbraw/zinc/83/84/37/1315838437.db2.gz JEBOVDLHDWCRQL-GOPGUHFVSA-N 1 0 334.347 2.479 10 5 EEBERO CN(CCCN(C)C(=O)c1cnco1)Cc1csc([N+](=O)[O-])c1 ZINC001280835722 1324555160 /nfs/dbraw/zinc/55/51/60/1324555160.db2.gz NVSNPBJTTAAFKS-UHFFFAOYSA-N 1 0 338.389 2.238 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnns1)Cc1ccccc1[N+](=O)[O-] ZINC001316885910 1331951855 /nfs/dbraw/zinc/95/18/55/1331951855.db2.gz NRGWTKJADQTXHI-UHFFFAOYSA-N 1 0 349.416 2.088 10 5 EEBERO C[N@H+](CCNC(=O)C1(C(F)F)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317445726 1332245110 /nfs/dbraw/zinc/24/51/10/1332245110.db2.gz GNTNUUDHNQSVLZ-UHFFFAOYSA-N 1 0 327.331 2.188 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1nccn1CC ZINC001320721850 1332940355 /nfs/dbraw/zinc/94/03/55/1332940355.db2.gz HRMYRUYOZBBJAH-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001332868437 1335921997 /nfs/dbraw/zinc/92/19/97/1335921997.db2.gz XNGDKZNHQHDMBM-GDBMZVCRSA-N 1 0 335.379 2.410 10 5 EEBERO COC[C@@H]1CCC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479348 1338705499 /nfs/dbraw/zinc/70/54/99/1338705499.db2.gz XPMDZUHIIAKHAR-PBHICJAKSA-N 1 0 347.415 2.227 10 5 EEBERO Nc1c(Cl)cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001617000951 1352334873 /nfs/dbraw/zinc/33/48/73/1352334873.db2.gz NAXXLIBDOXEMJK-NSHDSACASA-N 1 0 338.795 2.045 10 5 EEBERO CC(C)[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC001557755482 1342454585 /nfs/dbraw/zinc/45/45/85/1342454585.db2.gz RFGMUIRPDJXADD-UHFFFAOYSA-N 1 0 334.420 2.417 10 5 EEBERO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001560096219 1342507659 /nfs/dbraw/zinc/50/76/59/1342507659.db2.gz POZGKELXPVADFV-BXUZGUMPSA-N 1 0 329.360 2.243 10 5 EEBERO C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001626363506 1352460841 /nfs/dbraw/zinc/46/08/41/1352460841.db2.gz KQANXYWNCRVYHB-ZDUSSCGKSA-N 1 0 340.383 2.338 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001631425083 1352583221 /nfs/dbraw/zinc/58/32/21/1352583221.db2.gz XYCHXKILSAZUBR-CYBMUJFWSA-N 1 0 335.404 2.340 10 5 EEBERO CC1(C)CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[NH2+]1 ZINC001635315694 1352642720 /nfs/dbraw/zinc/64/27/20/1352642720.db2.gz NUDOHBWNKPWACO-UHFFFAOYSA-N 1 0 340.383 2.481 10 5 EEBERO CC1([NH+]2CCC2)CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC001648245629 1353421470 /nfs/dbraw/zinc/42/14/70/1353421470.db2.gz JNFNIBUPQZYLCM-UHFFFAOYSA-N 1 0 332.404 2.314 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3ncccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001651532688 1354056626 /nfs/dbraw/zinc/05/66/26/1354056626.db2.gz MQBXMWFHYQDALL-CQSZACIVSA-N 1 0 328.372 2.019 10 5 EEBERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001653035468 1354111506 /nfs/dbraw/zinc/11/15/06/1354111506.db2.gz QOGSPABXDFEIRN-DGCLKSJQSA-N 1 0 349.353 2.409 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000809743638 783353543 /nfs/dbraw/zinc/35/35/43/783353543.db2.gz YDNUTXWHFXKYAN-CQSZACIVSA-N 1 0 347.337 2.467 10 5 EEBERO CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000906651436 784049865 /nfs/dbraw/zinc/04/98/65/784049865.db2.gz CMIPWBUSQUISFP-NSHDSACASA-N 1 0 338.795 2.139 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)n1 ZINC000912807681 788366444 /nfs/dbraw/zinc/36/64/44/788366444.db2.gz OHVKULZZOCYNDL-STQMWFEESA-N 1 0 337.424 2.004 10 5 EEBERO C[N@@H+]1C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000844050572 788818547 /nfs/dbraw/zinc/81/85/47/788818547.db2.gz KTSQCXDMYKIYLH-CVEARBPZSA-N 1 0 333.432 2.284 10 5 EEBERO CC(C)Oc1cc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001179900569 800146427 /nfs/dbraw/zinc/14/64/27/800146427.db2.gz VXCXETLNQFKGQI-HNNXBMFYSA-N 1 0 347.415 2.454 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC001439884450 1092936482 /nfs/dbraw/zinc/93/64/82/1092936482.db2.gz JDJOVPSUNXVFHS-GFCCVEGCSA-N 1 0 336.348 2.026 10 5 EEBERO Cc1cccc(C)c1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001495158102 1100829558 /nfs/dbraw/zinc/82/95/58/1100829558.db2.gz FHJRGXHXOQABDM-NVXWUHKLSA-N 1 0 345.443 2.487 10 5 EEBERO Cc1noc(C)c1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497522322 1102618419 /nfs/dbraw/zinc/61/84/19/1102618419.db2.gz IQWOEMIJHUXLCU-AATRIKPKSA-N 1 0 344.371 2.275 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001497534994 1102633783 /nfs/dbraw/zinc/63/37/83/1102633783.db2.gz MAXBSAIVUVVKGD-ONEGZZNKSA-N 1 0 341.367 2.376 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C(F)F)CC1 ZINC001497580802 1102695689 /nfs/dbraw/zinc/69/56/89/1102695689.db2.gz XXRWCHNTLKHLJY-OWOJBTEDSA-N 1 0 339.342 2.402 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C2 ZINC001460720301 1110322067 /nfs/dbraw/zinc/32/20/67/1110322067.db2.gz UCRCSQRNCQXKET-GUYCJALGSA-N 1 0 334.372 2.379 10 5 EEBERO Cc1cnoc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001502014561 1113559168 /nfs/dbraw/zinc/55/91/68/1113559168.db2.gz CBJVXBJMCQBHGQ-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO CC(C)N(CC[N@H+](C)CC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001507787260 1115346696 /nfs/dbraw/zinc/34/66/96/1115346696.db2.gz JAQBVMWVEYZYOY-HZPDHXFCSA-N 1 0 325.453 2.401 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001519930771 1119114750 /nfs/dbraw/zinc/11/47/50/1119114750.db2.gz MYYXJLJRRNMAAQ-APHBMKBZSA-N 1 0 346.431 2.469 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001525719681 1120349669 /nfs/dbraw/zinc/34/96/69/1120349669.db2.gz ZRKGURPMQDIJJQ-UHFFFAOYSA-N 1 0 333.348 2.160 10 5 EEBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001526408990 1120514974 /nfs/dbraw/zinc/51/49/74/1120514974.db2.gz SUIGRCOXZZZRPJ-LLVKDONJSA-N 1 0 338.360 2.253 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccnc(N2CCCCC2)c1 ZINC001538464169 1124027922 /nfs/dbraw/zinc/02/79/22/1124027922.db2.gz HBJDNCIWBVQVGJ-UHFFFAOYSA-N 1 0 344.375 2.124 10 5 EEBERO C[NH2+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000071147722 202339365 /nfs/dbraw/zinc/33/93/65/202339365.db2.gz ZJRMZRISWTYLSO-SNVBAGLBSA-N 1 0 328.210 2.399 10 5 EEBERO C[C@@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000037985574 202384214 /nfs/dbraw/zinc/38/42/14/202384214.db2.gz VNRNGYRVPTUOMA-QMMMGPOBSA-N 1 0 330.182 2.037 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191272389 239007582 /nfs/dbraw/zinc/00/75/82/239007582.db2.gz SLQQFBZWUOYORY-CHWSQXEVSA-N 1 0 335.404 2.466 10 5 EEBERO Cc1cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416363925 239204580 /nfs/dbraw/zinc/20/45/80/239204580.db2.gz SDALKLJQQNHQJB-UHFFFAOYSA-N 1 0 343.449 2.078 10 5 EEBERO CCOCCN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000119030262 292240215 /nfs/dbraw/zinc/24/02/15/292240215.db2.gz JMERKFXQCAKORG-OAHLLOKOSA-N 1 0 349.431 2.097 10 5 EEBERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000130607777 292376392 /nfs/dbraw/zinc/37/63/92/292376392.db2.gz LNGLYGFRIANPLO-CYBMUJFWSA-N 1 0 330.388 2.219 10 5 EEBERO C[N@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000068901639 159023850 /nfs/dbraw/zinc/02/38/50/159023850.db2.gz IGISCHNGPHWQSB-UHFFFAOYSA-N 1 0 345.403 2.465 10 5 EEBERO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559618 159197898 /nfs/dbraw/zinc/19/78/98/159197898.db2.gz SUSDKPUWSFWSHI-SUMWQHHRSA-N 1 0 343.383 2.081 10 5 EEBERO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000186310555 160066293 /nfs/dbraw/zinc/06/62/93/160066293.db2.gz APFKTFSFRLKCOF-UHFFFAOYSA-N 1 0 347.462 2.009 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000247013027 160305752 /nfs/dbraw/zinc/30/57/52/160305752.db2.gz HFGFKNAEIGUQNX-UKRRQHHQSA-N 1 0 334.420 2.242 10 5 EEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247390743 160323507 /nfs/dbraw/zinc/32/35/07/160323507.db2.gz QKQFMPVWAAWUKJ-DZGCQCFKSA-N 1 0 334.420 2.465 10 5 EEBERO Cn1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000345481532 161305310 /nfs/dbraw/zinc/30/53/10/161305310.db2.gz YYLLOBYPOJAOAZ-UHFFFAOYSA-N 1 0 342.399 2.459 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352554561 162184589 /nfs/dbraw/zinc/18/45/89/162184589.db2.gz GWAYUGMFRZBBHG-ZDUSSCGKSA-N 1 0 331.376 2.410 10 5 EEBERO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359035086 164042609 /nfs/dbraw/zinc/04/26/09/164042609.db2.gz ASLZDSBFOQSRIQ-SNVBAGLBSA-N 1 0 341.314 2.163 10 5 EEBERO O=C(NCCC[NH+]1CCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359050959 164046741 /nfs/dbraw/zinc/04/67/41/164046741.db2.gz YVCQNNMBEUPOFX-UHFFFAOYSA-N 1 0 343.330 2.412 10 5 EEBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000376595398 167357497 /nfs/dbraw/zinc/35/74/97/167357497.db2.gz NEPNYTIERJJBNV-UHFFFAOYSA-N 1 0 347.371 2.070 10 5 EEBERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000372284358 276280124 /nfs/dbraw/zinc/28/01/24/276280124.db2.gz ZBZMVYXIFLVXOZ-JKSUJKDBSA-N 1 0 336.388 2.180 10 5 EEBERO CC(C)C[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301611146 294874830 /nfs/dbraw/zinc/87/48/30/294874830.db2.gz DHRULIZMARHULQ-UHFFFAOYSA-N 1 0 348.403 2.458 10 5 EEBERO COc1cc(CNC[C@H]([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414842224 313100877 /nfs/dbraw/zinc/10/08/77/313100877.db2.gz YTZPJELXPUWJIQ-AWEZNQCLSA-N 1 0 331.372 2.402 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565834407 319218958 /nfs/dbraw/zinc/21/89/58/319218958.db2.gz MTKYYOADSKKNPY-KRWDZBQOSA-N 1 0 340.383 2.091 10 5 EEBERO O=C(CC[N@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000581712580 324307402 /nfs/dbraw/zinc/30/74/02/324307402.db2.gz QDAZHCFOHFZPQM-HNNXBMFYSA-N 1 0 333.388 2.303 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341203999 465052888 /nfs/dbraw/zinc/05/28/88/465052888.db2.gz DPBYBTPGWMROFB-BETUJISGSA-N 1 0 341.433 2.136 10 5 EEBERO C[NH+](C)C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000127956883 462597291 /nfs/dbraw/zinc/59/72/91/462597291.db2.gz BKIQTVDKGRPVGI-UHFFFAOYSA-N 1 0 340.811 2.213 10 5 EEBERO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000123245777 463326180 /nfs/dbraw/zinc/32/61/80/463326180.db2.gz VMTYZGMQAICSJY-PBHICJAKSA-N 1 0 333.432 2.226 10 5 EEBERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171665355 463902063 /nfs/dbraw/zinc/90/20/63/463902063.db2.gz WZZUBDHGFLIPEI-QGZVFWFLSA-N 1 0 327.384 2.384 10 5 EEBERO C[C@@H](O)C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000172179117 464010483 /nfs/dbraw/zinc/01/04/83/464010483.db2.gz RBGCXPXKTRNVIX-VXGBXAGGSA-N 1 0 327.812 2.135 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262439297 464024830 /nfs/dbraw/zinc/02/48/30/464024830.db2.gz HFQZGMRMTPZMHP-UHFFFAOYSA-N 1 0 328.372 2.289 10 5 EEBERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000284569505 464246731 /nfs/dbraw/zinc/24/67/31/464246731.db2.gz OEBDRTLKVAVQAY-IRXDYDNUSA-N 1 0 328.372 2.052 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000245433521 464480573 /nfs/dbraw/zinc/48/05/73/464480573.db2.gz PGRTUXBWXCZXAG-ZBFHGGJFSA-N 1 0 346.431 2.400 10 5 EEBERO CO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000285413938 464555370 /nfs/dbraw/zinc/55/53/70/464555370.db2.gz PTIPGRBWQAVHQZ-TXEJJXNPSA-N 1 0 325.340 2.172 10 5 EEBERO COC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182409168 464648300 /nfs/dbraw/zinc/64/83/00/464648300.db2.gz HSFQDYGYMLGQQY-JKSUJKDBSA-N 1 0 346.383 2.312 10 5 EEBERO CCOc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177115297 464934172 /nfs/dbraw/zinc/93/41/72/464934172.db2.gz KVJQFCFCDPFLIY-AAEUAGOBSA-N 1 0 333.388 2.349 10 5 EEBERO CC[C@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000268233290 464986063 /nfs/dbraw/zinc/98/60/63/464986063.db2.gz VVGQPWSMMPYMOT-RYUDHWBXSA-N 1 0 341.383 2.024 10 5 EEBERO CC[C@@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000268233286 464986093 /nfs/dbraw/zinc/98/60/93/464986093.db2.gz VVGQPWSMMPYMOT-NWDGAFQWSA-N 1 0 341.383 2.024 10 5 EEBERO COc1cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000339762232 465496622 /nfs/dbraw/zinc/49/66/22/465496622.db2.gz TYKVJBOSUQTRLJ-DLBZAZTESA-N 1 0 336.388 2.013 10 5 EEBERO C[C@@H]1CCC[C@](CNc2ncc([N+](=O)[O-])cc2C(N)=O)([NH+](C)C)C1 ZINC000299059223 465581010 /nfs/dbraw/zinc/58/10/10/465581010.db2.gz NAKQINOISNFXKX-BZNIZROVSA-N 1 0 335.408 2.011 10 5 EEBERO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597099410 468442952 /nfs/dbraw/zinc/44/29/52/468442952.db2.gz ZUXODFYFMRKQGW-VIFPVBQESA-N 1 0 341.799 2.246 10 5 EEBERO C[C@H](CC[NH+](C)C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597103957 468444452 /nfs/dbraw/zinc/44/44/52/468444452.db2.gz NTLJLMLAOCVRMT-MRVPVSSYSA-N 1 0 329.788 2.292 10 5 EEBERO O=C(C[NH2+]C1(CCO)CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000353645146 466037306 /nfs/dbraw/zinc/03/73/06/466037306.db2.gz BESPEXCVUDGONU-UHFFFAOYSA-N 1 0 347.415 2.159 10 5 EEBERO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035263 468468218 /nfs/dbraw/zinc/46/82/18/468468218.db2.gz NDLMZORRQNBNGD-UHFFFAOYSA-N 1 0 340.286 2.245 10 5 EEBERO O=[N+]([O-])c1ccc(CO)cc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000302018092 466080280 /nfs/dbraw/zinc/08/02/80/466080280.db2.gz CZDDCPALGLMWSD-ZWKOTPCHSA-N 1 0 349.431 2.267 10 5 EEBERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000372280585 466273457 /nfs/dbraw/zinc/27/34/57/466273457.db2.gz FCMIAEFKXRNDQR-GJZGRUSLSA-N 1 0 336.388 2.446 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000357931746 466329115 /nfs/dbraw/zinc/32/91/15/466329115.db2.gz FRJPXGTUKADBAU-UHFFFAOYSA-N 1 0 349.435 2.057 10 5 EEBERO C[NH+](C)C[C@@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807194 466471965 /nfs/dbraw/zinc/47/19/65/466471965.db2.gz GRMRPQKKUXAFQC-ZWKOTPCHSA-N 1 0 329.400 2.196 10 5 EEBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCSC[C@H]2CCO)cc1 ZINC000347373623 466597139 /nfs/dbraw/zinc/59/71/39/466597139.db2.gz QFMXTKZOQSBUQF-CQSZACIVSA-N 1 0 326.418 2.164 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000372860325 466619045 /nfs/dbraw/zinc/61/90/45/466619045.db2.gz UUUWXLWBRATKCK-WFASDCNBSA-N 1 0 333.388 2.094 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000354553681 466639617 /nfs/dbraw/zinc/63/96/17/466639617.db2.gz NYRQHOPIMMBSON-UHFFFAOYSA-N 1 0 335.404 2.212 10 5 EEBERO Cc1sc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000373280142 466751507 /nfs/dbraw/zinc/75/15/07/466751507.db2.gz VZHMGJJZBPJFDF-UHFFFAOYSA-N 1 0 349.416 2.680 10 5 EEBERO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnc(-c3ccncc3)s2)c1 ZINC000427754146 467176311 /nfs/dbraw/zinc/17/63/11/467176311.db2.gz RFMDDXFRXJEAOX-UHFFFAOYSA-N 1 0 330.373 2.100 10 5 EEBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487194181 468027739 /nfs/dbraw/zinc/02/77/39/468027739.db2.gz ILESUYMQGYSHGK-NSHDSACASA-N 1 0 341.358 2.405 10 5 EEBERO CC(C)[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531265013 468040314 /nfs/dbraw/zinc/04/03/14/468040314.db2.gz QRCYYDMSDSVEAJ-DOMZBBRYSA-N 1 0 331.372 2.205 10 5 EEBERO CCc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590399912 468247147 /nfs/dbraw/zinc/24/71/47/468247147.db2.gz FDHRCRLSCCODFQ-RDJZCZTQSA-N 1 0 347.415 2.092 10 5 EEBERO CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CC[N@H+](C)C1 ZINC000597946962 468721257 /nfs/dbraw/zinc/72/12/57/468721257.db2.gz UAEYRDMMDWYMGZ-HNNXBMFYSA-N 1 0 330.388 2.102 10 5 EEBERO CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601114968 468746525 /nfs/dbraw/zinc/74/65/25/468746525.db2.gz COBYSILUEWQBCT-VIFPVBQESA-N 1 0 333.314 2.020 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000601140430 468757881 /nfs/dbraw/zinc/75/78/81/468757881.db2.gz YRZABWKODNCSKV-OAHLLOKOSA-N 1 0 346.362 2.308 10 5 EEBERO Nc1c(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000595223160 468787744 /nfs/dbraw/zinc/78/77/44/468787744.db2.gz ZQGIOKBXVAMWPF-UKRRQHHQSA-N 1 0 340.383 2.134 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593075132 468860834 /nfs/dbraw/zinc/86/08/34/468860834.db2.gz LIPPXQWUMYTGHY-WFASDCNBSA-N 1 0 337.395 2.465 10 5 EEBERO C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598540007 468906368 /nfs/dbraw/zinc/90/63/68/468906368.db2.gz LASRHBSFNFDARL-WMLDXEAASA-N 1 0 349.431 2.268 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598540815 468907191 /nfs/dbraw/zinc/90/71/91/468907191.db2.gz QPUKILLLHUDLBU-HNNXBMFYSA-N 1 0 335.404 2.086 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@H]1CCC[N@H+]1CCCO ZINC000593474835 468997128 /nfs/dbraw/zinc/99/71/28/468997128.db2.gz BFULCWOZXWZALY-CQSZACIVSA-N 1 0 330.388 2.402 10 5 EEBERO COc1ccc(CN2CC[C@H]2CNc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000599140411 469133386 /nfs/dbraw/zinc/13/33/86/469133386.db2.gz RUUJZDWCVYRBPS-AWEZNQCLSA-N 1 0 345.403 2.332 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC000611395629 469240904 /nfs/dbraw/zinc/24/09/04/469240904.db2.gz QOSJWKVTEFIJRS-DLBZAZTESA-N 1 0 330.388 2.283 10 5 EEBERO COC(=O)c1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000599443765 469259849 /nfs/dbraw/zinc/25/98/49/469259849.db2.gz TVZDCNWNBQEJPW-UHFFFAOYSA-N 1 0 329.356 2.451 10 5 EEBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000189901480 533876687 /nfs/dbraw/zinc/87/66/87/533876687.db2.gz UJMITLKOJRUMDM-ZDUSSCGKSA-N 1 0 326.360 2.328 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000177157113 680073461 /nfs/dbraw/zinc/07/34/61/680073461.db2.gz PZYWBWUCIJIADJ-HNNXBMFYSA-N 1 0 344.419 2.227 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000062261037 680084198 /nfs/dbraw/zinc/08/41/98/680084198.db2.gz HMKITXQRYLRBEO-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928443980 683175477 /nfs/dbraw/zinc/17/54/77/683175477.db2.gz HQCNOVICHXEDJF-SCVCMEIPSA-N 1 0 341.795 2.224 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721488 684699091 /nfs/dbraw/zinc/69/90/91/684699091.db2.gz BZFSAEKDVAPISI-LLCTXKFZSA-N 1 0 332.400 2.471 10 5 EEBERO CC[N@H+](CCNC(=O)c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC001691006094 1176481856 /nfs/dbraw/zinc/48/18/56/1176481856.db2.gz HWZZJGGMSXKFKR-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC001691181350 1177682813 /nfs/dbraw/zinc/68/28/13/1177682813.db2.gz UFCGEMNTIVULFU-VXGBXAGGSA-N 1 0 345.852 2.395 10 5 EEBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1=COCCC1 ZINC001691202789 1177710161 /nfs/dbraw/zinc/71/01/61/1177710161.db2.gz CUWADLCQVZWRRY-UHFFFAOYSA-N 1 0 345.399 2.370 10 5 EEBERO O=C(N[C@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482015746 1183133905 /nfs/dbraw/zinc/13/39/05/1183133905.db2.gz GPKFBIBPKNVCND-SWUIMCBGSA-N 1 0 343.427 2.382 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCOCC1 ZINC001271984663 1186758709 /nfs/dbraw/zinc/75/87/09/1186758709.db2.gz RPZWFEUIDLNDSR-UHFFFAOYSA-N 1 0 349.431 2.302 10 5 EEBERO [NH3+][C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[C@@H]1C(F)(F)F ZINC000905725044 1189899911 /nfs/dbraw/zinc/89/99/11/1189899911.db2.gz XMUMPZAMIPTTOW-DTWKUNHWSA-N 1 0 341.293 2.254 10 5 EEBERO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703520286 1196528208 /nfs/dbraw/zinc/52/82/08/1196528208.db2.gz VPNMJAZALLEMMW-AOOOYVTPSA-N 1 0 342.193 2.053 10 5 EEBERO O=C1OCC[C@@H]1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000872114075 1198048980 /nfs/dbraw/zinc/04/89/80/1198048980.db2.gz TWWJKVNTRKKPPB-BFHYXJOUSA-N 1 0 336.392 2.208 10 5 EEBERO CCOc1cc(C(=O)O[C@H](CC)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000870554717 1200741418 /nfs/dbraw/zinc/74/14/18/1200741418.db2.gz MMJKTRKSDIYJKK-LLVKDONJSA-N 1 0 340.376 2.499 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000866382163 1201504026 /nfs/dbraw/zinc/50/40/26/1201504026.db2.gz USVKUTPIMWYWOQ-PXAZEXFGSA-N 1 0 340.395 2.432 10 5 EEBERO Cc1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000866540234 1201544081 /nfs/dbraw/zinc/54/40/81/1201544081.db2.gz WUOCMTMVSHFCTM-UHFFFAOYSA-N 1 0 327.388 2.452 10 5 EEBERO C[C@@]([NH3+])(C(=O)N[C@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867943124 1201710845 /nfs/dbraw/zinc/71/08/45/1201710845.db2.gz MSIFNEABEPRAGG-LPHOPBHVSA-N 1 0 339.395 2.442 10 5 EEBERO Cc1c[nH]cc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001274578601 1205086289 /nfs/dbraw/zinc/08/62/89/1205086289.db2.gz KLNZFGVAGQXOKH-NSCUHMNNSA-N 1 0 328.372 2.307 10 5 EEBERO C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924527859 1205991459 /nfs/dbraw/zinc/99/14/59/1205991459.db2.gz CJUAWNWVHDXVQK-GXTWGEPZSA-N 1 0 346.387 2.062 10 5 EEBERO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928083964 1206337125 /nfs/dbraw/zinc/33/71/25/1206337125.db2.gz BVCMFJYTZXYKMN-MAZHCROVSA-N 1 0 349.456 2.394 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cn1 ZINC000929170783 1206453542 /nfs/dbraw/zinc/45/35/42/1206453542.db2.gz CQIOIZKKSUZTQN-UBSAEIQESA-N 1 0 338.358 2.403 10 5 EEBERO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000930732586 1206578872 /nfs/dbraw/zinc/57/88/72/1206578872.db2.gz NSGADIHWNNWZDM-HNNXBMFYSA-N 1 0 348.403 2.278 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931650864 1207433114 /nfs/dbraw/zinc/43/31/14/1207433114.db2.gz CYIZWWDQJCNKDP-OAHLLOKOSA-N 1 0 335.379 2.363 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903486654 1240626864 /nfs/dbraw/zinc/62/68/64/1240626864.db2.gz XACSTPRGTDIOEN-MRXNPFEDSA-N 1 0 346.431 2.496 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1C[NH2+]CCC1(F)F ZINC000903955425 1242702244 /nfs/dbraw/zinc/70/22/44/1242702244.db2.gz RKZGPFQOYHBKIB-LBPRGKRZSA-N 1 0 329.347 2.328 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973226 1242807571 /nfs/dbraw/zinc/80/75/71/1242807571.db2.gz BTGTYTKUBNASSV-HNNXBMFYSA-N 1 0 349.431 2.242 10 5 EEBERO CCCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC001490924613 1258485338 /nfs/dbraw/zinc/48/53/38/1258485338.db2.gz HHRZMTDVQLSQOU-JOCQHMNTSA-N 1 0 349.435 2.036 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001187685697 1279616258 /nfs/dbraw/zinc/61/62/58/1279616258.db2.gz CXDWMHHXGMOFQY-UHFFFAOYSA-N 1 0 333.388 2.494 10 5 EEBERO Nc1cc[nH+]c2c1CN(c1cc3c(cc1[N+](=O)[O-])CCC(=O)N3)CC2 ZINC000857899388 1293946965 /nfs/dbraw/zinc/94/69/65/1293946965.db2.gz DHLMBAGUMZULBN-UHFFFAOYSA-N 1 0 339.355 2.019 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843471622 1315920174 /nfs/dbraw/zinc/92/01/74/1315920174.db2.gz XAGPRSSRAIXYBM-PELKAZGASA-N 1 0 329.759 2.044 10 5 EEBERO C[NH+](C)[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C1CC1 ZINC001162423896 1320853161 /nfs/dbraw/zinc/85/31/61/1320853161.db2.gz DDIIYXIPCHDHKU-CQSZACIVSA-N 1 0 345.359 2.225 10 5 EEBERO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001164037514 1321278292 /nfs/dbraw/zinc/27/82/92/1321278292.db2.gz ISFNMZNTLDHLQS-CYBMUJFWSA-N 1 0 334.763 2.500 10 5 EEBERO CC(C)SCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001317205156 1332132631 /nfs/dbraw/zinc/13/26/31/1332132631.db2.gz CEAQAHYDGBQRLV-QLPKVWCKSA-N 1 0 349.456 2.283 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cncs1 ZINC001320691374 1332935638 /nfs/dbraw/zinc/93/56/38/1332935638.db2.gz DZHQUKCBRQHFJY-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO Cc1c[nH]cc1C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001321391233 1333093073 /nfs/dbraw/zinc/09/30/73/1333093073.db2.gz CCTOXBUUPKZOGG-IHWYPQMZSA-N 1 0 328.372 2.307 10 5 EEBERO C[C@]12COC[C@@H]1C[N@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C2 ZINC001333720851 1336114692 /nfs/dbraw/zinc/11/46/92/1336114692.db2.gz CWXPUCLVLWARTA-RDJZCZTQSA-N 1 0 328.372 2.384 10 5 EEBERO O=[N+]([O-])c1cccc(OCCN2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001560139691 1342508640 /nfs/dbraw/zinc/50/86/40/1342508640.db2.gz GTLFVTNQNHYDBV-UHFFFAOYSA-N 1 0 349.431 2.207 10 5 EEBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC001567356065 1342744084 /nfs/dbraw/zinc/74/40/84/1342744084.db2.gz MECGVRYRCQFODG-AWEZNQCLSA-N 1 0 335.404 2.353 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001625450986 1352449132 /nfs/dbraw/zinc/44/91/32/1352449132.db2.gz ZRESPZCXWGKMBF-INIZCTEOSA-N 1 0 334.420 2.243 10 5 EEBERO O=C1N[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]2CO1 ZINC001646812465 1352989964 /nfs/dbraw/zinc/98/99/64/1352989964.db2.gz DABTWSZQLVSILQ-TVQRCGJNSA-N 1 0 325.752 2.179 10 5 EEBERO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001650768452 1354029167 /nfs/dbraw/zinc/02/91/67/1354029167.db2.gz GMJSDVAPHLPPEW-UHFFFAOYSA-N 1 0 349.435 2.012 10 5 EEBERO CC(C)(C)[NH2+]CCC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001651755781 1354063724 /nfs/dbraw/zinc/06/37/24/1354063724.db2.gz XHDHHHKOZNBMOQ-UHFFFAOYSA-N 1 0 347.419 2.298 10 5 EEBERO CC1CC[NH+](CC[C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001654512811 1354150797 /nfs/dbraw/zinc/15/07/97/1354150797.db2.gz YDWAHXYRUPJSJE-INIZCTEOSA-N 1 0 335.452 2.378 10 5 EEBERO CCc1cc(C(=O)N(CC)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001668366115 1355930351 /nfs/dbraw/zinc/93/03/51/1355930351.db2.gz UPMLFYBIGMHOGB-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO CC(C)CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001698722118 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O=[N+]([O-])c1cccc(OCC[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000363643212 466529266 /nfs/dbraw/zinc/52/92/66/466529266.db2.gz LWTKQGHVLZAOJA-UHFFFAOYSA-N 1 0 328.368 2.093 10 5 EEBERO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000377675595 467113001 /nfs/dbraw/zinc/11/30/01/467113001.db2.gz KRZIPKLWWJKZBJ-JKSUJKDBSA-N 1 0 349.822 2.480 10 5 EEBERO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000450952214 467213724 /nfs/dbraw/zinc/21/37/24/467213724.db2.gz HMEBDYDAUAAZJI-ZDUSSCGKSA-N 1 0 337.420 2.275 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432319526 467230337 /nfs/dbraw/zinc/23/03/37/467230337.db2.gz GZRKMWITOVAILM-ZDUSSCGKSA-N 1 0 330.388 2.036 10 5 EEBERO O=C(C[NH2+][C@@H]1CC2CCC1CC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000433055415 467287630 /nfs/dbraw/zinc/28/76/30/467287630.db2.gz XZQAGYRHAVLIPS-HTAVTVPLSA-N 1 0 347.371 2.430 10 5 EEBERO COC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000452102407 467322891 /nfs/dbraw/zinc/32/28/91/467322891.db2.gz KVVQTBKONNIPQK-RHSMWYFYSA-N 1 0 347.415 2.449 10 5 EEBERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000408239477 467534383 /nfs/dbraw/zinc/53/43/83/467534383.db2.gz ZCZSRCOOBCRFRT-STQMWFEESA-N 1 0 341.433 2.006 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000449420960 467642373 /nfs/dbraw/zinc/64/23/73/467642373.db2.gz HATOVMPKANFGBE-WFBYXXMGSA-N 1 0 345.346 2.306 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567821227 468216900 /nfs/dbraw/zinc/21/69/00/468216900.db2.gz XAWIMOANUHQNOK-KRWDZBQOSA-N 1 0 340.383 2.363 10 5 EEBERO CC(C)OCC[C@@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000591767735 468518607 /nfs/dbraw/zinc/51/86/07/468518607.db2.gz SGUKTRJZVKFGBS-OAHLLOKOSA-N 1 0 335.404 2.384 10 5 EEBERO Cc1ccc(OC[C@@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000582542494 468555766 /nfs/dbraw/zinc/55/57/66/468555766.db2.gz YDLQYTBOGFHNBV-INIZCTEOSA-N 1 0 346.383 2.312 10 5 EEBERO Cc1cc(NCCCc2ncn(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000591967216 468585033 /nfs/dbraw/zinc/58/50/33/468585033.db2.gz JIIJOBINSRDVSV-UHFFFAOYSA-N 1 0 326.360 2.047 10 5 EEBERO O=[N+]([O-])c1cccc(F)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600767127 468652542 /nfs/dbraw/zinc/65/25/42/468652542.db2.gz QSYQQJJVYRBRHU-AWEZNQCLSA-N 1 0 337.395 2.324 10 5 EEBERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000597878234 468701891 /nfs/dbraw/zinc/70/18/91/468701891.db2.gz OWNPPQRPYQQGNB-UHFFFAOYSA-N 1 0 347.415 2.216 10 5 EEBERO CC(C)c1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] ZINC000592525258 468720945 /nfs/dbraw/zinc/72/09/45/468720945.db2.gz NRHHFABORHIZQS-AWEZNQCLSA-N 1 0 348.447 2.270 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226263 468788882 /nfs/dbraw/zinc/78/88/82/468788882.db2.gz SRVZJOHSSTVIBS-HOCLYGCPSA-N 1 0 346.431 2.387 10 5 EEBERO COc1nccnc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571612207 468810803 /nfs/dbraw/zinc/81/08/03/468810803.db2.gz MXHUFZLZHSPTAK-UHFFFAOYSA-N 1 0 327.344 2.207 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](CC2CCC2)[C@@H](C)CO)c1 ZINC000593029244 468844355 /nfs/dbraw/zinc/84/43/55/468844355.db2.gz OTUWZUPHAQYANU-LBPRGKRZSA-N 1 0 336.388 2.364 10 5 EEBERO Cc1noc(CN2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1[N+](=O)[O-] ZINC000595515268 468884808 /nfs/dbraw/zinc/88/48/08/468884808.db2.gz CZBFPEUYSMUJLD-BBRMVZONSA-N 1 0 335.335 2.191 10 5 EEBERO COC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000595617969 468925096 /nfs/dbraw/zinc/92/50/96/468925096.db2.gz ZGESMESXPNTEOV-OAHLLOKOSA-N 1 0 330.331 2.404 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000595630917 468931034 /nfs/dbraw/zinc/93/10/34/468931034.db2.gz CXAIGNAIXSDRIO-APHBMKBZSA-N 1 0 338.404 2.259 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)[C@H]2C1 ZINC000601596254 468931183 /nfs/dbraw/zinc/93/11/83/468931183.db2.gz VZFUWTRJITZGMV-CJNGLKHVSA-N 1 0 329.400 2.179 10 5 EEBERO CC(C)(CO)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593461114 468990141 /nfs/dbraw/zinc/99/01/41/468990141.db2.gz HWQXMOWXIXRHMK-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595851865 469046305 /nfs/dbraw/zinc/04/63/05/469046305.db2.gz UTBWEERNWKVJGT-AWEZNQCLSA-N 1 0 335.404 2.340 10 5 EEBERO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000598914036 469047924 /nfs/dbraw/zinc/04/79/24/469047924.db2.gz WCQGVZUPGOPRRB-QMMMGPOBSA-N 1 0 326.662 2.259 10 5 EEBERO Cc1sc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593615328 469059369 /nfs/dbraw/zinc/05/93/69/469059369.db2.gz AGEWFWLWYJEKHW-UHFFFAOYSA-N 1 0 349.478 2.221 10 5 EEBERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599004233 469084781 /nfs/dbraw/zinc/08/47/81/469084781.db2.gz RCYYLYRSFJLACP-HNNXBMFYSA-N 1 0 331.372 2.275 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1Nc1cnn(CC[NH+](C)C)c1 ZINC000587593724 469091200 /nfs/dbraw/zinc/09/12/00/469091200.db2.gz MDWGNOGOZUXQGT-UHFFFAOYSA-N 1 0 347.375 2.192 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596219183 469208889 /nfs/dbraw/zinc/20/88/89/469208889.db2.gz OVTQLWBADPLXQW-UHFFFAOYSA-N 1 0 349.778 2.373 10 5 EEBERO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599543723 469287947 /nfs/dbraw/zinc/28/79/47/469287947.db2.gz WNGBFELOBHHXFN-ZDUSSCGKSA-N 1 0 338.379 2.487 10 5 EEBERO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537141 469296874 /nfs/dbraw/zinc/29/68/74/469296874.db2.gz BHGXVAXPDZOZEW-CQSZACIVSA-N 1 0 342.399 2.178 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c2ccncc21 ZINC000596540890 469297082 /nfs/dbraw/zinc/29/70/82/469297082.db2.gz VRZUMSZIFJDZAY-AWEZNQCLSA-N 1 0 342.399 2.178 10 5 EEBERO CC1(C)CCC[C@](CO)([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000599593986 469303085 /nfs/dbraw/zinc/30/30/85/469303085.db2.gz JDNRFGRTKSLKSN-KRWDZBQOSA-N 1 0 335.404 2.454 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cccc1[N+](=O)[O-] ZINC000599640819 469320079 /nfs/dbraw/zinc/32/00/79/469320079.db2.gz XXRUFRRRCMHDBG-KBXCAEBGSA-N 1 0 347.415 2.326 10 5 EEBERO C[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000617715316 469768792 /nfs/dbraw/zinc/76/87/92/469768792.db2.gz AJFOKXDZZMBBFN-GFCCVEGCSA-N 1 0 331.376 2.095 10 5 EEBERO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000608907598 469885439 /nfs/dbraw/zinc/88/54/39/469885439.db2.gz NGCUXIOBJLLNHD-UHFFFAOYSA-N 1 0 349.310 2.304 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC12CCOCC2 ZINC000618318139 469960195 /nfs/dbraw/zinc/96/01/95/469960195.db2.gz DMAVDJXUBPBOFA-UHFFFAOYSA-N 1 0 333.388 2.487 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000532395696 485542989 /nfs/dbraw/zinc/54/29/89/485542989.db2.gz YLSMPXWNABZPBT-OAHLLOKOSA-N 1 0 332.335 2.162 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NCCC[NH+]1CCC(O)CC1)CCCC2 ZINC000516647151 518203064 /nfs/dbraw/zinc/20/30/64/518203064.db2.gz KGATVWWWSBBBMG-UHFFFAOYSA-N 1 0 334.420 2.127 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000776272766 577456111 /nfs/dbraw/zinc/45/61/11/577456111.db2.gz VZPAVDCGLYLXKD-HUUCEWRRSA-N 1 0 330.340 2.058 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000757863065 577865816 /nfs/dbraw/zinc/86/58/16/577865816.db2.gz NESLAZKETHRQEL-FUHWJXTLSA-N 1 0 330.384 2.477 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cc(Cl)no1 ZINC001267458091 1179042390 /nfs/dbraw/zinc/04/23/90/1179042390.db2.gz ICLLMNVADFOGIC-UHFFFAOYSA-N 1 0 344.780 2.160 10 5 EEBERO COC(=O)c1cc(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)cc([N+](=O)[O-])c1 ZINC000863715959 1197832141 /nfs/dbraw/zinc/83/21/41/1197832141.db2.gz JYUFOGYLLZIJBY-IRXDYDNUSA-N 1 0 342.351 2.444 10 5 EEBERO O=C1OCC[C@H]1CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872117845 1198049194 /nfs/dbraw/zinc/04/91/94/1198049194.db2.gz RYFNVGRXLRGCGR-CQSZACIVSA-N 1 0 347.415 2.497 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205079 1201464202 /nfs/dbraw/zinc/46/42/02/1201464202.db2.gz JVENLLBLMJJTJD-KOLCDFICSA-N 1 0 341.209 2.283 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CC[C@H]21 ZINC000866207442 1201464834 /nfs/dbraw/zinc/46/48/34/1201464834.db2.gz IXTPQSWJIRODOU-GXSJLCMTSA-N 1 0 341.209 2.283 10 5 EEBERO O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866720966 1201589134 /nfs/dbraw/zinc/58/91/34/1201589134.db2.gz QGVVYGBLRYJBFE-OLZOCXBDSA-N 1 0 338.795 2.013 10 5 EEBERO Cc1c(NC(=O)CCN2CCC[C@H]3[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000866720592 1201589388 /nfs/dbraw/zinc/58/93/88/1201589388.db2.gz GRCOIELLVBCQGG-GDBMZVCRSA-N 1 0 332.404 2.058 10 5 EEBERO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881864146 1201778048 /nfs/dbraw/zinc/77/80/48/1201778048.db2.gz LTUZMLUHBPYJRI-LLVKDONJSA-N 1 0 342.193 2.068 10 5 EEBERO Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000868806810 1201883799 /nfs/dbraw/zinc/88/37/99/1201883799.db2.gz ZLTJLNQYZSBEDM-HNNXBMFYSA-N 1 0 334.420 2.434 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887938898 1204513615 /nfs/dbraw/zinc/51/36/15/1204513615.db2.gz FJPPYOGZVBIMJW-KBEGMRNHSA-N 1 0 329.400 2.108 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000928453409 1206386849 /nfs/dbraw/zinc/38/68/49/1206386849.db2.gz KLDMIHINCXLTCS-HIFRSBDPSA-N 1 0 346.431 2.020 10 5 EEBERO O=C(N[C@H]1C[C@H]1C1CC[NH+](CC[N+](=O)[O-])CC1)OCc1ccccc1 ZINC000930552302 1206566726 /nfs/dbraw/zinc/56/67/26/1206566726.db2.gz RMOIWSQHOZBRFE-IRXDYDNUSA-N 1 0 347.415 2.290 10 5 EEBERO O=C(N[C@@H]1C[C@@H]1C1CC[NH+](CC[N+](=O)[O-])CC1)OCc1ccccc1 ZINC000930552301 1206566790 /nfs/dbraw/zinc/56/67/90/1206566790.db2.gz RMOIWSQHOZBRFE-IAGOWNOFSA-N 1 0 347.415 2.290 10 5 EEBERO CCO[C@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C[NH+](C)C ZINC000930863159 1206588467 /nfs/dbraw/zinc/58/84/67/1206588467.db2.gz NLOCSAZHIKERAX-CYBMUJFWSA-N 1 0 338.408 2.300 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001198828573 1285361294 /nfs/dbraw/zinc/36/12/94/1285361294.db2.gz LPGHYGATDCJLHE-INIZCTEOSA-N 1 0 344.367 2.098 10 5 EEBERO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000853847755 1292486433 /nfs/dbraw/zinc/48/64/33/1292486433.db2.gz BYZKQSMCNBNHCJ-ZDUSSCGKSA-N 1 0 340.811 2.484 10 5 EEBERO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000860088226 1294799858 /nfs/dbraw/zinc/79/98/58/1294799858.db2.gz PIYVKYJIBCQZQW-VXGBXAGGSA-N 1 0 339.367 2.155 10 5 EEBERO CCC[N@H+](CC)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001294275146 1328954716 /nfs/dbraw/zinc/95/47/16/1328954716.db2.gz WARXJEMOHXNEJV-UHFFFAOYSA-N 1 0 346.790 2.431 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cocn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316888466 1331954263 /nfs/dbraw/zinc/95/42/63/1331954263.db2.gz WBGUWDFLYRBRBB-UHFFFAOYSA-N 1 0 332.360 2.225 10 5 EEBERO Cc1cccc(Cl)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323440277 1333464538 /nfs/dbraw/zinc/46/45/38/1333464538.db2.gz AJNFZURYTGFCJJ-BXUZGUMPSA-N 1 0 337.807 2.052 10 5 EEBERO COCC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC001326857044 1334171368 /nfs/dbraw/zinc/17/13/68/1334171368.db2.gz XMQOVUKNLFCZBN-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO CC(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001330569368 1334871795 /nfs/dbraw/zinc/87/17/95/1334871795.db2.gz HCQZYXXQFGAPBV-CTYIDZIISA-N 1 0 335.404 2.004 10 5 EEBERO COc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001346468074 1337484970 /nfs/dbraw/zinc/48/49/70/1337484970.db2.gz NXTVFBYURXYYEN-CYZMBNFOSA-N 1 0 334.376 2.065 10 5 EEBERO Cn1nccc1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001560238086 1342508980 /nfs/dbraw/zinc/50/89/80/1342508980.db2.gz XELAXZDCUCIZAZ-DOTOQJQBSA-N 1 0 330.388 2.069 10 5 EEBERO CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001565584719 1342558426 /nfs/dbraw/zinc/55/84/26/1342558426.db2.gz HNFVPZZKUYFCIP-OAHLLOKOSA-N 1 0 337.807 2.343 10 5 EEBERO CC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CCOCC1 ZINC001569423100 1342868039 /nfs/dbraw/zinc/86/80/39/1342868039.db2.gz ISNANUNBBCDNGI-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO COc1ccc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)o1 ZINC001569423599 1342868234 /nfs/dbraw/zinc/86/82/34/1342868234.db2.gz BJLGLYQMVUZIOT-UHFFFAOYSA-N 1 0 345.355 2.249 10 5 EEBERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001626741583 1352472008 /nfs/dbraw/zinc/47/20/08/1352472008.db2.gz LZSGUGPHUVQSFW-RYUDHWBXSA-N 1 0 349.435 2.058 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001635643550 1352649743 /nfs/dbraw/zinc/64/97/43/1352649743.db2.gz CSZNANVPVQGYQJ-HNNXBMFYSA-N 1 0 334.420 2.243 10 5 EEBERO COC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001648087360 1353415631 /nfs/dbraw/zinc/41/56/31/1353415631.db2.gz NHXJLLQJYINKHM-HNNXBMFYSA-N 1 0 337.332 2.324 10 5 EEBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)c1ccccn1 ZINC001673139450 1354118654 /nfs/dbraw/zinc/11/86/54/1354118654.db2.gz SREFTALVDWEZHI-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)cc1F ZINC001656373588 1354226017 /nfs/dbraw/zinc/22/60/17/1354226017.db2.gz ZVBJJZKSTSMAPY-CALCHBBNSA-N 1 0 338.379 2.081 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001661417335 1354636509 /nfs/dbraw/zinc/63/65/09/1354636509.db2.gz DUFUSSXGGWFFDY-JOCQHMNTSA-N 1 0 349.435 2.036 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(F)(F)F ZINC001668377172 1355931437 /nfs/dbraw/zinc/93/14/37/1355931437.db2.gz JNXOWINFFBSKJX-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1cccc(F)c1 ZINC001135715070 784311997 /nfs/dbraw/zinc/31/19/97/784311997.db2.gz QUGSDRUMJBTYHA-INIZCTEOSA-N 1 0 346.362 2.349 10 5 EEBERO CNc1nccc(C(=O)N2[C@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000912650175 788282167 /nfs/dbraw/zinc/28/21/67/788282167.db2.gz JCCGDPAKRAMHNL-OLZOCXBDSA-N 1 0 349.435 2.366 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912911945 788469115 /nfs/dbraw/zinc/46/91/15/788469115.db2.gz SEEBIULNOWWASI-GFCCVEGCSA-N 1 0 326.356 2.063 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912911946 788469511 /nfs/dbraw/zinc/46/95/11/788469511.db2.gz SEEBIULNOWWASI-LBPRGKRZSA-N 1 0 326.356 2.063 10 5 EEBERO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903001 788482578 /nfs/dbraw/zinc/48/25/78/788482578.db2.gz KBKVBGRCIRAVCQ-CQSZACIVSA-N 1 0 337.807 2.487 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@]4(C3)CCCC[NH2+]4)n2)c1 ZINC000923533533 789736199 /nfs/dbraw/zinc/73/61/99/789736199.db2.gz GGSMNJLOXCGDBX-QGZVFWFLSA-N 1 0 343.387 2.363 10 5 EEBERO CS(=O)(=O)C1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000922421192 801019561 /nfs/dbraw/zinc/01/95/61/801019561.db2.gz CLXSOBGIBMGCOQ-UHFFFAOYSA-N 1 0 326.418 2.288 10 5 EEBERO C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788541059 807566564 /nfs/dbraw/zinc/56/65/64/807566564.db2.gz BRZSTJYPNAWGBI-TZMCWYRMSA-N 1 0 342.403 2.287 10 5 EEBERO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788615066 807607488 /nfs/dbraw/zinc/60/74/88/807607488.db2.gz UVNVUXGHGQAZAX-GXTWGEPZSA-N 1 0 344.419 2.230 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001444323406 1098886236 /nfs/dbraw/zinc/88/62/36/1098886236.db2.gz HPJJSERZSCWGNM-ZDUSSCGKSA-N 1 0 332.404 2.268 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@@H](CO)C2)o1 ZINC001459539274 1110213368 /nfs/dbraw/zinc/21/33/68/1110213368.db2.gz LDSNZBGDTTWBLR-SECBINFHSA-N 1 0 338.751 2.112 10 5 EEBERO NC1=CCN(c2c3ccc(Br)cc3ncc2[N+](=O)[O-])[NH2+]1 ZINC001472876279 1110564754 /nfs/dbraw/zinc/56/47/54/1110564754.db2.gz NLBJEBSAMDJFRU-UHFFFAOYSA-N 1 0 336.149 2.030 10 5 EEBERO Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001473866532 1110582516 /nfs/dbraw/zinc/58/25/16/1110582516.db2.gz IIFCCOKEPMLEBC-GDBMZVCRSA-N 1 0 347.419 2.233 10 5 EEBERO O=C(NCc1ccc2c[nH+]cn2c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001524865245 1120236009 /nfs/dbraw/zinc/23/60/09/1120236009.db2.gz BRVWYULSCJDVEK-UHFFFAOYSA-N 1 0 336.311 2.049 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC001543063839 1124119903 /nfs/dbraw/zinc/11/99/03/1124119903.db2.gz LYKGURWKSFMBDY-MRXNPFEDSA-N 1 0 334.420 2.417 10 5 EEBERO Cc1nc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001569190316 1125154325 /nfs/dbraw/zinc/15/43/25/1125154325.db2.gz PHYSGHLPZHAGGE-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186858533 236044563 /nfs/dbraw/zinc/04/45/63/236044563.db2.gz NPVAXBNAGSQLHX-GWCFXTLKSA-N 1 0 346.412 2.446 10 5 EEBERO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H]1[NH3+] ZINC000070145933 215677205 /nfs/dbraw/zinc/67/72/05/215677205.db2.gz DHFHWFNZXZGWQA-PRHODGIISA-N 1 0 342.193 2.167 10 5 EEBERO CCOC(=O)COCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546768 243152591 /nfs/dbraw/zinc/15/25/91/243152591.db2.gz JTCJBVZIJVLANK-OAHLLOKOSA-N 1 0 336.388 2.354 10 5 EEBERO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422916782 285110554 /nfs/dbraw/zinc/11/05/54/285110554.db2.gz FAYGJMQCVBWJOV-QZTJIDSGSA-N 1 0 333.432 2.274 10 5 EEBERO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892927 292213767 /nfs/dbraw/zinc/21/37/67/292213767.db2.gz PLQVFKSWZDQITA-HNNXBMFYSA-N 1 0 344.371 2.480 10 5 EEBERO Cn1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000173320106 152158168 /nfs/dbraw/zinc/15/81/68/152158168.db2.gz HUNJYVXLGVFKSF-OAHLLOKOSA-N 1 0 343.387 2.494 10 5 EEBERO C[NH+]1CCC(CCNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000125332937 292295727 /nfs/dbraw/zinc/29/57/27/292295727.db2.gz KLLMHGJIMPNZSD-UHFFFAOYSA-N 1 0 346.431 2.394 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([NH+](C)C)CC1 ZINC000127918459 292332616 /nfs/dbraw/zinc/33/26/16/292332616.db2.gz HFALDPRDGUBKSZ-UHFFFAOYSA-N 1 0 334.420 2.258 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)CC3CCCC3)C2)nc1 ZINC000249120174 160374337 /nfs/dbraw/zinc/37/43/37/160374337.db2.gz SOJRVJJEUKDSET-HOCLYGCPSA-N 1 0 334.420 2.417 10 5 EEBERO C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261896344 160425373 /nfs/dbraw/zinc/42/53/73/160425373.db2.gz VUOWEYHHKWELOJ-FZMZJTMJSA-N 1 0 332.404 2.369 10 5 EEBERO Cc1nc(C[C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000246223849 160268865 /nfs/dbraw/zinc/26/88/65/160268865.db2.gz DTZOUGQDDLRQOC-CZUORRHYSA-N 1 0 346.387 2.274 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000247004128 160305360 /nfs/dbraw/zinc/30/53/60/160305360.db2.gz QIRJNKAHLCOIQG-KGLIPLIRSA-N 1 0 333.388 2.059 10 5 EEBERO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352559302 162187378 /nfs/dbraw/zinc/18/73/78/162187378.db2.gz HGUUQLFVMVJYLQ-ZDUSSCGKSA-N 1 0 343.449 2.135 10 5 EEBERO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359039043 164043187 /nfs/dbraw/zinc/04/31/87/164043187.db2.gz IERKWPANOABHQI-VIFPVBQESA-N 1 0 331.319 2.266 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374110080 167019883 /nfs/dbraw/zinc/01/98/83/167019883.db2.gz UWDCSWABFRRTTR-UHFFFAOYSA-N 1 0 332.404 2.246 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000378399149 167686733 /nfs/dbraw/zinc/68/67/33/167686733.db2.gz HBNPXWHFTOZZCV-CQSZACIVSA-N 1 0 349.435 2.057 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000122605180 222122514 /nfs/dbraw/zinc/12/25/14/222122514.db2.gz FGVMAULNVUTWFM-DOMZBBRYSA-N 1 0 335.404 2.406 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123866959 222345046 /nfs/dbraw/zinc/34/50/46/222345046.db2.gz WZBFSRWDPFOIMM-KGLIPLIRSA-N 1 0 334.420 2.338 10 5 EEBERO COC(=O)c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)cc(C)c1[N+](=O)[O-] ZINC000268470580 274000049 /nfs/dbraw/zinc/00/00/49/274000049.db2.gz HWNMITYPSPVHCQ-ZDUSSCGKSA-N 1 0 331.372 2.140 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000180108767 277137140 /nfs/dbraw/zinc/13/71/40/277137140.db2.gz PGBCSQMABWMOPX-WBVHZDCISA-N 1 0 340.383 2.352 10 5 EEBERO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)c1 ZINC000532142038 317844763 /nfs/dbraw/zinc/84/47/63/317844763.db2.gz HSJVKJDNYRXJER-INIZCTEOSA-N 1 0 344.371 2.031 10 5 EEBERO COc1ccc(CC(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000533084820 317896910 /nfs/dbraw/zinc/89/69/10/317896910.db2.gz VDCHEQCQRCVUCJ-UHFFFAOYSA-N 1 0 349.431 2.383 10 5 EEBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CCC[NH+](C)C ZINC000539418196 318055608 /nfs/dbraw/zinc/05/56/08/318055608.db2.gz XBTHKBIHPKJSHE-LLVKDONJSA-N 1 0 343.811 2.426 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000563392692 319006122 /nfs/dbraw/zinc/00/61/22/319006122.db2.gz OQYNDHUALOFRCB-CQSZACIVSA-N 1 0 337.420 2.034 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000563424223 319009828 /nfs/dbraw/zinc/00/98/28/319009828.db2.gz AJPXCRQZSADGAR-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000567057418 319344667 /nfs/dbraw/zinc/34/46/67/319344667.db2.gz ARIWWQATGLXLKG-UHFFFAOYSA-N 1 0 335.404 2.052 10 5 EEBERO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000570617728 319681349 /nfs/dbraw/zinc/68/13/49/319681349.db2.gz NSPLNIYDAHQYPW-DYVFJYSZSA-N 1 0 332.404 2.441 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576747414 320200525 /nfs/dbraw/zinc/20/05/25/320200525.db2.gz AFQAONDXQPYWJK-CQSZACIVSA-N 1 0 334.420 2.391 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000577215870 320242675 /nfs/dbraw/zinc/24/26/75/320242675.db2.gz XRMNGAHDCSJUOH-DLBZAZTESA-N 1 0 342.395 2.482 10 5 EEBERO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[NH+]2CCC1CC2 ZINC000347920781 465310083 /nfs/dbraw/zinc/31/00/83/465310083.db2.gz DFCBGRNDAUANFK-INIZCTEOSA-N 1 0 328.372 2.242 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000127842074 462587788 /nfs/dbraw/zinc/58/77/88/462587788.db2.gz GXGSKLJILAMJDC-HUUCEWRRSA-N 1 0 343.387 2.164 10 5 EEBERO C[C@@H](Cn1cncn1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113330097 462589409 /nfs/dbraw/zinc/58/94/09/462589409.db2.gz VIRULGSRLXHLIX-NSHDSACASA-N 1 0 344.400 2.488 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154955323 462828241 /nfs/dbraw/zinc/82/82/41/462828241.db2.gz ACLRCYWZDPAQOW-QWHCGFSZSA-N 1 0 340.383 2.452 10 5 EEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000066562320 462905149 /nfs/dbraw/zinc/90/51/49/462905149.db2.gz RDCXFTFPRMULOA-AWEZNQCLSA-N 1 0 347.415 2.227 10 5 EEBERO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCOCC1 ZINC000077322779 462968893 /nfs/dbraw/zinc/96/88/93/462968893.db2.gz CPTMTTYPKOFUAN-UHFFFAOYSA-N 1 0 347.415 2.373 10 5 EEBERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160910032 463381812 /nfs/dbraw/zinc/38/18/12/463381812.db2.gz OFLNDNMGCVYVRF-HZPDHXFCSA-N 1 0 333.388 2.092 10 5 EEBERO CN(c1cccnn1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000105806382 463470289 /nfs/dbraw/zinc/47/02/89/463470289.db2.gz GLARASLIOXDKQA-UHFFFAOYSA-N 1 0 327.388 2.486 10 5 EEBERO [NH3+]C1CCN(c2nc3ccccc3n2-c2ccc([N+](=O)[O-])cn2)CC1 ZINC000044029893 463666375 /nfs/dbraw/zinc/66/63/75/463666375.db2.gz MQWCFTVGVOENFY-UHFFFAOYSA-N 1 0 338.371 2.256 10 5 EEBERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000283803289 464016253 /nfs/dbraw/zinc/01/62/53/464016253.db2.gz ASKNWWYVHWBBJB-RISCZKNCSA-N 1 0 330.812 2.496 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347847 464060687 /nfs/dbraw/zinc/06/06/87/464060687.db2.gz LKGIREVPFJVFHL-CYBMUJFWSA-N 1 0 332.404 2.092 10 5 EEBERO COC(=O)c1cc(C)nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000286196024 464835845 /nfs/dbraw/zinc/83/58/45/464835845.db2.gz ASEBYMWUNXCJBV-FUNVUKJBSA-N 1 0 348.403 2.146 10 5 EEBERO CNc1cc(N2CCC[C@@H]2CNc2cc(C)c([N+](=O)[O-])cn2)ncn1 ZINC000266841493 464840984 /nfs/dbraw/zinc/84/09/84/464840984.db2.gz MQYLJAGAPMPTQG-GFCCVEGCSA-N 1 0 343.391 2.211 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348223854 465497872 /nfs/dbraw/zinc/49/78/72/465497872.db2.gz YETNHCDXTOIEGM-HNNXBMFYSA-N 1 0 332.404 2.010 10 5 EEBERO CCO[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C[NH3+] ZINC000593915917 468431706 /nfs/dbraw/zinc/43/17/06/468431706.db2.gz LNGLUVNVCCSHOL-DGCLKSJQSA-N 1 0 349.412 2.245 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)NCCC2(C[NH3+])CC2)cc1SC ZINC000593914122 468431808 /nfs/dbraw/zinc/43/18/08/468431808.db2.gz IBKJALNIMXBZEQ-UHFFFAOYSA-N 1 0 339.417 2.184 10 5 EEBERO CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c1 ZINC000299194996 465643146 /nfs/dbraw/zinc/64/31/46/465643146.db2.gz MKCOFKACZSMILE-UHFFFAOYSA-N 1 0 343.387 2.153 10 5 EEBERO CC(C)[N@H+](C)CCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362513953 465795357 /nfs/dbraw/zinc/79/53/57/465795357.db2.gz XBXLMDKZTGBKNM-UHFFFAOYSA-N 1 0 329.347 2.262 10 5 EEBERO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340147275 465813694 /nfs/dbraw/zinc/81/36/94/465813694.db2.gz JXDGQRKWBOGESS-HNNXBMFYSA-N 1 0 342.399 2.314 10 5 EEBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000361378037 465948381 /nfs/dbraw/zinc/94/83/81/465948381.db2.gz PZKFIEMNOPPVEI-HNNXBMFYSA-N 1 0 342.399 2.209 10 5 EEBERO CC(C)CN(CC[NH+](C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362725321 465975404 /nfs/dbraw/zinc/97/54/04/465975404.db2.gz RZJXMQQHUOXGMC-UHFFFAOYSA-N 1 0 343.374 2.462 10 5 EEBERO C[C@@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000349157511 466000836 /nfs/dbraw/zinc/00/08/36/466000836.db2.gz YTOSZGRLBCZPME-BDJLRTHQSA-N 1 0 335.379 2.390 10 5 EEBERO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]21 ZINC000301684600 466008454 /nfs/dbraw/zinc/00/84/54/466008454.db2.gz WLYKPYDNDZNFJT-OLZOCXBDSA-N 1 0 331.294 2.133 10 5 EEBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000408098906 467508542 /nfs/dbraw/zinc/50/85/42/467508542.db2.gz IBSXEHKBYQUUOB-MGPQQGTHSA-N 1 0 344.419 2.479 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490476153 468214788 /nfs/dbraw/zinc/21/47/88/468214788.db2.gz IFHZRIYUFAZUDV-UHFFFAOYSA-N 1 0 343.449 2.091 10 5 EEBERO COc1ccc(CC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591893332 468553143 /nfs/dbraw/zinc/55/31/43/468553143.db2.gz VQDIFARSENAOGK-GJZGRUSLSA-N 1 0 347.415 2.137 10 5 EEBERO C[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594502347 468610030 /nfs/dbraw/zinc/61/00/30/468610030.db2.gz ZJDPZBVYUNYCKZ-RYUDHWBXSA-N 1 0 344.458 2.242 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)n1 ZINC000592139447 468633912 /nfs/dbraw/zinc/63/39/12/468633912.db2.gz DOGYGQNYMXXFFM-KRWDZBQOSA-N 1 0 344.415 2.455 10 5 EEBERO CCN1CC[NH+](C[C@H](C)CNc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000583470733 468701333 /nfs/dbraw/zinc/70/13/33/468701333.db2.gz AGEFZEHGHVLHKR-CQSZACIVSA-N 1 0 336.436 2.289 10 5 EEBERO CN(C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478422 468706173 /nfs/dbraw/zinc/70/61/73/468706173.db2.gz BBSVTPQSSLIUBU-RHSMWYFYSA-N 1 0 346.431 2.022 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000601131424 468755137 /nfs/dbraw/zinc/75/51/37/468755137.db2.gz KBPPLOSGJVVXCN-UWVGGRQHSA-N 1 0 347.341 2.268 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000598159555 468781277 /nfs/dbraw/zinc/78/12/77/468781277.db2.gz IZQHEWFIIRJOIM-UHFFFAOYSA-N 1 0 340.383 2.290 10 5 EEBERO Cn1c(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000592879641 468813410 /nfs/dbraw/zinc/81/34/10/468813410.db2.gz AJOKMMHOCLDQTI-CABCVRRESA-N 1 0 342.399 2.009 10 5 EEBERO C[N@@H+]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000592879765 468813826 /nfs/dbraw/zinc/81/38/26/468813826.db2.gz CLSZOKOCQSNZFN-ZBFHGGJFSA-N 1 0 340.383 2.065 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CN(c2ccncn2)C1)C1CC1 ZINC000601304277 468819389 /nfs/dbraw/zinc/81/93/89/468819389.db2.gz PCOUXXAKGDKFTF-MRXNPFEDSA-N 1 0 339.399 2.184 10 5 EEBERO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000598341578 468836684 /nfs/dbraw/zinc/83/66/84/468836684.db2.gz CMQMMIBMTMTALV-NSHDSACASA-N 1 0 343.330 2.410 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119129 468878327 /nfs/dbraw/zinc/87/83/27/468878327.db2.gz UTEQTHDDBHSTKE-SMDDNHRTSA-N 1 0 328.315 2.066 10 5 EEBERO Cc1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000598542652 468907765 /nfs/dbraw/zinc/90/77/65/468907765.db2.gz ZRXRCTZSJDRHOG-MRXNPFEDSA-N 1 0 335.404 2.086 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CC2(F)F)cc1 ZINC000598730592 468977853 /nfs/dbraw/zinc/97/78/53/468977853.db2.gz WSNVSMSSMLRLAA-SNVBAGLBSA-N 1 0 334.344 2.003 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595749954 468986258 /nfs/dbraw/zinc/98/62/58/468986258.db2.gz IVPITKYRXJPZRX-SFHVURJKSA-N 1 0 347.415 2.469 10 5 EEBERO CCC1([NH+]2CCCC2)CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000601745462 469002181 /nfs/dbraw/zinc/00/21/81/469002181.db2.gz WYTQDLYMZCGAON-UHFFFAOYSA-N 1 0 349.435 2.048 10 5 EEBERO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000595848200 469041791 /nfs/dbraw/zinc/04/17/91/469041791.db2.gz FJFVMHSIXQURRH-BETUJISGSA-N 1 0 349.387 2.115 10 5 EEBERO COCC1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000595910943 469078237 /nfs/dbraw/zinc/07/82/37/469078237.db2.gz URRKOWOLHINLKD-CQSZACIVSA-N 1 0 338.404 2.273 10 5 EEBERO CCn1c(CC[NH3+])nnc1Sc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599057555 469102602 /nfs/dbraw/zinc/10/26/02/469102602.db2.gz YURPHPFKFAQEAM-UHFFFAOYSA-N 1 0 344.400 2.407 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000602828906 469103886 /nfs/dbraw/zinc/10/38/86/469103886.db2.gz SYVNAUZZHVJMKW-ARLBYUKCSA-N 1 0 336.436 2.361 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ncc([N+](=O)[O-])cc2C)cc1 ZINC000599138793 469133964 /nfs/dbraw/zinc/13/39/64/469133964.db2.gz FVZBRGQADZFTKH-OAHLLOKOSA-N 1 0 342.399 2.993 10 5 EEBERO C[C@]1(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000596125238 469167255 /nfs/dbraw/zinc/16/72/55/469167255.db2.gz NBVISTHZTMGJSZ-LBPRGKRZSA-N 1 0 343.181 2.231 10 5 EEBERO C[N@H+](CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000574073471 469256571 /nfs/dbraw/zinc/25/65/71/469256571.db2.gz PICUOXFASVNIPK-UHFFFAOYSA-N 1 0 345.403 2.012 10 5 EEBERO O=[N+]([O-])c1ccc2ccnc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000596537561 469296545 /nfs/dbraw/zinc/29/65/45/469296545.db2.gz HPMWPIOUTAPHTJ-MRXNPFEDSA-N 1 0 342.399 2.178 10 5 EEBERO C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000596552182 469299312 /nfs/dbraw/zinc/29/93/12/469299312.db2.gz SNTCZAXEGMPFAV-QGZVFWFLSA-N 1 0 341.415 2.218 10 5 EEBERO C[C@@H](CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000596600582 469310141 /nfs/dbraw/zinc/31/01/41/469310141.db2.gz IPOVYFKEJYUHMD-LBPRGKRZSA-N 1 0 347.419 2.258 10 5 EEBERO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000602594511 469376908 /nfs/dbraw/zinc/37/69/08/469376908.db2.gz QLDIBYCOKSJLLG-WPRPVWTQSA-N 1 0 342.193 2.024 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152724583 528595018 /nfs/dbraw/zinc/59/50/18/528595018.db2.gz WTSZUAPFRDESHG-ZIAGYGMSSA-N 1 0 337.420 2.365 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180589842 528597284 /nfs/dbraw/zinc/59/72/84/528597284.db2.gz YWSYZZBFHVZWSQ-DGCLKSJQSA-N 1 0 331.376 2.251 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000174533481 529097558 /nfs/dbraw/zinc/09/75/58/529097558.db2.gz UAYFRDPUKBCUNY-JTQLQIEISA-N 1 0 327.331 2.429 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000776272765 577456121 /nfs/dbraw/zinc/45/61/21/577456121.db2.gz VZPAVDCGLYLXKD-GJZGRUSLSA-N 1 0 330.340 2.058 10 5 EEBERO COC(=O)[C@@H]1[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1(F)F ZINC000894850720 683192642 /nfs/dbraw/zinc/19/26/42/683192642.db2.gz NGHJWTGGGMMLEN-PWSUYJOCSA-N 1 0 328.315 2.474 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000928448815 683197121 /nfs/dbraw/zinc/19/71/21/683197121.db2.gz OTHRJRAXXRDTFE-UFBFGSQYSA-N 1 0 342.193 2.180 10 5 EEBERO CC[N@H+](CCNC(=O)c1nc(C)oc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001691045054 1177017286 /nfs/dbraw/zinc/01/72/86/1177017286.db2.gz QRSGUBQTKVTXQB-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C)CCOCC1 ZINC001267441085 1179016816 /nfs/dbraw/zinc/01/68/16/1179016816.db2.gz KZTUIEXSHMPYLB-UHFFFAOYSA-N 1 0 341.433 2.021 10 5 EEBERO CN(CC[NH2+]CCc1ccc2ccccc2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481229472 1180359880 /nfs/dbraw/zinc/35/98/80/1180359880.db2.gz QIFUEWGUGZGVHC-QZTJIDSGSA-N 1 0 341.411 2.096 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001670772670 1181179831 /nfs/dbraw/zinc/17/98/31/1181179831.db2.gz YSPUUKLPSYRSTG-BQYQJAHWSA-N 1 0 340.383 2.375 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cc(F)c[nH]1 ZINC001482940407 1187864447 /nfs/dbraw/zinc/86/44/47/1187864447.db2.gz SMQWEWQOADLMJG-UHFFFAOYSA-N 1 0 340.380 2.375 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC001482998773 1187978106 /nfs/dbraw/zinc/97/81/06/1187978106.db2.gz RIYQMOHWOGUIQB-UPHRSURJSA-N 1 0 339.342 2.402 10 5 EEBERO CCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCN(C(=O)COC)CC1 ZINC001484804022 1191525198 /nfs/dbraw/zinc/52/51/98/1191525198.db2.gz HTBGZADVINZVHS-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCc1cccnc1 ZINC001493618349 1197117824 /nfs/dbraw/zinc/11/78/24/1197117824.db2.gz IBEQJEKVWIVGON-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1 ZINC001133153686 1200508001 /nfs/dbraw/zinc/50/80/01/1200508001.db2.gz NKLUCVFNXDBPPA-ZDUSSCGKSA-N 1 0 341.371 2.044 10 5 EEBERO CN(CC[NH+]1CC2(C1)CCOCC2)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000866257815 1201477426 /nfs/dbraw/zinc/47/74/26/1201477426.db2.gz MLBJXTRUILWRME-UHFFFAOYSA-N 1 0 345.403 2.020 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000868210290 1201765317 /nfs/dbraw/zinc/76/53/17/1201765317.db2.gz KBDVYCHTAYPLBF-CABCVRRESA-N 1 0 332.404 2.329 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777798566 1206487615 /nfs/dbraw/zinc/48/76/15/1206487615.db2.gz CHHZXIMDHUTQLE-JTQLQIEISA-N 1 0 349.416 2.204 10 5 EEBERO O=[N+]([O-])CC[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000930555420 1206566855 /nfs/dbraw/zinc/56/68/55/1206566855.db2.gz UQWBYUDKBAJPMH-MAUKXSAKSA-N 1 0 346.358 2.443 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2c3ccccc3OC[C@H]2CO)cc1 ZINC000934217768 1207924906 /nfs/dbraw/zinc/92/49/06/1207924906.db2.gz QGQFVWBVJYAGDD-FZKQIMNGSA-N 1 0 344.367 2.305 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078651000 1210379991 /nfs/dbraw/zinc/37/99/91/1210379991.db2.gz QGUTXBRDSVVQQX-LBPRGKRZSA-N 1 0 341.795 2.089 10 5 EEBERO CN1C[C@H](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000903215627 1240028508 /nfs/dbraw/zinc/02/85/08/1240028508.db2.gz MBFKJIGXOQUZBS-CJNGLKHVSA-N 1 0 331.416 2.374 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903345998 1240282426 /nfs/dbraw/zinc/28/24/26/1240282426.db2.gz IMKZAFGQZVXOFR-OAHLLOKOSA-N 1 0 332.400 2.493 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000903529403 1240814783 /nfs/dbraw/zinc/81/47/83/1240814783.db2.gz BDKODRQXPKJLBQ-AWEZNQCLSA-N 1 0 334.420 2.306 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000803859835 1242104521 /nfs/dbraw/zinc/10/45/21/1242104521.db2.gz XHHRHBXLGNGKFN-CQSZACIVSA-N 1 0 349.387 2.001 10 5 EEBERO O=C(N[C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001491017203 1258574306 /nfs/dbraw/zinc/57/43/06/1258574306.db2.gz DVHHHLHSHVYJLW-SDDRIOSUSA-N 1 0 349.818 2.255 10 5 EEBERO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000850485061 1277243118 /nfs/dbraw/zinc/24/31/18/1277243118.db2.gz WTMWLQGRMJNPMK-KSSFIOAISA-N 1 0 349.431 2.205 10 5 EEBERO CCOCC(=O)N1CCC(CC)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001273735950 1284448121 /nfs/dbraw/zinc/44/81/21/1284448121.db2.gz JXLUTJRYIUPYJV-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO CC(C)(O)[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001197494089 1284660700 /nfs/dbraw/zinc/66/07/00/1284660700.db2.gz BZTVSZUIACGIKO-LBPRGKRZSA-N 1 0 332.360 2.238 10 5 EEBERO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000858471456 1294126316 /nfs/dbraw/zinc/12/63/16/1294126316.db2.gz CQNJIFXBQGPRHQ-IHRRRGAJSA-N 1 0 334.376 2.126 10 5 EEBERO O=C1OC[C@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]12 ZINC000862545383 1295874854 /nfs/dbraw/zinc/87/48/54/1295874854.db2.gz RGPAIJKHUOSOED-IUODEOHRSA-N 1 0 328.324 2.460 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926943545 1296965254 /nfs/dbraw/zinc/96/52/54/1296965254.db2.gz WGTYUBSJPJUFNW-OEUWWYETSA-N 1 0 345.399 2.493 10 5 EEBERO CC[NH+](CC)CCC[C@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001142016797 1315421228 /nfs/dbraw/zinc/42/12/28/1315421228.db2.gz PMVPOJIPZQFJNE-VIFPVBQESA-N 1 0 331.804 2.212 10 5 EEBERO COc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001123425452 1310563770 /nfs/dbraw/zinc/56/37/70/1310563770.db2.gz KSEOFQGEDFMIGV-CYZMBNFOSA-N 1 0 334.376 2.065 10 5 EEBERO CC[C@@H]1[C@H](CO)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839610599 1315219837 /nfs/dbraw/zinc/21/98/37/1315219837.db2.gz OYGIRJKRZGAGGR-GXFFZTMASA-N 1 0 341.795 2.280 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001160555682 1320195757 /nfs/dbraw/zinc/19/57/57/1320195757.db2.gz IFCJBCACQGSLFC-UHFFFAOYSA-N 1 0 347.375 2.004 10 5 EEBERO O=C(CC1CC1)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001327617603 1334323168 /nfs/dbraw/zinc/32/31/68/1334323168.db2.gz WTRDYIQBVRPSMA-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000848024286 1338455263 /nfs/dbraw/zinc/45/52/63/1338455263.db2.gz GLUGFYTYTFNYKP-LLVKDONJSA-N 1 0 343.811 2.071 10 5 EEBERO Nc1c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC001542337486 1342328330 /nfs/dbraw/zinc/32/83/30/1342328330.db2.gz DUDLHXJYVRIQRW-LBPRGKRZSA-N 1 0 340.383 2.297 10 5 EEBERO Cc1ccncc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001567477508 1342767114 /nfs/dbraw/zinc/76/71/14/1342767114.db2.gz KTWSMHOUSUTTFH-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO Cc1[nH]ccc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001569394632 1342863977 /nfs/dbraw/zinc/86/39/77/1342863977.db2.gz NBWZQCUSYZXZEK-UHFFFAOYSA-N 1 0 328.372 2.284 10 5 EEBERO Nc1cc(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)cc[nH+]1 ZINC001649193365 1352401977 /nfs/dbraw/zinc/40/19/77/1352401977.db2.gz FCCZOYHHSPVZIG-UHFFFAOYSA-N 1 0 332.335 2.464 10 5 EEBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001627002976 1352480439 /nfs/dbraw/zinc/48/04/39/1352480439.db2.gz SSXBXKZBWBOHJY-NSHDSACASA-N 1 0 340.811 2.435 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001629064706 1352548225 /nfs/dbraw/zinc/54/82/25/1352548225.db2.gz HRCYFCWOTJBVKK-CYBMUJFWSA-N 1 0 332.404 2.171 10 5 EEBERO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001629799307 1352558552 /nfs/dbraw/zinc/55/85/52/1352558552.db2.gz VDVBOPQSIUFLFL-UHFFFAOYSA-N 1 0 348.325 2.412 10 5 EEBERO Cc1cc([N+](=O)[O-])c(C(=O)NCCNc2cc[nH+]cc2)cc1Cl ZINC001650725003 1354028033 /nfs/dbraw/zinc/02/80/33/1354028033.db2.gz ONXROVRKMSHRDT-UHFFFAOYSA-N 1 0 334.763 2.215 10 5 EEBERO O=[N+]([O-])c1cccc(CN2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001660591683 1354496056 /nfs/dbraw/zinc/49/60/56/1354496056.db2.gz GWEXOUGPOVPVPX-UHFFFAOYSA-N 1 0 333.432 2.408 10 5 EEBERO C/C=C(/C)C(=O)N1CCC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001674066416 1356783058 /nfs/dbraw/zinc/78/30/58/1356783058.db2.gz NPEMFMYBGMRYDS-BNNQUZSASA-N 1 0 347.415 2.004 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1cn[nH]c1 ZINC001698794707 1405071172 /nfs/dbraw/zinc/07/11/72/1405071172.db2.gz IXMCKFOQKRZEDQ-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1 ZINC000918393414 769075149 /nfs/dbraw/zinc/07/51/49/769075149.db2.gz FLPDBAVHMPHYBZ-AWEZNQCLSA-N 1 0 346.431 2.409 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000846719360 790456313 /nfs/dbraw/zinc/45/63/13/790456313.db2.gz WLUDQRHWQKLIPU-UHFFFAOYSA-N 1 0 341.795 2.089 10 5 EEBERO [NH3+]C[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C(F)(F)F ZINC000923399519 789498793 /nfs/dbraw/zinc/49/87/93/789498793.db2.gz DNDXKGNGNZSVMH-YUTCNCBUSA-N 1 0 347.337 2.230 10 5 EEBERO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000913659259 794039668 /nfs/dbraw/zinc/03/96/68/794039668.db2.gz GPSJNHSXLIWXEO-KSSFIOAISA-N 1 0 349.431 2.041 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001546027402 1095463669 /nfs/dbraw/zinc/46/36/69/1095463669.db2.gz YARYVVSXKQDRHM-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO C[N@H+](CCCNC(=O)C(=O)C(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001479762133 1098923835 /nfs/dbraw/zinc/92/38/35/1098923835.db2.gz IVNIJVXWQCOVDC-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO C[C@H](c1ccncc1)[NH+]1CCC(Nc2nn(C)cc2[N+](=O)[O-])CC1 ZINC001458270408 1109851680 /nfs/dbraw/zinc/85/16/80/1109851680.db2.gz SSQZMIDWCZOUNO-GFCCVEGCSA-N 1 0 330.392 2.361 10 5 EEBERO COc1ccc(CC(=O)Nc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001472133605 1110546769 /nfs/dbraw/zinc/54/67/69/1110546769.db2.gz IGOAEOIARLJCPK-UHFFFAOYSA-N 1 0 326.312 2.432 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C)CC[NH2+]2)c1 ZINC001472906341 1110565693 /nfs/dbraw/zinc/56/56/93/1110565693.db2.gz HCZAWKIVHXQOLZ-OAHLLOKOSA-N 1 0 342.399 2.328 10 5 EEBERO CC(C)[NH+]1CCC(C(=O)NCCN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001478264515 1110651968 /nfs/dbraw/zinc/65/19/68/1110651968.db2.gz DHDGASMKCBIMNN-UHFFFAOYSA-N 1 0 348.447 2.268 10 5 EEBERO C[C@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001479306523 1110678707 /nfs/dbraw/zinc/67/87/07/1110678707.db2.gz SVRKICMSXYPWAK-QEORTHHSSA-N 1 0 332.404 2.249 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1CCOCC1 ZINC001502152479 1113618373 /nfs/dbraw/zinc/61/83/73/1113618373.db2.gz ILJOGGMKBXAJIE-UHFFFAOYSA-N 1 0 349.431 2.302 10 5 EEBERO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1F ZINC001521763429 1119274767 /nfs/dbraw/zinc/27/47/67/1119274767.db2.gz ZNWDCAUMHCMQKU-FGWVZKOKSA-N 1 0 337.351 2.098 10 5 EEBERO COc1cc(C(=O)NCc2ccc3c[nH+]cn3c2)cc([N+](=O)[O-])c1C ZINC001524865580 1120235738 /nfs/dbraw/zinc/23/57/38/1120235738.db2.gz GPPWEZKQVXNXAC-UHFFFAOYSA-N 1 0 340.339 2.490 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001542347163 1124112586 /nfs/dbraw/zinc/11/25/86/1124112586.db2.gz VMACMHGRMJPEFP-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1nocc1C ZINC001568789239 1124801757 /nfs/dbraw/zinc/80/17/57/1124801757.db2.gz OOBZONCTOKBCCD-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000104139720 219352001 /nfs/dbraw/zinc/35/20/01/219352001.db2.gz WSEODSSUOINYFU-JTQLQIEISA-N 1 0 329.198 2.283 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000191578972 239196482 /nfs/dbraw/zinc/19/64/82/239196482.db2.gz KKVBBPJLDKBTBZ-UHFFFAOYSA-N 1 0 349.435 2.149 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2sccc2Cl)cc1 ZINC000193107687 240023533 /nfs/dbraw/zinc/02/35/33/240023533.db2.gz NFSAHACSLCCGFK-JSGCOSHPSA-N 1 0 342.804 2.494 10 5 EEBERO COC(=O)c1cc(C)nc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376260459 284525708 /nfs/dbraw/zinc/52/57/08/284525708.db2.gz OFSWXZGGFQOPCL-STQMWFEESA-N 1 0 348.403 2.148 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000266222711 248185332 /nfs/dbraw/zinc/18/53/32/248185332.db2.gz IBIJZUFLAWIVQL-OCCSQVGLSA-N 1 0 334.420 2.121 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113269557 220507113 /nfs/dbraw/zinc/50/71/13/220507113.db2.gz NVNXHVOZHUHUJR-GOEBONIOSA-N 1 0 346.431 2.400 10 5 EEBERO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(N)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000273030827 256259079 /nfs/dbraw/zinc/25/90/79/256259079.db2.gz UYJRRWULNOZOOR-RYUDHWBXSA-N 1 0 347.419 2.154 10 5 EEBERO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559616 159197974 /nfs/dbraw/zinc/19/79/74/159197974.db2.gz SUSDKPUWSFWSHI-GUYCJALGSA-N 1 0 343.383 2.081 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000342004366 161031477 /nfs/dbraw/zinc/03/14/77/161031477.db2.gz YEJBWJNPZKDRBY-SUMWQHHRSA-N 1 0 333.388 2.424 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](CO)c1ccsc1 ZINC000352022971 162032990 /nfs/dbraw/zinc/03/29/90/162032990.db2.gz SNAFDJKYXREUEU-CQSZACIVSA-N 1 0 335.385 2.226 10 5 EEBERO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000278382114 269228304 /nfs/dbraw/zinc/22/83/04/269228304.db2.gz UKAYVEVAULUSRU-JKIFEVAISA-N 1 0 338.404 2.002 10 5 EEBERO COc1cc(N2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000268239718 274096479 /nfs/dbraw/zinc/09/64/79/274096479.db2.gz XCUSQQMNUWMSER-UHFFFAOYSA-N 1 0 339.367 2.044 10 5 EEBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000348528601 279473334 /nfs/dbraw/zinc/47/33/34/279473334.db2.gz BICATBRJSAYFQT-ZJNRKIDTSA-N 1 0 343.383 2.299 10 5 EEBERO COC(=O)C1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000295052090 311543219 /nfs/dbraw/zinc/54/32/19/311543219.db2.gz OQKZUOUQDYXIOO-UHFFFAOYSA-N 1 0 334.372 2.391 10 5 EEBERO Cc1cc(NC[C@H]2C[NH2+]CCCO2)c(Br)cc1[N+](=O)[O-] ZINC000390269477 312438914 /nfs/dbraw/zinc/43/89/14/312438914.db2.gz XWCCMIDSPZATHU-SNVBAGLBSA-N 1 0 344.209 2.456 10 5 EEBERO [NH3+]C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415707410 313170194 /nfs/dbraw/zinc/17/01/94/313170194.db2.gz VZDOKLHMZNZZPA-MRVPVSSYSA-N 1 0 343.181 2.170 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417707267 313572570 /nfs/dbraw/zinc/57/25/70/313572570.db2.gz AQSCCUIWCVJAFE-CJNGLKHVSA-N 1 0 334.420 2.215 10 5 EEBERO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531634231 317809809 /nfs/dbraw/zinc/80/98/09/317809809.db2.gz ZIXPLWRVTVTLOJ-UHFFFAOYSA-N 1 0 334.401 2.255 10 5 EEBERO COc1ccc(CNC(=O)CCN(C)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000541855503 318112016 /nfs/dbraw/zinc/11/20/16/318112016.db2.gz FIVTXRSOXQWKSH-UHFFFAOYSA-N 1 0 344.371 2.141 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000565231045 319164954 /nfs/dbraw/zinc/16/49/54/319164954.db2.gz YVQLEUYPAQFVRL-LSDHHAIUSA-N 1 0 348.447 2.066 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567821228 319423092 /nfs/dbraw/zinc/42/30/92/319423092.db2.gz XAWIMOANUHQNOK-QGZVFWFLSA-N 1 0 340.383 2.363 10 5 EEBERO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000576846828 320209784 /nfs/dbraw/zinc/20/97/84/320209784.db2.gz TUWFHTJKHQYJBK-MRXNPFEDSA-N 1 0 344.371 2.031 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000347453833 465030626 /nfs/dbraw/zinc/03/06/26/465030626.db2.gz MPJQWXDINNRADH-CQSZACIVSA-N 1 0 333.388 2.048 10 5 EEBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000358698691 465271739 /nfs/dbraw/zinc/27/17/39/465271739.db2.gz MBDLZUDOKBKFNR-JQWIXIFHSA-N 1 0 341.795 2.226 10 5 EEBERO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000049128869 462955769 /nfs/dbraw/zinc/95/57/69/462955769.db2.gz BUGMEJDEDWARND-PSASIEDQSA-N 1 0 330.797 2.218 10 5 EEBERO COc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000109818965 463650788 /nfs/dbraw/zinc/65/07/88/463650788.db2.gz QLEZEJJDBKLBHS-INIZCTEOSA-N 1 0 349.431 2.290 10 5 EEBERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000110560535 463659662 /nfs/dbraw/zinc/65/96/62/463659662.db2.gz XCKFZYVINOASLR-LBPRGKRZSA-N 1 0 338.364 2.050 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H](C)C2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000287109974 463803342 /nfs/dbraw/zinc/80/33/42/463803342.db2.gz ZOKCZGKKZARCGI-NSHDSACASA-N 1 0 334.376 2.147 10 5 EEBERO CC(C)OC[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000579583356 468379160 /nfs/dbraw/zinc/37/91/60/468379160.db2.gz PLQYGCTZPDLDJP-ZDUSSCGKSA-N 1 0 336.310 2.489 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000194450621 463865171 /nfs/dbraw/zinc/86/51/71/463865171.db2.gz XDLMZROEAQHNOQ-TZMCWYRMSA-N 1 0 335.404 2.406 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000172114112 463991301 /nfs/dbraw/zinc/99/13/01/463991301.db2.gz NKEGZEVCGZQPQR-UHFFFAOYSA-N 1 0 337.807 2.487 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000172347186 464059874 /nfs/dbraw/zinc/05/98/74/464059874.db2.gz XGXABIYXZZFDKD-ZDUSSCGKSA-N 1 0 332.404 2.092 10 5 EEBERO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000284068335 464080018 /nfs/dbraw/zinc/08/00/18/464080018.db2.gz QIYSIAYZEXPEIL-SMDDNHRTSA-N 1 0 330.812 2.496 10 5 EEBERO NC(=O)c1coc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000187731612 464156278 /nfs/dbraw/zinc/15/62/78/464156278.db2.gz IEFUSBPGBWKGNH-OAHLLOKOSA-N 1 0 329.356 2.398 10 5 EEBERO C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000351923443 465445210 /nfs/dbraw/zinc/44/52/10/465445210.db2.gz WCHJLCMSZWOPRG-QMMMGPOBSA-N 1 0 345.197 2.429 10 5 EEBERO CC[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000270923055 464271934 /nfs/dbraw/zinc/27/19/34/464271934.db2.gz JLHCRFVYBNXWKA-CZUORRHYSA-N 1 0 335.404 2.130 10 5 EEBERO Cn1cc(C[N@H+](C)CC2(CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188958613 464403760 /nfs/dbraw/zinc/40/37/60/464403760.db2.gz VUMQORGECVINGX-UHFFFAOYSA-N 1 0 330.388 2.200 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000175007358 464479532 /nfs/dbraw/zinc/47/95/32/464479532.db2.gz RQXNUSHSVLUMER-GXTWGEPZSA-N 1 0 333.388 2.302 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295143392 464721558 /nfs/dbraw/zinc/72/15/58/464721558.db2.gz CLVVEEOHRCNBJZ-IINYFYTJSA-N 1 0 337.376 2.088 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)n1 ZINC000176228826 464725785 /nfs/dbraw/zinc/72/57/85/464725785.db2.gz GZGBKFFZNJJXQX-ZDUSSCGKSA-N 1 0 330.344 2.357 10 5 EEBERO C[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000599935872 468417185 /nfs/dbraw/zinc/41/71/85/468417185.db2.gz ZHMCPHOKMYAHGH-GXTWGEPZSA-N 1 0 332.404 2.409 10 5 EEBERO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295193063 464740643 /nfs/dbraw/zinc/74/06/43/464740643.db2.gz JQLPWEOCQFIDSF-CQSZACIVSA-N 1 0 337.376 2.089 10 5 EEBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000183201199 464820496 /nfs/dbraw/zinc/82/04/96/464820496.db2.gz KKFQBIASMVPOCI-RNCFNFMXSA-N 1 0 327.768 2.344 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298744224 465490562 /nfs/dbraw/zinc/49/05/62/465490562.db2.gz YBYRCUWACHUYII-GFCCVEGCSA-N 1 0 335.408 2.155 10 5 EEBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192541766 464944712 /nfs/dbraw/zinc/94/47/12/464944712.db2.gz SMDRJAVOPXIQLN-ZDUSSCGKSA-N 1 0 333.417 2.405 10 5 EEBERO C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)[C@H]1C[NH3+] ZINC000252185344 464954716 /nfs/dbraw/zinc/95/47/16/464954716.db2.gz QSNURUHVVYMACT-KWQFWETISA-N 1 0 329.198 2.316 10 5 EEBERO COCC[N@@H+]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000569098766 468438142 /nfs/dbraw/zinc/43/81/42/468438142.db2.gz NCLUSZQKVJUMKJ-UHFFFAOYSA-N 1 0 334.420 2.027 10 5 EEBERO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000371235939 465660622 /nfs/dbraw/zinc/66/06/22/465660622.db2.gz NATCUUCBHLTKJR-HUUCEWRRSA-N 1 0 346.431 2.022 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000362455676 465754418 /nfs/dbraw/zinc/75/44/18/465754418.db2.gz SSUSZOVUHPOFOB-CZUORRHYSA-N 1 0 333.388 2.059 10 5 EEBERO CC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000300101722 465890599 /nfs/dbraw/zinc/89/05/99/465890599.db2.gz WMEPSFGXWLUJMM-PSASIEDQSA-N 1 0 329.198 2.316 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nn21 ZINC000301947216 466065422 /nfs/dbraw/zinc/06/54/22/466065422.db2.gz HOARCSRNTKKOQW-OCCSQVGLSA-N 1 0 342.403 2.091 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]([NH+]4CCCC4)CC3)nn21 ZINC000301990770 466073266 /nfs/dbraw/zinc/07/32/66/466073266.db2.gz MJUAVTAAGJYLMU-CYBMUJFWSA-N 1 0 330.392 2.092 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000363224345 466291773 /nfs/dbraw/zinc/29/17/73/466291773.db2.gz WJRYSFQOOOVOSS-ABUXHAGHSA-N 1 0 333.388 2.015 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354552951 466639065 /nfs/dbraw/zinc/63/90/65/466639065.db2.gz NRCDREGAHRFZNQ-UHFFFAOYSA-N 1 0 335.404 2.212 10 5 EEBERO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000372931558 466641261 /nfs/dbraw/zinc/64/12/61/466641261.db2.gz WMPIMKLAOAHAPG-GJZGRUSLSA-N 1 0 336.388 2.446 10 5 EEBERO CC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373804567 466924940 /nfs/dbraw/zinc/92/49/40/466924940.db2.gz JNFBNKGCDKVCCH-RDJZCZTQSA-N 1 0 336.388 2.244 10 5 EEBERO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)C[NH3+] ZINC000423983358 466936674 /nfs/dbraw/zinc/93/66/74/466936674.db2.gz MKEGIAIWHXIBFP-MEBBXXQBSA-N 1 0 325.796 2.234 10 5 EEBERO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000378382363 467286368 /nfs/dbraw/zinc/28/63/68/467286368.db2.gz XMNYYICLKYAMSA-UHFFFAOYSA-N 1 0 341.371 2.031 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000430244801 467411391 /nfs/dbraw/zinc/41/13/91/467411391.db2.gz YELDGNSWYFEKEB-OAHLLOKOSA-N 1 0 347.415 2.438 10 5 EEBERO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594591757 468629885 /nfs/dbraw/zinc/62/98/85/468629885.db2.gz JKDFNFJZEXMFKL-TXEJJXNPSA-N 1 0 330.388 2.326 10 5 EEBERO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592606 468629963 /nfs/dbraw/zinc/62/99/63/468629963.db2.gz SVSVQMHJGVTBLX-MELADBBJSA-N 1 0 344.415 3.053 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000601125846 468751954 /nfs/dbraw/zinc/75/19/54/468751954.db2.gz VVKNGCYUPFMPAU-UHFFFAOYSA-N 1 0 338.383 2.210 10 5 EEBERO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[N@@H+]1C1CC1 ZINC000601127651 468753261 /nfs/dbraw/zinc/75/32/61/468753261.db2.gz MLQAHIHCABZGAU-HTQZYQBOSA-N 1 0 333.314 2.384 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000595381117 468832125 /nfs/dbraw/zinc/83/21/25/468832125.db2.gz JIFXMVWRMRTAKF-UHFFFAOYSA-N 1 0 347.412 2.133 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000593030104 468845920 /nfs/dbraw/zinc/84/59/20/468845920.db2.gz KIXNVJCUVGGKJX-IMJJTQAJSA-N 1 0 346.383 2.429 10 5 EEBERO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598535564 468904771 /nfs/dbraw/zinc/90/47/71/468904771.db2.gz GQHRQFGZKHHPQM-MRXNPFEDSA-N 1 0 347.415 2.310 10 5 EEBERO O=C(N1CC[C@H]2C[NH2+]C[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601555501 468916852 /nfs/dbraw/zinc/91/68/52/468916852.db2.gz MZUFKEIXJLCYEI-KBPBESRZSA-N 1 0 329.400 2.084 10 5 EEBERO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000595615344 468923836 /nfs/dbraw/zinc/92/38/36/468923836.db2.gz LWRJXLZDMZTKPR-HNNXBMFYSA-N 1 0 334.376 2.002 10 5 EEBERO CCCC[NH+]1CCC(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598590202 468925535 /nfs/dbraw/zinc/92/55/35/468925535.db2.gz MCZKGXWUHKLUTF-UHFFFAOYSA-N 1 0 336.392 2.453 10 5 EEBERO O=C(CC[N@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595752590 468988568 /nfs/dbraw/zinc/98/85/68/468988568.db2.gz UNGDULKJLRHLPH-KRWDZBQOSA-N 1 0 333.388 2.160 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595761473 468993442 /nfs/dbraw/zinc/99/34/42/468993442.db2.gz WYQPWWHEEXWBTF-GUYCJALGSA-N 1 0 333.388 2.200 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4COC[C@H]4C3)n2)c1 ZINC000595835820 469032756 /nfs/dbraw/zinc/03/27/56/469032756.db2.gz VSMVUKQRUPZESH-QWHCGFSZSA-N 1 0 330.344 2.113 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572991983 469038199 /nfs/dbraw/zinc/03/81/99/469038199.db2.gz KNJUQOKDCWOTSQ-QGZVFWFLSA-N 1 0 333.388 2.209 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864212 469052236 /nfs/dbraw/zinc/05/22/36/469052236.db2.gz RCHOESSWUJBTIG-WMLDXEAASA-N 1 0 333.432 2.495 10 5 EEBERO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000610733162 469054078 /nfs/dbraw/zinc/05/40/78/469054078.db2.gz ZXKCZLQKGCMZFA-HNNXBMFYSA-N 1 0 347.415 2.312 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1(CO)CCC1 ZINC000593692182 469097317 /nfs/dbraw/zinc/09/73/17/469097317.db2.gz RPLXNOHPUOJGGY-CYBMUJFWSA-N 1 0 335.404 2.454 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000599066495 469105500 /nfs/dbraw/zinc/10/55/00/469105500.db2.gz QMBULNFIXKTQRC-IKICRFKJSA-N 1 0 334.416 2.436 10 5 EEBERO COc1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000599160148 469142287 /nfs/dbraw/zinc/14/22/87/469142287.db2.gz HOXNESQXIONBKB-UHFFFAOYSA-N 1 0 335.404 2.295 10 5 EEBERO COc1cccc(N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599160195 469142923 /nfs/dbraw/zinc/14/29/23/469142923.db2.gz IVUFHJGKOVFHSB-UHFFFAOYSA-N 1 0 335.404 2.295 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000611335051 469230415 /nfs/dbraw/zinc/23/04/15/469230415.db2.gz RDVSJVCGVIDOFX-UHFFFAOYSA-N 1 0 349.435 2.057 10 5 EEBERO Nc1nc(S[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000563440858 469240034 /nfs/dbraw/zinc/24/00/34/469240034.db2.gz NWPGEZUSNYZYLI-GFCCVEGCSA-N 1 0 331.401 2.334 10 5 EEBERO COC(=O)[C@](C)(NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599650282 469323938 /nfs/dbraw/zinc/32/39/38/469323938.db2.gz HDGLTKJJODBPLC-GOSISDBHSA-N 1 0 349.431 2.449 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000619284530 469569650 /nfs/dbraw/zinc/56/96/50/469569650.db2.gz ZYSHZGQSKGCHGK-UHFFFAOYSA-N 1 0 347.375 2.004 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@@H]2C1 ZINC000646914847 470774521 /nfs/dbraw/zinc/77/45/21/470774521.db2.gz DUPQCUDLWGLLCW-AUUYWEPGSA-N 1 0 347.418 2.457 10 5 EEBERO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494965509 534968650 /nfs/dbraw/zinc/96/86/50/534968650.db2.gz XYRARNKDWLBFFI-ZDUSSCGKSA-N 1 0 325.796 2.438 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000756888197 577852496 /nfs/dbraw/zinc/85/24/96/577852496.db2.gz OCRZXTSHMVEACI-IUODEOHRSA-N 1 0 331.376 2.106 10 5 EEBERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(I)cc1[N+](=O)[O-] ZINC000261548304 676306257 /nfs/dbraw/zinc/30/62/57/676306257.db2.gz JJBSLPMADIUUKM-VXNVDRBHSA-N 1 0 347.156 2.125 10 5 EEBERO CCn1ccc(C(=O)NCC[N@H+](CC)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001691043838 1177000216 /nfs/dbraw/zinc/00/02/16/1177000216.db2.gz ZSSHLVPFAUJCKE-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1O ZINC001266644147 1177045537 /nfs/dbraw/zinc/04/55/37/1177045537.db2.gz DKMZJLADEFMWQK-UHFFFAOYSA-N 1 0 329.356 2.162 10 5 EEBERO Cc1nscc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001691296516 1177846445 /nfs/dbraw/zinc/84/64/45/1177846445.db2.gz MMTAPKVKGGZTML-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO CC1(C)CC(C[NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001482042969 1183217099 /nfs/dbraw/zinc/21/70/99/1183217099.db2.gz PDMNSMKCPDSHMJ-HZPDHXFCSA-N 1 0 337.464 2.306 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCOCC1 ZINC001483458918 1190485559 /nfs/dbraw/zinc/48/55/59/1190485559.db2.gz VIZLHKYXACLPMG-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO Cc1nocc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001483489427 1190508654 /nfs/dbraw/zinc/50/86/54/1190508654.db2.gz YQXNGNYXFDCOJN-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO C[C@]12C[NH2+]C[C@H]1CN(c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000703607638 1196591374 /nfs/dbraw/zinc/59/13/74/1196591374.db2.gz KXYQSAAAEMNDBF-TVQRCGJNSA-N 1 0 326.194 2.403 10 5 EEBERO CCCN(CC[NH+](CC)CC)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001153871814 1198551467 /nfs/dbraw/zinc/55/14/67/1198551467.db2.gz GACBVGDMXWSPTP-UHFFFAOYSA-N 1 0 331.804 2.165 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000814146970 1199318402 /nfs/dbraw/zinc/31/84/02/1199318402.db2.gz VUUZMHSEVYXJHB-YMTOWFKASA-N 1 0 341.770 2.092 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000814146968 1199318542 /nfs/dbraw/zinc/31/85/42/1199318542.db2.gz VUUZMHSEVYXJHB-OTYXRUKQSA-N 1 0 341.770 2.092 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC001134125821 1199333554 /nfs/dbraw/zinc/33/35/54/1199333554.db2.gz ZEGCNBDTQUIXFP-MRXNPFEDSA-N 1 0 343.387 2.116 10 5 EEBERO CCOc1cc(C(=O)O[C@@H](CC)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000870554718 1200741122 /nfs/dbraw/zinc/74/11/22/1200741122.db2.gz MMJKTRKSDIYJKK-NSHDSACASA-N 1 0 340.376 2.499 10 5 EEBERO COc1cc(C(=O)O[C@@H](C[NH+](C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000870566345 1200745981 /nfs/dbraw/zinc/74/59/81/1200745981.db2.gz DNGOKIXDZNCDPE-AWEZNQCLSA-N 1 0 328.340 2.486 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[N@@H+]2C2CCCCCC2)n1 ZINC000870731768 1200838837 /nfs/dbraw/zinc/83/88/37/1200838837.db2.gz BMYSKVWHDYZVEZ-CYBMUJFWSA-N 1 0 336.392 2.282 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866721150 1201589354 /nfs/dbraw/zinc/58/93/54/1201589354.db2.gz KRMDQJXTKVWMCP-HOTGVXAUSA-N 1 0 332.404 2.058 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868157127 1201754481 /nfs/dbraw/zinc/75/44/81/1201754481.db2.gz ZILDLTDCARBQLR-JSGCOSHPSA-N 1 0 334.376 2.352 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887921034 1204507412 /nfs/dbraw/zinc/50/74/12/1204507412.db2.gz OWPOMDSKABGHKP-DYVFJYSZSA-N 1 0 335.379 2.077 10 5 EEBERO Cc1ocnc1C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001280793024 1205855567 /nfs/dbraw/zinc/85/55/67/1205855567.db2.gz GBVJULHPICTADU-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928456068 1206387268 /nfs/dbraw/zinc/38/72/68/1206387268.db2.gz LIUOKNYHJJUMSG-OCCSQVGLSA-N 1 0 332.404 2.017 10 5 EEBERO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000930208388 1206541440 /nfs/dbraw/zinc/54/14/40/1206541440.db2.gz OTSAJRJLGMXMSJ-OLZOCXBDSA-N 1 0 335.404 2.271 10 5 EEBERO C[NH+](C)C1(C)CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000931351442 1206625720 /nfs/dbraw/zinc/62/57/20/1206625720.db2.gz KLWFHPVPDUFCIU-UHFFFAOYSA-N 1 0 334.420 2.340 10 5 EEBERO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](CCCCCO)CC1 ZINC000931500942 1207398634 /nfs/dbraw/zinc/39/86/34/1207398634.db2.gz RPWSIXLWEGUIEL-UHFFFAOYSA-N 1 0 325.384 2.014 10 5 EEBERO Nc1cc[nH+]c2c1CN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000931509948 1207401309 /nfs/dbraw/zinc/40/13/09/1207401309.db2.gz CAXFXTASHVHWGT-UHFFFAOYSA-N 1 0 328.372 2.399 10 5 EEBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900646057 1234605077 /nfs/dbraw/zinc/60/50/77/1234605077.db2.gz HLGWNATWNMFPSP-CZUORRHYSA-N 1 0 333.388 2.107 10 5 EEBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900646055 1234605447 /nfs/dbraw/zinc/60/54/47/1234605447.db2.gz HLGWNATWNMFPSP-BBRMVZONSA-N 1 0 333.388 2.107 10 5 EEBERO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000850593315 1277276017 /nfs/dbraw/zinc/27/60/17/1277276017.db2.gz LVUKTDTZRQHIID-LLVKDONJSA-N 1 0 349.840 2.208 10 5 EEBERO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)CCOC)CC1 ZINC001273729344 1284281835 /nfs/dbraw/zinc/28/18/35/1284281835.db2.gz PHWUPLGOAPUHET-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000853990885 1292573274 /nfs/dbraw/zinc/57/32/74/1292573274.db2.gz XGUPSASYXGTGRF-GFCCVEGCSA-N 1 0 341.383 2.290 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOC2CCOCC2)n1 ZINC000927080519 1297010034 /nfs/dbraw/zinc/01/00/34/1297010034.db2.gz TXQVSDIFMGRZHZ-HUUCEWRRSA-N 1 0 338.408 2.060 10 5 EEBERO Cn1nccc1[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000927126065 1297027788 /nfs/dbraw/zinc/02/77/88/1297027788.db2.gz DBWMRUCJWWEDIE-GOEBONIOSA-N 1 0 330.388 2.374 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000927149560 1297038259 /nfs/dbraw/zinc/03/82/59/1297038259.db2.gz HIUDEAGNFVXCDL-OCCSQVGLSA-N 1 0 329.404 2.192 10 5 EEBERO C[NH+](C)CCOCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001137921979 1314519184 /nfs/dbraw/zinc/51/91/84/1314519184.db2.gz BKKVFPSGNRSYHW-UHFFFAOYSA-N 1 0 337.420 2.200 10 5 EEBERO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001152051958 1316626271 /nfs/dbraw/zinc/62/62/71/1316626271.db2.gz BCFDVFLEKKXEED-CYBMUJFWSA-N 1 0 347.419 2.099 10 5 EEBERO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)c1 ZINC001280480263 1324246361 /nfs/dbraw/zinc/24/63/61/1324246361.db2.gz HTWGXOIWMSFQFK-HZPDHXFCSA-N 1 0 331.416 2.097 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001304580434 1331389503 /nfs/dbraw/zinc/38/95/03/1331389503.db2.gz BUFLJFGSXLQLHK-LBPRGKRZSA-N 1 0 325.796 2.391 10 5 EEBERO C[N@H+](CCCNC(=O)c1ncccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001316856699 1331507326 /nfs/dbraw/zinc/50/73/26/1331507326.db2.gz VMBQJPJTQINDQM-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CC(C)c1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001321056282 1333007282 /nfs/dbraw/zinc/00/72/82/1333007282.db2.gz DIFOPQLPMSGUCK-NMBNSIPYSA-N 1 0 331.416 2.237 10 5 EEBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccncc1 ZINC001322381966 1333256535 /nfs/dbraw/zinc/25/65/35/1333256535.db2.gz KIPVFMLJYIHKSJ-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCCC2 ZINC001328119493 1334400486 /nfs/dbraw/zinc/40/04/86/1334400486.db2.gz MWGDMHNAAMMTAU-KBPBESRZSA-N 1 0 332.404 2.144 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001332868440 1335921991 /nfs/dbraw/zinc/92/19/91/1335921991.db2.gz XNGDKZNHQHDMBM-ZBFHGGJFSA-N 1 0 335.379 2.410 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)[C@H]2C1 ZINC001348309998 1337548516 /nfs/dbraw/zinc/54/85/16/1337548516.db2.gz GLCOERWQIBLUEE-JQFCIGGWSA-N 1 0 344.415 2.003 10 5 EEBERO Cn1cc([N+](=O)[O-])c(N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)n1 ZINC001612672304 1352310601 /nfs/dbraw/zinc/31/06/01/1352310601.db2.gz QVTXZMVZRIPJGJ-UHFFFAOYSA-N 1 0 341.415 2.312 10 5 EEBERO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001557728135 1342453642 /nfs/dbraw/zinc/45/36/42/1342453642.db2.gz UNLYIIBAMPUHAG-MRXNPFEDSA-N 1 0 343.358 2.391 10 5 EEBERO Nc1nccc2c1CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001557841673 1342458318 /nfs/dbraw/zinc/45/83/18/1342458318.db2.gz OATLAIRFNNZZCQ-UHFFFAOYSA-N 1 0 344.346 2.229 10 5 EEBERO CCC1(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001567581339 1342787460 /nfs/dbraw/zinc/78/74/60/1342787460.db2.gz DUORDOCVCRFGPH-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)n1 ZINC001586604598 1348852677 /nfs/dbraw/zinc/85/26/77/1348852677.db2.gz KOOZLEUIRYJDCV-HDICACEKSA-N 1 0 344.415 2.246 10 5 EEBERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2N)o1 ZINC001603073180 1350632478 /nfs/dbraw/zinc/63/24/78/1350632478.db2.gz SCELWIAMOUQWSR-UHFFFAOYSA-N 1 0 346.387 2.282 10 5 EEBERO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)c2ccccc2C1 ZINC001633177918 1352607185 /nfs/dbraw/zinc/60/71/85/1352607185.db2.gz QKQCHRPKNRPPFR-UHFFFAOYSA-N 1 0 326.356 2.269 10 5 EEBERO C[NH+](C)C1(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CCCC1 ZINC001640048672 1352705492 /nfs/dbraw/zinc/70/54/92/1352705492.db2.gz CEOWWLMTQWCHJI-UHFFFAOYSA-N 1 0 327.331 2.364 10 5 EEBERO COc1cc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])cc1OC ZINC001651590159 1354057416 /nfs/dbraw/zinc/05/74/16/1354057416.db2.gz OBBLCYCEHOVUFW-HNNXBMFYSA-N 1 0 341.433 2.461 10 5 EEBERO CC1([NH+]2CCCC2)CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001652243470 1354083432 /nfs/dbraw/zinc/08/34/32/1354083432.db2.gz ZKKZUFGCINAALN-UHFFFAOYSA-N 1 0 347.419 2.298 10 5 EEBERO O=C(CC[NH2+][C@H]1CCCn2nccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC001655421710 1354173657 /nfs/dbraw/zinc/17/36/57/1354173657.db2.gz LUKBKOMCOISBFA-AWEZNQCLSA-N 1 0 329.360 2.245 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CC(N)=O)CCCCC1 ZINC001655832316 1354186578 /nfs/dbraw/zinc/18/65/78/1354186578.db2.gz JGOJISKHFNFYRY-UHFFFAOYSA-N 1 0 348.403 2.010 10 5 EEBERO Cc1ccn(C)c1C(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001660117035 1354399755 /nfs/dbraw/zinc/39/97/55/1354399755.db2.gz UCQNNQYCUKHPPU-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccn1C ZINC001698983449 1405200728 /nfs/dbraw/zinc/20/07/28/1405200728.db2.gz BVAPZCVJKOTHSP-UHFFFAOYSA-N 1 0 330.388 2.137 10 5 EEBERO [NH3+]CC1(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000846690753 790412352 /nfs/dbraw/zinc/41/23/52/790412352.db2.gz ADZLKXNSOCHWHE-UHFFFAOYSA-N 1 0 346.431 2.444 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908346863 785339804 /nfs/dbraw/zinc/33/98/04/785339804.db2.gz ILXBLGVRRPXUAE-PRHODGIISA-N 1 0 327.743 2.163 10 5 EEBERO Cn1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000819184355 785453134 /nfs/dbraw/zinc/45/31/34/785453134.db2.gz YNRNZDPEQVOEHP-GFCCVEGCSA-N 1 0 344.293 2.170 10 5 EEBERO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001136398780 786539175 /nfs/dbraw/zinc/53/91/75/786539175.db2.gz VUMOZCINSGOOFX-VIFPVBQESA-N 1 0 343.815 2.212 10 5 EEBERO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC([NH+]2CCC2)CC1 ZINC000912882379 788443972 /nfs/dbraw/zinc/44/39/72/788443972.db2.gz HBRBCARQWWUSPB-UHFFFAOYSA-N 1 0 328.372 2.386 10 5 EEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912923768 788475090 /nfs/dbraw/zinc/47/50/90/788475090.db2.gz IVKUIFIDEXLDSC-TZMCWYRMSA-N 1 0 335.429 2.382 10 5 EEBERO COc1c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000913279947 788740134 /nfs/dbraw/zinc/74/01/34/788740134.db2.gz YCQIAVLQEDIMIH-IRXDYDNUSA-N 1 0 333.388 2.017 10 5 EEBERO C[C@@H]1[C@H](C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000913385767 788833054 /nfs/dbraw/zinc/83/30/54/788833054.db2.gz ITONTZSMQHHBAV-PSASIEDQSA-N 1 0 329.759 2.344 10 5 EEBERO [NH3+]C[C@@H]1Cc2ccccc2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923415064 789521223 /nfs/dbraw/zinc/52/12/23/789521223.db2.gz PPERMXBXZQYFON-SCLBCKFNSA-N 1 0 327.384 2.266 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnc(C)[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001566543688 1125712846 /nfs/dbraw/zinc/71/28/46/1125712846.db2.gz UIMSCJUKGKBAFM-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(OC)o1 ZINC001497471837 1102542401 /nfs/dbraw/zinc/54/24/01/1102542401.db2.gz SHXCSFQUPMIMRM-UHFFFAOYSA-N 1 0 347.371 2.448 10 5 EEBERO Cc1cnc(N2CCC(O)(C[NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001458705292 1109942425 /nfs/dbraw/zinc/94/24/25/1109942425.db2.gz QXSDETDIFCXVPI-UHFFFAOYSA-N 1 0 334.420 2.115 10 5 EEBERO C[NH+](C)CC[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccnc1 ZINC001472883530 1110565326 /nfs/dbraw/zinc/56/53/26/1110565326.db2.gz YEEBEWLJEQSDDC-HNNXBMFYSA-N 1 0 343.387 2.194 10 5 EEBERO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H](C)[NH+](C)C ZINC001546421492 1120515346 /nfs/dbraw/zinc/51/53/46/1120515346.db2.gz HSIHNNYQIJITCW-ZDUSSCGKSA-N 1 0 346.435 2.335 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC001540644150 1124088610 /nfs/dbraw/zinc/08/86/10/1124088610.db2.gz UYQCLIGRIRQLNL-JTQLQIEISA-N 1 0 343.815 2.212 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC001540649379 1124089289 /nfs/dbraw/zinc/08/92/89/1124089289.db2.gz VCODKJGPTZNLLW-QMMMGPOBSA-N 1 0 343.796 2.066 10 5 EEBERO CC(C)(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCCC1 ZINC001568236090 1124378243 /nfs/dbraw/zinc/37/82/43/1124378243.db2.gz ARXZYVVJGGHFDL-UHFFFAOYSA-N 1 0 345.403 2.352 10 5 EEBERO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000066835947 215085239 /nfs/dbraw/zinc/08/52/39/215085239.db2.gz BYHQTKRLUXTTJU-CYBMUJFWSA-N 1 0 349.387 2.117 10 5 EEBERO [NH3+][C@H]1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000040713449 213373532 /nfs/dbraw/zinc/37/35/32/213373532.db2.gz YQYWHBHSQGWZEU-YWVKMMECSA-N 1 0 341.209 2.316 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000191783687 239295001 /nfs/dbraw/zinc/29/50/01/239295001.db2.gz WHHRTNJCAWKLOX-GFCCVEGCSA-N 1 0 337.424 2.052 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1COc3ccccc3O1)OCO2 ZINC000095385678 218317703 /nfs/dbraw/zinc/31/77/03/218317703.db2.gz ZUMKJBKECZLULN-LBPRGKRZSA-N 1 0 344.323 2.253 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000171694212 533138774 /nfs/dbraw/zinc/13/87/74/533138774.db2.gz STHFMGRGDXXZDW-NSHDSACASA-N 1 0 339.417 2.369 10 5 EEBERO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000117399081 221060346 /nfs/dbraw/zinc/06/03/46/221060346.db2.gz GMSBJLBMDLRBNZ-CQSZACIVSA-N 1 0 336.392 2.169 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273285303 256283930 /nfs/dbraw/zinc/28/39/30/256283930.db2.gz HOMJVNDPVWLFHD-CCEZHUSRSA-N 1 0 347.415 2.179 10 5 EEBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000116249218 152044005 /nfs/dbraw/zinc/04/40/05/152044005.db2.gz UVAINDCFHXYUJY-OCCSQVGLSA-N 1 0 344.371 2.223 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000249264194 160376731 /nfs/dbraw/zinc/37/67/31/160376731.db2.gz IJUUOQGZRSUNMZ-AAEUAGOBSA-N 1 0 334.376 2.304 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000194651883 160197828 /nfs/dbraw/zinc/19/78/28/160197828.db2.gz ZNKQNNOYTTVOAE-AWEZNQCLSA-N 1 0 347.415 2.229 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000246764584 160293817 /nfs/dbraw/zinc/29/38/17/160293817.db2.gz UEXDVOPUVHJHAI-RISCZKNCSA-N 1 0 337.807 2.486 10 5 EEBERO CCOC(=O)c1ccnc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247491297 160326110 /nfs/dbraw/zinc/32/61/10/160326110.db2.gz WWXIZAOWHDUULI-DGCLKSJQSA-N 1 0 336.392 2.307 10 5 EEBERO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000352781138 162283767 /nfs/dbraw/zinc/28/37/67/162283767.db2.gz XOSRBKMBRQARQJ-KGLIPLIRSA-N 1 0 333.388 2.094 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000359043667 164045155 /nfs/dbraw/zinc/04/51/55/164045155.db2.gz WMCOTYLBOZNTKF-JTQLQIEISA-N 1 0 343.330 2.268 10 5 EEBERO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C[NH3+])C1 ZINC000235382509 274305038 /nfs/dbraw/zinc/30/50/38/274305038.db2.gz HQRYANLUJJWUTC-RKDXNWHRSA-N 1 0 329.198 2.316 10 5 EEBERO CC[NH+](CC)C[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362761681 276107399 /nfs/dbraw/zinc/10/73/99/276107399.db2.gz AYQAALPBVXJCJJ-JTQLQIEISA-N 1 0 329.347 2.262 10 5 EEBERO Cc1c(NC(=O)N(C)C2C[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415649294 313160862 /nfs/dbraw/zinc/16/08/62/313160862.db2.gz DCZOHZYLABDYOR-UHFFFAOYSA-N 1 0 343.181 2.101 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000417844011 313616057 /nfs/dbraw/zinc/61/60/57/313616057.db2.gz HHGAFNWIGNPCMH-GXFFZTMASA-N 1 0 342.346 2.261 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421749793 314154840 /nfs/dbraw/zinc/15/48/40/314154840.db2.gz RQZNKXUOMRDWQI-UHFFFAOYSA-N 1 0 335.404 2.006 10 5 EEBERO COc1cc(C[N@H+](CC(C)(C)O)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000539808699 318063615 /nfs/dbraw/zinc/06/36/15/318063615.db2.gz QDMNREDPBBWXQD-UHFFFAOYSA-N 1 0 338.404 2.355 10 5 EEBERO CC[NH+]1CCN(CCCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000577503587 320259689 /nfs/dbraw/zinc/25/96/89/320259689.db2.gz HQLYTUIEIGLZHL-UHFFFAOYSA-N 1 0 347.463 2.308 10 5 EEBERO Cc1[nH]c2ccc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2c1C ZINC000580642386 324102595 /nfs/dbraw/zinc/10/25/95/324102595.db2.gz VINLCJCMBBNION-HNNXBMFYSA-N 1 0 343.387 2.040 10 5 EEBERO COc1ccc(-c2ccc(C[NH+]3CC(C)(C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000583381992 324652321 /nfs/dbraw/zinc/65/23/21/324652321.db2.gz ABSJSIPUQWBTKH-UHFFFAOYSA-N 1 0 345.355 2.171 10 5 EEBERO C[C@@H](CC[NH3+])Nc1ccc(I)cc1[N+](=O)[O-] ZINC000336643522 465040656 /nfs/dbraw/zinc/04/06/56/465040656.db2.gz AYDJPTPDIMLJPL-ZETCQYMHSA-N 1 0 335.145 2.349 10 5 EEBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000127957831 462597476 /nfs/dbraw/zinc/59/74/76/462597476.db2.gz LWATWRRNMDBDSV-UHFFFAOYSA-N 1 0 327.331 2.476 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000089602740 462697516 /nfs/dbraw/zinc/69/75/16/462697516.db2.gz OBMPLSLSLIQMKQ-GFCCVEGCSA-N 1 0 339.367 2.408 10 5 EEBERO Cc1ccc(OCC[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090511926 462794493 /nfs/dbraw/zinc/79/44/93/462794493.db2.gz IQKZNNDMPIMAIR-UHFFFAOYSA-N 1 0 331.372 2.076 10 5 EEBERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000092669161 462970423 /nfs/dbraw/zinc/97/04/23/462970423.db2.gz SXWZVDQVBUCSPM-OCCSQVGLSA-N 1 0 333.388 2.444 10 5 EEBERO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000133860230 462979376 /nfs/dbraw/zinc/97/93/76/462979376.db2.gz SVEMOIDPLFWEQP-CYBMUJFWSA-N 1 0 335.408 2.046 10 5 EEBERO CCOc1cc(C[NH+]2CCC(C(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276862696 463786368 /nfs/dbraw/zinc/78/63/68/463786368.db2.gz GNJYQEDWFWRJHU-UHFFFAOYSA-N 1 0 335.404 2.294 10 5 EEBERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000261623578 463806323 /nfs/dbraw/zinc/80/63/23/463806323.db2.gz GIXDVEDXRWTTOJ-SUYBPPKGSA-N 1 0 333.388 2.374 10 5 EEBERO COCCN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000278813665 463992000 /nfs/dbraw/zinc/99/20/00/463992000.db2.gz SSEKWPOLXACBGJ-ZDUSSCGKSA-N 1 0 347.337 2.424 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000284913218 464390047 /nfs/dbraw/zinc/39/00/47/464390047.db2.gz VLHYMZIEYYSCFZ-OAHLLOKOSA-N 1 0 335.404 2.354 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000285153395 464469525 /nfs/dbraw/zinc/46/95/25/464469525.db2.gz UBIUHLDKBFZZDD-CVEARBPZSA-N 1 0 328.372 2.052 10 5 EEBERO CCCCNC(=O)NC(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181546957 464505204 /nfs/dbraw/zinc/50/52/04/464505204.db2.gz YPVKXGSJIAUPSS-AWEZNQCLSA-N 1 0 336.392 2.261 10 5 EEBERO CC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246628972 464606844 /nfs/dbraw/zinc/60/68/44/464606844.db2.gz NZDUYHFERLKHPI-UONOGXRCSA-N 1 0 344.415 2.424 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000579852398 468425348 /nfs/dbraw/zinc/42/53/48/468425348.db2.gz LNRHEPUFHQSXTH-OAHLLOKOSA-N 1 0 338.429 2.387 10 5 EEBERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597090204 468439978 /nfs/dbraw/zinc/43/99/78/468439978.db2.gz JJBWVPZDXXYOOV-JTQLQIEISA-N 1 0 341.799 2.388 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000302780727 466184484 /nfs/dbraw/zinc/18/44/84/466184484.db2.gz RJZQXELSXMWGPR-VIFPVBQESA-N 1 0 329.198 2.283 10 5 EEBERO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H](c1ccccc1)[NH+](C)C ZINC000357686248 466209950 /nfs/dbraw/zinc/20/99/50/466209950.db2.gz OQWDCGFGMDHODI-SJKOYZFVSA-N 1 0 340.387 2.741 10 5 EEBERO C[C@@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1O ZINC000597205085 468479284 /nfs/dbraw/zinc/47/92/84/468479284.db2.gz LKLWUDJBMNUHRU-CHWSQXEVSA-N 1 0 344.415 2.444 10 5 EEBERO O=C(CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)Nc1ccccc1[N+](=O)[O-] ZINC000361753626 466259030 /nfs/dbraw/zinc/25/90/30/466259030.db2.gz AJTIOTASHHBCTD-MPYYAJLASA-N 1 0 333.388 2.016 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000362029054 466497701 /nfs/dbraw/zinc/49/77/01/466497701.db2.gz RTWIARHLYODPDD-SQNIBIBYSA-N 1 0 344.415 2.468 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000354441569 466570447 /nfs/dbraw/zinc/57/04/47/466570447.db2.gz VYCLMHKSJMMMRF-GFCCVEGCSA-N 1 0 339.392 2.287 10 5 EEBERO COc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000415454062 466684664 /nfs/dbraw/zinc/68/46/64/466684664.db2.gz ZRUCJOCJQHGXOD-QYJAPNMZSA-N 1 0 334.376 2.350 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000423677103 466800661 /nfs/dbraw/zinc/80/06/61/466800661.db2.gz QHZHJHUNTKQOJX-BBRMVZONSA-N 1 0 335.407 2.103 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378503418 467324466 /nfs/dbraw/zinc/32/44/66/467324466.db2.gz AQXUPUKXMUNNAE-QAPCUYQASA-N 1 0 343.383 2.124 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+]CC[C@@](C)(O)COC)cc1[N+](=O)[O-] ZINC000453245468 467469647 /nfs/dbraw/zinc/46/96/47/467469647.db2.gz BWQCDARKPZBTDS-MLGOLLRUSA-N 1 0 326.393 2.432 10 5 EEBERO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000415101434 467489011 /nfs/dbraw/zinc/48/90/11/467489011.db2.gz BLNMQQGDRDYMKH-DZGCQCFKSA-N 1 0 325.434 2.375 10 5 EEBERO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cn1 ZINC000532134370 468099242 /nfs/dbraw/zinc/09/92/42/468099242.db2.gz RLZAWTRJYUYORY-UHFFFAOYSA-N 1 0 340.383 2.168 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000589505128 468158430 /nfs/dbraw/zinc/15/84/30/468158430.db2.gz BOBHNXZNZHYVIX-HOCLYGCPSA-N 1 0 347.415 2.298 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1nc3c(cc1[N+](=O)[O-])CCCC3)CCO2 ZINC000591993275 468592159 /nfs/dbraw/zinc/59/21/59/468592159.db2.gz UYIIPLGXXLDCEZ-UHFFFAOYSA-N 1 0 346.431 2.170 10 5 EEBERO [NH3+]C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)(F)F ZINC000594450183 468593838 /nfs/dbraw/zinc/59/38/38/468593838.db2.gz JMMDBMRXTKUPBE-SNVBAGLBSA-N 1 0 333.291 2.429 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594524860 468615736 /nfs/dbraw/zinc/61/57/36/468615736.db2.gz MFPQEUUBFZGJGI-GZMMTYOYSA-N 1 0 334.298 2.153 10 5 EEBERO CC(C)(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594524658 468615981 /nfs/dbraw/zinc/61/59/81/468615981.db2.gz LHTSEPKRRJZSNM-JTQLQIEISA-N 1 0 334.298 2.019 10 5 EEBERO COc1c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000597662823 468630485 /nfs/dbraw/zinc/63/04/85/468630485.db2.gz AFVWFMBZTRSBRJ-UHFFFAOYSA-N 1 0 333.388 2.161 10 5 EEBERO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178073 468647070 /nfs/dbraw/zinc/64/70/70/468647070.db2.gz OKHNNLWUDHZYBQ-INIZCTEOSA-N 1 0 347.415 2.137 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000594733525 468667968 /nfs/dbraw/zinc/66/79/68/468667968.db2.gz XKDUZCVXHSIPPU-WWGRRREGSA-N 1 0 338.429 2.394 10 5 EEBERO [NH3+]C1(CNc2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000600953397 468695458 /nfs/dbraw/zinc/69/54/58/468695458.db2.gz ZUNNCOJFPUHSSQ-UHFFFAOYSA-N 1 0 330.182 2.277 10 5 EEBERO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859519 468696445 /nfs/dbraw/zinc/69/64/45/468696445.db2.gz DZQCABLICXYPFT-ZDUSSCGKSA-N 1 0 335.404 2.271 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476059 468706906 /nfs/dbraw/zinc/70/69/06/468706906.db2.gz NZAKFTRFRNHNEV-GDBMZVCRSA-N 1 0 346.431 2.306 10 5 EEBERO O=C(N1CCN(C2CC2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601020682 468720912 /nfs/dbraw/zinc/72/09/12/468720912.db2.gz YYUXBQWXSMXJLU-UHFFFAOYSA-N 1 0 329.400 2.323 10 5 EEBERO Cn1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988237 468738738 /nfs/dbraw/zinc/73/87/38/468738738.db2.gz ODLRTYIZJMNBND-HOTGVXAUSA-N 1 0 342.399 2.388 10 5 EEBERO CCC[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595080700 468753791 /nfs/dbraw/zinc/75/37/91/468753791.db2.gz YQEOHPLOROYIFP-IRXDYDNUSA-N 1 0 338.404 2.194 10 5 EEBERO O=C1N(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000595105161 468760334 /nfs/dbraw/zinc/76/03/34/468760334.db2.gz QRJYJAPGHRDLSQ-BBRMVZONSA-N 1 0 344.415 2.462 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000601188604 468776116 /nfs/dbraw/zinc/77/61/16/468776116.db2.gz KMZLCKAMJGFRPG-KRWDZBQOSA-N 1 0 330.388 2.036 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000593030951 468845589 /nfs/dbraw/zinc/84/55/89/468845589.db2.gz TULDVQHLFDHUJV-NWANDNLSSA-N 1 0 334.372 2.285 10 5 EEBERO Cc1sc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598539344 468905609 /nfs/dbraw/zinc/90/56/09/468905609.db2.gz HRXYRTBSKJIHKS-GFCCVEGCSA-N 1 0 341.433 2.148 10 5 EEBERO COC(=O)c1ccnc(N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598636058 468940823 /nfs/dbraw/zinc/94/08/23/468940823.db2.gz CDSIVZVSWLNBPN-GFCCVEGCSA-N 1 0 336.392 2.309 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)c1 ZINC000595680351 468952503 /nfs/dbraw/zinc/95/25/03/468952503.db2.gz ZROFORQBLOVUFS-SWLSCSKDSA-N 1 0 336.388 2.364 10 5 EEBERO C[C@@H](O)C[N@@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000593468674 468994574 /nfs/dbraw/zinc/99/45/74/468994574.db2.gz DDVVAHOTVPYUBH-QWHCGFSZSA-N 1 0 330.388 2.034 10 5 EEBERO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](C(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000593670498 469087560 /nfs/dbraw/zinc/08/75/60/469087560.db2.gz RYGZVXPFRIPREH-PHIMTYICSA-N 1 0 345.355 2.217 10 5 EEBERO C[NH+](C)CCc1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000588028566 469107770 /nfs/dbraw/zinc/10/77/70/469107770.db2.gz VRAKYOXSFRHIGN-UHFFFAOYSA-N 1 0 344.415 2.386 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000593739081 469118275 /nfs/dbraw/zinc/11/82/75/469118275.db2.gz VIMNNQQLCOXJBA-SUYBPPKGSA-N 1 0 335.404 2.019 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000599164738 469144884 /nfs/dbraw/zinc/14/48/84/469144884.db2.gz LGQXNKDEVJNAIL-LBPRGKRZSA-N 1 0 334.376 2.205 10 5 EEBERO COC(=O)c1c(Cl)c(NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596112283 469160703 /nfs/dbraw/zinc/16/07/03/469160703.db2.gz MFTWPZDLSIMUID-SECBINFHSA-N 1 0 327.768 2.398 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596363902 469251425 /nfs/dbraw/zinc/25/14/25/469251425.db2.gz LVGYKSNZYRVLGE-AWEZNQCLSA-N 1 0 345.447 2.827 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596425712 469262767 /nfs/dbraw/zinc/26/27/67/469262767.db2.gz WBFDUPOFWYDCDW-UHFFFAOYSA-N 1 0 335.452 2.164 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000611615786 469293452 /nfs/dbraw/zinc/29/34/52/469293452.db2.gz DKTFVNFBLCOQDQ-UHFFFAOYSA-N 1 0 334.420 2.155 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2CCOCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000611813183 469328229 /nfs/dbraw/zinc/32/82/29/469328229.db2.gz KURXLFGXSCHCCP-UHFFFAOYSA-N 1 0 333.388 2.344 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(CO)CC3(CCC3)C1)OCCO2 ZINC000618969386 469482136 /nfs/dbraw/zinc/48/21/36/469482136.db2.gz LJPMDGSSXHSXRK-UHFFFAOYSA-N 1 0 348.399 2.398 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000175166569 529099349 /nfs/dbraw/zinc/09/93/49/529099349.db2.gz MYMTZJPJWNOQJH-HNNXBMFYSA-N 1 0 346.431 2.408 10 5 EEBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451257958 536181889 /nfs/dbraw/zinc/18/18/89/536181889.db2.gz QTZQQKKCKXPODM-HIFRSBDPSA-N 1 0 335.404 2.325 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)OCCCO1 ZINC000754124002 577800781 /nfs/dbraw/zinc/80/07/81/577800781.db2.gz RXYMHYBHOZIEME-GFCCVEGCSA-N 1 0 337.376 2.055 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)n2)cc1 ZINC000756887980 577852393 /nfs/dbraw/zinc/85/23/93/577852393.db2.gz NCGOQRBJNCEHKL-GDBMZVCRSA-N 1 0 343.387 2.312 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000928448796 683197393 /nfs/dbraw/zinc/19/73/93/683197393.db2.gz OTHRJRAXXRDTFE-PELKAZGASA-N 1 0 342.193 2.180 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CCC(CC)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000899562378 693789500 /nfs/dbraw/zinc/78/95/00/693789500.db2.gz RDHJSPUFSRWABB-UHFFFAOYSA-N 1 0 349.435 2.361 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCCO3)C1)OCCO2 ZINC000895842864 684740664 /nfs/dbraw/zinc/74/06/64/684740664.db2.gz GDXPPLYFXCMIKD-WFASDCNBSA-N 1 0 334.372 2.367 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896137145 684856079 /nfs/dbraw/zinc/85/60/79/684856079.db2.gz BOYSBCJAFIGWMS-AWEZNQCLSA-N 1 0 335.404 2.052 10 5 EEBERO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@]12CC[N@H+](C1)CCC2 ZINC000897787053 691782607 /nfs/dbraw/zinc/78/26/07/691782607.db2.gz CAPUBAADSIKLEG-SFHVURJKSA-N 1 0 342.399 2.221 10 5 EEBERO CC(F)(F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691130784 1177619717 /nfs/dbraw/zinc/61/97/17/1177619717.db2.gz MTNNYBZQPWENHN-UMSPYCQHSA-N 1 0 327.331 2.234 10 5 EEBERO CC(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691135482 1177624875 /nfs/dbraw/zinc/62/48/75/1177624875.db2.gz QAGNMRJVJRFSSH-SHTZXODSSA-N 1 0 335.404 2.004 10 5 EEBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1nccs1 ZINC001691230877 1177743620 /nfs/dbraw/zinc/74/36/20/1177743620.db2.gz TYZQHORWHTXMGI-UHFFFAOYSA-N 1 0 346.412 2.446 10 5 EEBERO Cc1cnccc1CC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001481230154 1180364805 /nfs/dbraw/zinc/36/48/05/1180364805.db2.gz HXCJIYBAGWWFJQ-UHFFFAOYSA-N 1 0 342.399 2.089 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccon1 ZINC001482212271 1184150523 /nfs/dbraw/zinc/15/05/23/1184150523.db2.gz UPZBELFOGQIWBB-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)C(F)F ZINC001270707853 1185331384 /nfs/dbraw/zinc/33/13/84/1185331384.db2.gz SQZZILJBRZYUSP-UHFFFAOYSA-N 1 0 327.331 2.379 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)C(C)(C)C ZINC001482914813 1187840180 /nfs/dbraw/zinc/84/01/80/1187840180.db2.gz USPYWDFBXUQPHO-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO CC(C(=O)N(CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1)=C1CCC1 ZINC001272162210 1187968330 /nfs/dbraw/zinc/96/83/30/1187968330.db2.gz HTTXDYGBZGYBRR-UHFFFAOYSA-N 1 0 347.415 2.006 10 5 EEBERO CCc1nc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001483001078 1187981324 /nfs/dbraw/zinc/98/13/24/1187981324.db2.gz QOCNVBAUKBVHRN-WAYWQWQTSA-N 1 0 344.371 2.221 10 5 EEBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC001483074429 1188432808 /nfs/dbraw/zinc/43/28/08/1188432808.db2.gz WYUAYZMIZWCGKT-IHWYPQMZSA-N 1 0 340.383 2.374 10 5 EEBERO CCc1ccc(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cc1 ZINC001273084140 1194375127 /nfs/dbraw/zinc/37/51/27/1194375127.db2.gz CVPTYEGDPGFUPW-IAGOWNOFSA-N 1 0 345.443 2.085 10 5 EEBERO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863907605 1197917152 /nfs/dbraw/zinc/91/71/52/1197917152.db2.gz HIAIOPQSDJJCOH-SFHVURJKSA-N 1 0 345.399 2.181 10 5 EEBERO COc1cc(C(=O)O[C@@H](C[NH+](C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000870571561 1200748228 /nfs/dbraw/zinc/74/82/28/1200748228.db2.gz OKJGQGOMPGTDQT-HNNXBMFYSA-N 1 0 340.376 2.355 10 5 EEBERO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928838646 1206426555 /nfs/dbraw/zinc/42/65/55/1206426555.db2.gz AJESWQBWHZQJMI-INIZCTEOSA-N 1 0 328.372 2.413 10 5 EEBERO CNC(=O)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000796609610 1221661169 /nfs/dbraw/zinc/66/11/69/1221661169.db2.gz BVBMHMOKSKXMMX-IRXDYDNUSA-N 1 0 343.383 2.095 10 5 EEBERO C[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850500015 1277248867 /nfs/dbraw/zinc/24/88/67/1277248867.db2.gz CACMSZDZCOSGTD-IAQYHMDHSA-N 1 0 340.383 2.415 10 5 EEBERO CC(C)(C)[C@@H](C[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766926 1293911591 /nfs/dbraw/zinc/91/15/91/1293911591.db2.gz YNDFXTVCZJSWHI-LLVKDONJSA-N 1 0 331.319 2.056 10 5 EEBERO O=C(OCCC[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000860922130 1295174458 /nfs/dbraw/zinc/17/44/58/1295174458.db2.gz IJDFELRSCUJRDW-DLBZAZTESA-N 1 0 332.400 2.355 10 5 EEBERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863581899 1296344037 /nfs/dbraw/zinc/34/40/37/1296344037.db2.gz YBVDABXJJLFCBK-DLBZAZTESA-N 1 0 341.367 2.045 10 5 EEBERO CC(C)(O)CC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001278045689 1305779080 /nfs/dbraw/zinc/77/90/80/1305779080.db2.gz JOWGSPYODXDJKK-UHFFFAOYSA-N 1 0 349.431 2.227 10 5 EEBERO CC[C@@](O)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC001119854714 1309228960 /nfs/dbraw/zinc/22/89/60/1309228960.db2.gz FMGQAZXSHORZIT-GFCCVEGCSA-N 1 0 336.314 2.132 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001149097484 1310505452 /nfs/dbraw/zinc/50/54/52/1310505452.db2.gz FGRGHOBYDXIANU-ZDUSSCGKSA-N 1 0 332.404 2.029 10 5 EEBERO CCCC[N@H+](C)CC1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001292993473 1328573939 /nfs/dbraw/zinc/57/39/39/1328573939.db2.gz PPCWQGXLNXVJBY-UHFFFAOYSA-N 1 0 349.435 2.156 10 5 EEBERO C[NH+](C)CC[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C(C)(C)C ZINC001293338974 1328677928 /nfs/dbraw/zinc/67/79/28/1328677928.db2.gz DJRFFGFMKUHPSQ-QMMMGPOBSA-N 1 0 331.804 2.068 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001263620039 1322495308 /nfs/dbraw/zinc/49/53/08/1322495308.db2.gz JYEZUMZVJRJWSI-AWEZNQCLSA-N 1 0 349.387 2.047 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001263996145 1322580671 /nfs/dbraw/zinc/58/06/71/1322580671.db2.gz UQLMXADBVYVGES-PTOFAABTSA-N 1 0 341.770 2.457 10 5 EEBERO Cc1cc[nH]c1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001265837728 1323413305 /nfs/dbraw/zinc/41/33/05/1323413305.db2.gz PULGYEFXWIHXFG-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO CCC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001280388329 1324193091 /nfs/dbraw/zinc/19/30/91/1324193091.db2.gz SLTYBQGNOKMQRU-FZZYSBJUSA-N 1 0 335.448 2.322 10 5 EEBERO COCCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001282958393 1325854271 /nfs/dbraw/zinc/85/42/71/1325854271.db2.gz OLTXGPUWIGLRQP-UHFFFAOYSA-N 1 0 347.415 2.056 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C(F)F)CC1 ZINC001317585649 1332309543 /nfs/dbraw/zinc/30/95/43/1332309543.db2.gz UIRNSUBJQNWISK-UHFFFAOYSA-N 1 0 327.331 2.188 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1C ZINC001317661807 1332356132 /nfs/dbraw/zinc/35/61/32/1332356132.db2.gz LVFRILFIJMXNTP-UHFFFAOYSA-N 1 0 344.415 2.412 10 5 EEBERO CC(C)C(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001327617235 1334323332 /nfs/dbraw/zinc/32/33/32/1334323332.db2.gz UFQMSEMMSCPWBI-UHFFFAOYSA-N 1 0 335.404 2.006 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3ccc([N+](=O)[O-])c(C)n3)CC[NH2+]2)c1 ZINC001613092307 1352313510 /nfs/dbraw/zinc/31/35/10/1352313510.db2.gz DWGBJGIVUHPYPF-OAHLLOKOSA-N 1 0 342.399 2.328 10 5 EEBERO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001620616842 1352360731 /nfs/dbraw/zinc/36/07/31/1352360731.db2.gz MAJUQEGEWVGHRY-LRDDRELGSA-N 1 0 335.404 2.453 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccn(C)n1 ZINC001620662297 1352361526 /nfs/dbraw/zinc/36/15/26/1352361526.db2.gz BAPXMWWXGPQHNQ-UHFFFAOYSA-N 1 0 331.376 2.097 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001558679518 1342486246 /nfs/dbraw/zinc/48/62/46/1342486246.db2.gz QUXAFCPFPLJSPJ-ZDUSSCGKSA-N 1 0 333.388 2.065 10 5 EEBERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001583348999 1344892438 /nfs/dbraw/zinc/89/24/38/1344892438.db2.gz ODGMYYKUJXTCJA-SNVBAGLBSA-N 1 0 346.790 2.286 10 5 EEBERO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001606972888 1351388521 /nfs/dbraw/zinc/38/85/21/1351388521.db2.gz XRIKVGMCQUSXNU-ZFWWWQNUSA-N 1 0 334.420 2.268 10 5 EEBERO CC[C@@]1(O)CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC001647993503 1353412673 /nfs/dbraw/zinc/41/26/73/1353412673.db2.gz PAKWSRZGWLECOX-QGZVFWFLSA-N 1 0 349.387 2.130 10 5 EEBERO C[C@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(C)CC1 ZINC001655794113 1354184776 /nfs/dbraw/zinc/18/47/76/1354184776.db2.gz IBLXCNRDMDABFM-AWEZNQCLSA-N 1 0 346.431 2.022 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000237666147 774121076 /nfs/dbraw/zinc/12/10/76/774121076.db2.gz DMFOJZXMIMSRDF-UHFFFAOYSA-N 1 0 341.433 2.233 10 5 EEBERO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847043025 790859192 /nfs/dbraw/zinc/85/91/92/790859192.db2.gz DAFOKDQWPWWAPK-NWDGAFQWSA-N 1 0 346.214 2.152 10 5 EEBERO Cc1cc(C)n2c(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cnc2n1 ZINC000809734746 783319114 /nfs/dbraw/zinc/31/91/14/783319114.db2.gz PTFPNXSBQKXPFI-UHFFFAOYSA-N 1 0 340.387 2.220 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000912815591 788391841 /nfs/dbraw/zinc/39/18/41/788391841.db2.gz NYLHQAQZSJMEOV-MLGOLLRUSA-N 1 0 334.420 2.491 10 5 EEBERO COc1c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000913279945 788739440 /nfs/dbraw/zinc/73/94/40/788739440.db2.gz YCQIAVLQEDIMIH-CALCHBBNSA-N 1 0 333.388 2.017 10 5 EEBERO C[NH+](C)C1(C)CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000913398709 788839742 /nfs/dbraw/zinc/83/97/42/788839742.db2.gz MYTIUVWRRUROOB-UHFFFAOYSA-N 1 0 344.415 2.492 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442490 789126228 /nfs/dbraw/zinc/12/62/28/789126228.db2.gz YRVRKVDKKPIKCM-SWLSCSKDSA-N 1 0 342.342 2.456 10 5 EEBERO C[C@H]1C[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001148546885 792521311 /nfs/dbraw/zinc/52/13/11/792521311.db2.gz BOTXNEKSIMCSNI-JGVFFNPUSA-N 1 0 344.774 2.182 10 5 EEBERO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788541057 807566742 /nfs/dbraw/zinc/56/67/42/807566742.db2.gz BRZSTJYPNAWGBI-JSGCOSHPSA-N 1 0 342.403 2.287 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001545988776 1101296665 /nfs/dbraw/zinc/29/66/65/1101296665.db2.gz SNQRMVBXSWDTOE-AWEZNQCLSA-N 1 0 334.420 2.396 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001543699605 1124133224 /nfs/dbraw/zinc/13/32/24/1124133224.db2.gz RPUIISOXIZMJBE-XJKSGUPXSA-N 1 0 334.420 2.243 10 5 EEBERO COc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001544902897 1124172096 /nfs/dbraw/zinc/17/20/96/1124172096.db2.gz JPTCTXUHFDMSQW-KBPBESRZSA-N 1 0 335.404 2.340 10 5 EEBERO Nc1c(C(=O)NCC[N@H+]2CC=CCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001568462077 1124524794 /nfs/dbraw/zinc/52/47/94/1124524794.db2.gz RCFCDUYPLFKATP-UHFFFAOYSA-N 1 0 340.383 2.322 10 5 EEBERO CCC(=CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1)CC ZINC001565862071 1125442638 /nfs/dbraw/zinc/44/26/38/1125442638.db2.gz RNJWUTCVTMYGNF-HDJSIYSDSA-N 1 0 349.435 2.059 10 5 EEBERO O=[N+]([O-])c1cc(Br)cnc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360586 214090903 /nfs/dbraw/zinc/09/09/03/214090903.db2.gz AKBYIMYPUUGCIU-WDEREUQCSA-N 1 0 341.209 2.473 10 5 EEBERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000116789760 282139217 /nfs/dbraw/zinc/13/92/17/282139217.db2.gz GOAYQAIRDBPTFS-AWEZNQCLSA-N 1 0 349.431 2.295 10 5 EEBERO C[NH+](C)CCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000004154614 210133475 /nfs/dbraw/zinc/13/34/75/210133475.db2.gz HXUICTWMWMKWSJ-UHFFFAOYSA-N 1 0 327.340 2.296 10 5 EEBERO CN(C(=O)CN1CCC([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000066533815 215050590 /nfs/dbraw/zinc/05/05/90/215050590.db2.gz WNLZCSOLIISGGU-UHFFFAOYSA-N 1 0 346.431 2.118 10 5 EEBERO C[C@@]12C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451359712 243089162 /nfs/dbraw/zinc/08/91/62/243089162.db2.gz DFSPNVKDTCCJOX-LCEIHVTHSA-N 1 0 344.411 2.479 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC2(C1)CCCOC2 ZINC000451778628 243258729 /nfs/dbraw/zinc/25/87/29/243258729.db2.gz HDMFEBIAZFRUHU-UHFFFAOYSA-N 1 0 342.355 2.033 10 5 EEBERO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000097370653 219016633 /nfs/dbraw/zinc/01/66/33/219016633.db2.gz AEGNMHPEBGGWOM-LBPRGKRZSA-N 1 0 326.356 2.230 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246595701 160286069 /nfs/dbraw/zinc/28/60/69/160286069.db2.gz ZFFCPKAIDPMIGQ-BXUZGUMPSA-N 1 0 336.392 2.454 10 5 EEBERO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000246864716 160298100 /nfs/dbraw/zinc/29/81/00/160298100.db2.gz FVAZTOOEQDQVNV-CABCVRRESA-N 1 0 334.376 2.281 10 5 EEBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248062451 160337413 /nfs/dbraw/zinc/33/74/13/160337413.db2.gz PGBCSQMABWMOPX-DOTOQJQBSA-N 1 0 340.383 2.352 10 5 EEBERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342280453 161053283 /nfs/dbraw/zinc/05/32/83/161053283.db2.gz MOUSDWDCWNDREO-HNNXBMFYSA-N 1 0 341.358 2.214 10 5 EEBERO C[NH+](C)CCCOc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000343545036 161145488 /nfs/dbraw/zinc/14/54/88/161145488.db2.gz KINYLUPCATZXQP-UHFFFAOYSA-N 1 0 330.388 2.354 10 5 EEBERO C[N@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C1CCCCC1 ZINC000352339329 162094667 /nfs/dbraw/zinc/09/46/67/162094667.db2.gz CDBWYTKDFXSEBH-UHFFFAOYSA-N 1 0 349.387 2.318 10 5 EEBERO COc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352781113 162284679 /nfs/dbraw/zinc/28/46/79/162284679.db2.gz XJOCOGNJTNEVGX-RVKKMQEKSA-N 1 0 349.431 2.287 10 5 EEBERO Cn1c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000360086507 164229032 /nfs/dbraw/zinc/22/90/32/164229032.db2.gz DWRVDNXXYMYFSO-UHFFFAOYSA-N 1 0 334.351 2.064 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183223948 274119200 /nfs/dbraw/zinc/11/92/00/274119200.db2.gz SNYSXEUXOLLMDS-COPLHBTASA-N 1 0 337.376 2.088 10 5 EEBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c2c(c1)COCO2 ZINC000355101011 275033138 /nfs/dbraw/zinc/03/31/38/275033138.db2.gz BTOCVXMOYBXVJS-LRDDRELGSA-N 1 0 334.372 2.462 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000264491368 277046894 /nfs/dbraw/zinc/04/68/94/277046894.db2.gz GSARNQSKVQOSSP-HNNXBMFYSA-N 1 0 336.411 2.340 10 5 EEBERO [NH3+][C@@H]1CCC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])C[C@H]21 ZINC000261642601 295316722 /nfs/dbraw/zinc/31/67/22/295316722.db2.gz LULKWSHQAAEDIP-IQJOONFLSA-N 1 0 341.209 2.316 10 5 EEBERO Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542120302 318122483 /nfs/dbraw/zinc/12/24/83/318122483.db2.gz RBBHURWIKFEAPE-ILMHXZGMSA-N 1 0 340.383 2.295 10 5 EEBERO COc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000181999311 323361345 /nfs/dbraw/zinc/36/13/45/323361345.db2.gz XITAMUUGUPFNRC-LLVKDONJSA-N 1 0 335.335 2.255 10 5 EEBERO C[N@@H+]1CC[C@@H](c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)C1 ZINC000351169079 465086160 /nfs/dbraw/zinc/08/61/60/465086160.db2.gz XLRJUCGXUIVHNS-SNVBAGLBSA-N 1 0 329.360 2.422 10 5 EEBERO C[C@@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000076023468 462788647 /nfs/dbraw/zinc/78/86/47/462788647.db2.gz OTIJMGMWSCLLKM-LLVKDONJSA-N 1 0 343.449 2.387 10 5 EEBERO CN1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c2c[nH+]ccc21 ZINC000095446828 463085848 /nfs/dbraw/zinc/08/58/48/463085848.db2.gz UIUYIJAMKNAHJH-UHFFFAOYSA-N 1 0 342.355 2.313 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000080598414 463334890 /nfs/dbraw/zinc/33/48/90/463334890.db2.gz OOCGQRJZVXCZKI-AWEZNQCLSA-N 1 0 334.420 2.311 10 5 EEBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000261900116 463892685 /nfs/dbraw/zinc/89/26/85/463892685.db2.gz WDEWDLBAQBAGFK-TXEJJXNPSA-N 1 0 335.429 2.388 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287505685 463908350 /nfs/dbraw/zinc/90/83/50/463908350.db2.gz UTHDRQQGCBBCTQ-CQSZACIVSA-N 1 0 336.411 2.340 10 5 EEBERO C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262119605 463952356 /nfs/dbraw/zinc/95/23/56/463952356.db2.gz BTFILWGKWXXMJP-NVJLRMAKSA-N 1 0 347.415 2.305 10 5 EEBERO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000172017546 463970214 /nfs/dbraw/zinc/97/02/14/463970214.db2.gz DBCNPBOGWUQPSV-CYBMUJFWSA-N 1 0 341.433 2.056 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000280248759 464195950 /nfs/dbraw/zinc/19/59/50/464195950.db2.gz SLRGCFCFRQQWCV-SNVBAGLBSA-N 1 0 343.786 2.388 10 5 EEBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173273723 464227420 /nfs/dbraw/zinc/22/74/20/464227420.db2.gz PLGQFOOTZLDYFL-DGCLKSJQSA-N 1 0 341.433 2.006 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000263907581 464236066 /nfs/dbraw/zinc/23/60/66/464236066.db2.gz HWZOAVSEYGQKMF-HNNXBMFYSA-N 1 0 346.431 2.361 10 5 EEBERO C[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000284569499 464246761 /nfs/dbraw/zinc/24/67/61/464246761.db2.gz OEBDRTLKVAVQAY-DLBZAZTESA-N 1 0 328.372 2.052 10 5 EEBERO C[NH2+]C1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237078072 464260864 /nfs/dbraw/zinc/26/08/64/464260864.db2.gz FEJDFFJSUMQJKK-SNVBAGLBSA-N 1 0 341.795 2.226 10 5 EEBERO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000173917723 464331910 /nfs/dbraw/zinc/33/19/10/464331910.db2.gz VCEYDVQDCQVEOX-NSHDSACASA-N 1 0 347.462 2.009 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000180548474 464335552 /nfs/dbraw/zinc/33/55/52/464335552.db2.gz VWTVHWDLEKVPRK-VIFPVBQESA-N 1 0 342.193 2.181 10 5 EEBERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182898798 464753645 /nfs/dbraw/zinc/75/36/45/464753645.db2.gz ALUMKNYYIBINEK-WBMJQRKESA-N 1 0 329.356 2.245 10 5 EEBERO CC(C)[N@H+]1C[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000176844412 464865547 /nfs/dbraw/zinc/86/55/47/464865547.db2.gz GONHBZZZCJMPLO-ZFWWWQNUSA-N 1 0 349.435 2.035 10 5 EEBERO Cc1c(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cccc1[N+](=O)[O-] ZINC000359554550 465452078 /nfs/dbraw/zinc/45/20/78/465452078.db2.gz WXDGTVCEWIDEJG-HNNXBMFYSA-N 1 0 330.388 2.059 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(CCO)CCCCC1 ZINC000343434968 465516193 /nfs/dbraw/zinc/51/61/93/465516193.db2.gz WZCUGRWGOGIBHK-AWEZNQCLSA-N 1 0 338.404 2.009 10 5 EEBERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362777912 466019854 /nfs/dbraw/zinc/01/98/54/466019854.db2.gz YEJUFIZRRDDHIQ-LLVKDONJSA-N 1 0 341.358 2.406 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000353625791 466021577 /nfs/dbraw/zinc/02/15/77/466021577.db2.gz GXHMDSBOMIHAIE-AAEUAGOBSA-N 1 0 343.387 2.182 10 5 EEBERO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594042122 468469357 /nfs/dbraw/zinc/46/93/57/468469357.db2.gz GPSXCEOSVOKNBY-XIRDDKMYSA-N 1 0 338.404 2.272 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000341074250 466562595 /nfs/dbraw/zinc/56/25/95/466562595.db2.gz WQICWTBLTDWNHJ-OKILXGFUSA-N 1 0 335.404 2.353 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000354554004 466639629 /nfs/dbraw/zinc/63/96/29/466639629.db2.gz PNBWHWSLJQIRKL-UHFFFAOYSA-N 1 0 334.420 2.245 10 5 EEBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000415686402 466708565 /nfs/dbraw/zinc/70/85/65/466708565.db2.gz AFYPMJHCDPNXQE-UHFFFAOYSA-N 1 0 343.181 2.185 10 5 EEBERO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411571549 466845630 /nfs/dbraw/zinc/84/56/30/466845630.db2.gz QAPVKYJYSUCNDJ-SUMWQHHRSA-N 1 0 335.404 2.406 10 5 EEBERO Cc1ccc(C[N@H+](CCO)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000411659068 466868290 /nfs/dbraw/zinc/86/82/90/466868290.db2.gz FHJNLXWLOFNHOG-UHFFFAOYSA-N 1 0 347.371 2.319 10 5 EEBERO COC(=O)c1cnc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000373677732 466884953 /nfs/dbraw/zinc/88/49/53/466884953.db2.gz ABEWKKWOBKJINX-UHFFFAOYSA-N 1 0 334.376 2.205 10 5 EEBERO Cc1ncccc1OC[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000419400568 467195416 /nfs/dbraw/zinc/19/54/16/467195416.db2.gz MQONSXYTPCFNDK-CQSZACIVSA-N 1 0 331.376 2.038 10 5 EEBERO Cc1c(Br)c(N2C[C@@H](C)[C@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000380167546 467372321 /nfs/dbraw/zinc/37/23/21/467372321.db2.gz AODUYHJDOCGCGD-AMIZOPFISA-N 1 0 343.225 2.482 10 5 EEBERO CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000448957231 467607848 /nfs/dbraw/zinc/60/78/48/467607848.db2.gz USIPFKPSTUGTKZ-INIZCTEOSA-N 1 0 345.399 2.110 10 5 EEBERO COC(=O)Cc1ccc(NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000450434961 467850030 /nfs/dbraw/zinc/85/00/30/467850030.db2.gz CPECPSNYSRBXQA-UHFFFAOYSA-N 1 0 333.388 2.374 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000589502289 468158109 /nfs/dbraw/zinc/15/81/09/468158109.db2.gz SUCDMVACWKSWKV-CQSZACIVSA-N 1 0 347.415 2.299 10 5 EEBERO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+]1CCO ZINC000490047367 468189533 /nfs/dbraw/zinc/18/95/33/468189533.db2.gz SLSWNULGGPXASN-ZDUSSCGKSA-N 1 0 337.420 2.275 10 5 EEBERO CN(CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000600473947 468568499 /nfs/dbraw/zinc/56/84/99/468568499.db2.gz VECBRXZMHJNYIT-OAHLLOKOSA-N 1 0 346.431 2.164 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748492 468647210 /nfs/dbraw/zinc/64/72/10/468647210.db2.gz ODJRIEXGFACAEC-HDICACEKSA-N 1 0 346.431 2.163 10 5 EEBERO C[C@@H]1C[N@@H+](CCCCNc2ncc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601127485 468752743 /nfs/dbraw/zinc/75/27/43/468752743.db2.gz HMOYNKDENTZXDQ-TXEJJXNPSA-N 1 0 326.372 2.430 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000601131471 468755389 /nfs/dbraw/zinc/75/53/89/468755389.db2.gz LRBXNROWDRDNSD-DZGCQCFKSA-N 1 0 338.383 2.309 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1ccnc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000601185870 468775219 /nfs/dbraw/zinc/77/52/19/468775219.db2.gz WHOWOAKVRCSROW-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000595258650 468795401 /nfs/dbraw/zinc/79/54/01/468795401.db2.gz VBYYYQZSBVJFCG-INIZCTEOSA-N 1 0 342.355 2.211 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593208989 468904756 /nfs/dbraw/zinc/90/47/56/468904756.db2.gz DDEBXMFMLOWASF-UHFFFAOYSA-N 1 0 337.376 2.031 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000593356841 468949566 /nfs/dbraw/zinc/94/95/66/468949566.db2.gz UKGSUNVBZBDSBJ-UHFFFAOYSA-N 1 0 336.436 2.414 10 5 EEBERO C[C@@]12COC[C@]1(C)C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595687860 468956350 /nfs/dbraw/zinc/95/63/50/468956350.db2.gz DMDSGYYUVUSIIB-RYQLBKOJSA-N 1 0 345.399 2.059 10 5 EEBERO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000602729556 469038376 /nfs/dbraw/zinc/03/83/76/469038376.db2.gz VWQXQJRLCJXRSH-QZTJIDSGSA-N 1 0 328.368 2.261 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595905725 469075574 /nfs/dbraw/zinc/07/55/74/469075574.db2.gz RSDAWMKYOOWZDL-OAHLLOKOSA-N 1 0 325.384 2.277 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)cs1 ZINC000599008990 469087754 /nfs/dbraw/zinc/08/77/54/469087754.db2.gz WSKGCFUXUOMLIE-HNNXBMFYSA-N 1 0 348.428 2.042 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000599066496 469105747 /nfs/dbraw/zinc/10/57/47/469105747.db2.gz QMBULNFIXKTQRC-OXXUSNJHSA-N 1 0 334.416 2.436 10 5 EEBERO C[C@H]1C[C@@H](N2CCOCC2)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599082374 469110249 /nfs/dbraw/zinc/11/02/49/469110249.db2.gz QBKBPZJIKNOSEV-DZGCQCFKSA-N 1 0 342.399 2.442 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)c1 ZINC000601970366 469119519 /nfs/dbraw/zinc/11/95/19/469119519.db2.gz WNGVNXSSFSYDMP-NOLJZWGESA-N 1 0 348.428 2.065 10 5 EEBERO C[NH2+]C[C@@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000596034142 469124442 /nfs/dbraw/zinc/12/44/42/469124442.db2.gz XEOKIFBOVBHNBJ-SSDOTTSWSA-N 1 0 335.145 2.219 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]3COCC[C@H]31)OCCO2 ZINC000611285347 469220446 /nfs/dbraw/zinc/22/04/46/469220446.db2.gz GKDUTKPHNQSUES-GXTWGEPZSA-N 1 0 334.372 2.367 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000596362905 469251502 /nfs/dbraw/zinc/25/15/02/469251502.db2.gz PUKYTOZDOXQYJO-AWEZNQCLSA-N 1 0 345.447 2.249 10 5 EEBERO COc1cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)ccc1[N+](=O)[O-] ZINC000611517081 469270376 /nfs/dbraw/zinc/27/03/76/469270376.db2.gz TWIJLUSHSAWKHS-INIZCTEOSA-N 1 0 335.404 2.340 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000611616379 469293190 /nfs/dbraw/zinc/29/31/90/469293190.db2.gz JKAGUVUXSVHHJB-AWEZNQCLSA-N 1 0 333.436 2.187 10 5 EEBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599604009 469306001 /nfs/dbraw/zinc/30/60/01/469306001.db2.gz IQQIBZIOPDRKJI-WRWORJQWSA-N 1 0 343.181 2.229 10 5 EEBERO COC(=O)[C@@](C)(NCC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000599647210 469322646 /nfs/dbraw/zinc/32/26/46/469322646.db2.gz AFUDINDOOQMZES-YOEHRIQHSA-N 1 0 335.404 2.057 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000612121951 469399865 /nfs/dbraw/zinc/39/98/65/469399865.db2.gz YIBUAXZZNBIBBU-VXGBXAGGSA-N 1 0 346.330 2.038 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H]4COC[C@H]4C3)o2)cc1 ZINC000595829859 485609830 /nfs/dbraw/zinc/60/98/30/485609830.db2.gz IWKDBHDWVVBUMK-QWHCGFSZSA-N 1 0 330.344 2.113 10 5 EEBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451253858 536181528 /nfs/dbraw/zinc/18/15/28/536181528.db2.gz KEWDSWOUIKNAHN-CJNGLKHVSA-N 1 0 335.404 2.325 10 5 EEBERO O=[N+]([O-])c1cc2cnn(CN3CC[NH+](C4CC4)CC3)c2c(Cl)c1 ZINC000774627706 577407406 /nfs/dbraw/zinc/40/74/06/577407406.db2.gz SDZVYWNKKGDGDC-UHFFFAOYSA-N 1 0 335.795 2.335 10 5 EEBERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591527 577463642 /nfs/dbraw/zinc/46/36/42/577463642.db2.gz IUOPSDFXFQUQGF-HIFRSBDPSA-N 1 0 336.388 2.292 10 5 EEBERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000741118414 578113081 /nfs/dbraw/zinc/11/30/81/578113081.db2.gz QLQIOHQKAJKJAD-OAHLLOKOSA-N 1 0 340.351 2.248 10 5 EEBERO O=[N+]([O-])c1ccc(OCCN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261877585 681950471 /nfs/dbraw/zinc/95/04/71/681950471.db2.gz YBBCVRUCKMFROO-KRWDZBQOSA-N 1 0 328.372 2.015 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928433656 683113475 /nfs/dbraw/zinc/11/34/75/683113475.db2.gz AWPYVXULJNUTBD-SCZZXKLOSA-N 1 0 329.303 2.019 10 5 EEBERO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899988141 693954972 /nfs/dbraw/zinc/95/49/72/693954972.db2.gz YSDLEULSXMHERT-XJKSGUPXSA-N 1 0 332.404 2.140 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)[C@H]2C1 ZINC000897825868 691793795 /nfs/dbraw/zinc/79/37/95/691793795.db2.gz QLXNTWYTPWHWKE-DOMZBBRYSA-N 1 0 340.383 2.106 10 5 EEBERO CCO[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN(C)C ZINC000926958587 693043830 /nfs/dbraw/zinc/04/38/30/693043830.db2.gz GWCNJMGHSJVANJ-DOMZBBRYSA-N 1 0 327.400 2.221 10 5 EEBERO CC(C)(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001691429394 1178414609 /nfs/dbraw/zinc/41/46/09/1178414609.db2.gz BMQWCNJWMJIVEE-OKILXGFUSA-N 1 0 347.415 2.194 10 5 EEBERO COc1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001268607212 1183515340 /nfs/dbraw/zinc/51/53/40/1183515340.db2.gz JCOYWRJZCAOPSJ-IHWYPQMZSA-N 1 0 345.355 2.272 10 5 EEBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1ccn[nH]1 ZINC001482212611 1184164050 /nfs/dbraw/zinc/16/40/50/1184164050.db2.gz MZOCHOJBXQFIQR-UHFFFAOYSA-N 1 0 349.416 2.212 10 5 EEBERO Cc1ccc(CC[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1 ZINC001269545597 1184370364 /nfs/dbraw/zinc/37/03/64/1184370364.db2.gz WIVKYULUZMQGKU-IAGOWNOFSA-N 1 0 345.443 2.221 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cscn1 ZINC001483456761 1190485163 /nfs/dbraw/zinc/48/51/63/1190485163.db2.gz GBMZRMOVFDILOQ-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1COCCN1C ZINC000872090169 1198044584 /nfs/dbraw/zinc/04/45/84/1198044584.db2.gz MYFLAOKSUBVWON-YPMHNXCESA-N 1 0 325.434 2.298 10 5 EEBERO CCN(CC[NH2+]Cc1cccc(F)c1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273374563 1198391851 /nfs/dbraw/zinc/39/18/51/1198391851.db2.gz JZSJNNKVVFYQGH-DGCLKSJQSA-N 1 0 343.786 2.082 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672464 1201203470 /nfs/dbraw/zinc/20/34/70/1201203470.db2.gz XSIPDRWIWJECFA-VXGBXAGGSA-N 1 0 331.294 2.243 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@H+](C)C(C)(C)CC1 ZINC000866110059 1201435127 /nfs/dbraw/zinc/43/51/27/1201435127.db2.gz QDRJTPDNUDEZRF-UHFFFAOYSA-N 1 0 335.330 2.268 10 5 EEBERO COC(=O)c1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000866204812 1201463922 /nfs/dbraw/zinc/46/39/22/1201463922.db2.gz GHKHUFCKSIUHPX-SWLSCSKDSA-N 1 0 333.388 2.220 10 5 EEBERO C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881638721 1201732267 /nfs/dbraw/zinc/73/22/67/1201732267.db2.gz XBZSTFZQCLBTQD-CQSZACIVSA-N 1 0 340.383 2.270 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000928434565 1206382980 /nfs/dbraw/zinc/38/29/80/1206382980.db2.gz JCHVBALVUYSMMQ-IUODEOHRSA-N 1 0 340.383 2.479 10 5 EEBERO COc1ccc(NC(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000930774040 1206582005 /nfs/dbraw/zinc/58/20/05/1206582005.db2.gz TYVBNABXTWWGGW-UHFFFAOYSA-N 1 0 334.376 2.305 10 5 EEBERO CCO[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C[NH+](C)C ZINC000930863161 1206588377 /nfs/dbraw/zinc/58/83/77/1206588377.db2.gz NLOCSAZHIKERAX-ZDUSSCGKSA-N 1 0 338.408 2.300 10 5 EEBERO Cc1c(CONC(=[NH2+])[C@H]2CN(C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000779651473 1210713865 /nfs/dbraw/zinc/71/38/65/1210713865.db2.gz DBDXQGHNAIUTOU-OAHLLOKOSA-N 1 0 336.392 2.011 10 5 EEBERO O=C(CCC(F)F)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001491320622 1258949716 /nfs/dbraw/zinc/94/97/16/1258949716.db2.gz IVBYNVOLYPPEKB-VIKVFOODSA-N 1 0 339.342 2.187 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000852760195 1292189204 /nfs/dbraw/zinc/18/92/04/1292189204.db2.gz BUZPLCRBRFVPFB-CQSZACIVSA-N 1 0 325.384 2.277 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000858822936 1294236984 /nfs/dbraw/zinc/23/69/84/1294236984.db2.gz LKFBIZWCFOBELR-UHFFFAOYSA-N 1 0 334.420 2.379 10 5 EEBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000859667900 1294586532 /nfs/dbraw/zinc/58/65/32/1294586532.db2.gz PPAKWYQISABROU-OIBJUYFYSA-N 1 0 343.181 2.229 10 5 EEBERO CC[C@](O)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(F)(F)F ZINC001119854715 1309228302 /nfs/dbraw/zinc/22/83/02/1309228302.db2.gz FMGQAZXSHORZIT-LBPRGKRZSA-N 1 0 336.314 2.132 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841856120 1315624733 /nfs/dbraw/zinc/62/47/33/1315624733.db2.gz NKAUBDWOHIJLOK-TXEJJXNPSA-N 1 0 338.795 2.284 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[NH2+]C(C)C)c1 ZINC000842708190 1315758597 /nfs/dbraw/zinc/75/85/97/1315758597.db2.gz PBMAFDSRXONQIC-UHFFFAOYSA-N 1 0 349.840 2.223 10 5 EEBERO C[C@@]1(F)C[NH2+]CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000843124780 1315848487 /nfs/dbraw/zinc/84/84/87/1315848487.db2.gz GPTKFGMKZLEUDC-CYBMUJFWSA-N 1 0 346.200 2.491 10 5 EEBERO O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843361945 1315900928 /nfs/dbraw/zinc/90/09/28/1315900928.db2.gz VPHNFQHICOLDKP-GFCCVEGCSA-N 1 0 338.795 2.013 10 5 EEBERO CC(C)(C(=O)NC[C@@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC001158260888 1319121371 /nfs/dbraw/zinc/12/13/71/1319121371.db2.gz GPCPILSHSOXAEI-CQSZACIVSA-N 1 0 331.416 2.330 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC([NH2+]C3CCOCC3)C2)c2ncccc12 ZINC001164130928 1321298273 /nfs/dbraw/zinc/29/82/73/1321298273.db2.gz GDYOIAUEGROIFE-UHFFFAOYSA-N 1 0 328.372 2.100 10 5 EEBERO CC(C)OCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001265528762 1323206223 /nfs/dbraw/zinc/20/62/23/1323206223.db2.gz FFLOENBBIVPNCP-GASCZTMLSA-N 1 0 335.404 2.147 10 5 EEBERO CC(C)[C@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC001303528913 1331357843 /nfs/dbraw/zinc/35/78/43/1331357843.db2.gz SACLNHUYIPUDQN-MRXNPFEDSA-N 1 0 347.419 2.106 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001320970669 1332989951 /nfs/dbraw/zinc/98/99/51/1332989951.db2.gz MURCNJSIHBCDDT-WAYWQWQTSA-N 1 0 341.367 2.376 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncs1 ZINC001320986079 1332992315 /nfs/dbraw/zinc/99/23/15/1332992315.db2.gz LJFRTXKZFAFRHS-ONEGZZNKSA-N 1 0 332.385 2.127 10 5 EEBERO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCNc3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001347261783 1337500843 /nfs/dbraw/zinc/50/08/43/1337500843.db2.gz IYOAMTDCDFYAIM-KEYYUXOJSA-N 1 0 346.431 2.243 10 5 EEBERO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)C[C@H]2C1 ZINC001351530569 1337823336 /nfs/dbraw/zinc/82/33/36/1337823336.db2.gz CMTGMTQOHFKGAY-OKILXGFUSA-N 1 0 325.368 2.382 10 5 EEBERO COC(=O)c1ccnc(NCc2ccc3c[nH+]cn3c2)c1[N+](=O)[O-] ZINC001612461844 1352308282 /nfs/dbraw/zinc/30/82/82/1352308282.db2.gz KIPXTDSUYHWPKM-UHFFFAOYSA-N 1 0 327.300 2.036 10 5 EEBERO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001616328104 1352327737 /nfs/dbraw/zinc/32/77/37/1352327737.db2.gz JAGJUNRVIDZZOL-AZGDMVHKSA-N 1 0 331.416 2.162 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001620417372 1352359315 /nfs/dbraw/zinc/35/93/15/1352359315.db2.gz SCEUOZQXFWTEDQ-RSUWNVLCSA-N 1 0 333.388 2.015 10 5 EEBERO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001620616844 1352360949 /nfs/dbraw/zinc/36/09/49/1352360949.db2.gz MAJUQEGEWVGHRY-WBMJQRKESA-N 1 0 335.404 2.453 10 5 EEBERO CC(C)SCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001566782496 1342629686 /nfs/dbraw/zinc/62/96/86/1342629686.db2.gz ALYDGVVFHOIOEW-HDJSIYSDSA-N 1 0 337.445 2.473 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnco1 ZINC001570204290 1343032053 /nfs/dbraw/zinc/03/20/53/1343032053.db2.gz LTFSVLGHRSVZTI-UHFFFAOYSA-N 1 0 332.360 2.177 10 5 EEBERO C[NH+](C)C[C@@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001639765089 1352701506 /nfs/dbraw/zinc/70/15/06/1352701506.db2.gz HOGVTBLPVLVRSV-NSHDSACASA-N 1 0 345.359 2.439 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC001648557563 1353434297 /nfs/dbraw/zinc/43/42/97/1353434297.db2.gz YMDFESXSGPOPSC-MRXNPFEDSA-N 1 0 326.356 2.330 10 5 EEBERO O=[N+]([O-])c1c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)nc2sccn21 ZINC001655796527 1354185429 /nfs/dbraw/zinc/18/54/29/1354185429.db2.gz XCCLNRAUJMNQDB-ZDUSSCGKSA-N 1 0 343.412 2.325 10 5 EEBERO CCC1(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001663304539 1354946655 /nfs/dbraw/zinc/94/66/55/1354946655.db2.gz KWSLEEDMAXNRAI-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)C(C)(C)C ZINC001673425273 1355032218 /nfs/dbraw/zinc/03/22/18/1355032218.db2.gz FKTHAFBPFGCFDS-UHFFFAOYSA-N 1 0 349.431 2.490 10 5 EEBERO CCc1cccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001663985615 1355067536 /nfs/dbraw/zinc/06/75/36/1355067536.db2.gz DBHZCUZPBYNCMQ-UHFFFAOYSA-N 1 0 342.399 2.414 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccncc1F ZINC001668392816 1355933152 /nfs/dbraw/zinc/93/31/52/1355933152.db2.gz LGFKRKRVGKULAG-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CCc1oncc1C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001669070300 1356082806 /nfs/dbraw/zinc/08/28/06/1356082806.db2.gz RWMVIKXXRIOTRT-ARJAWSKDSA-N 1 0 344.371 2.221 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC1(O)CCC1 ZINC001673434039 1356690375 /nfs/dbraw/zinc/69/03/75/1356690375.db2.gz CAYZTULSWAHIQA-UHFFFAOYSA-N 1 0 349.431 2.180 10 5 EEBERO CC(C)=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001699689477 1405443172 /nfs/dbraw/zinc/44/31/72/1405443172.db2.gz UNXNMQZRWMWQCW-IAGOWNOFSA-N 1 0 335.448 2.321 10 5 EEBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000912648240 788280665 /nfs/dbraw/zinc/28/06/65/788280665.db2.gz FFMPIOBYHYNVHQ-FRFSOERESA-N 1 0 349.431 2.350 10 5 EEBERO COc1ccc(CC(=O)N2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000913398795 788839584 /nfs/dbraw/zinc/83/95/84/788839584.db2.gz PBFILZDMQWZEOS-UHFFFAOYSA-N 1 0 335.404 2.089 10 5 EEBERO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)CC[C@H]1F ZINC000923394560 789488570 /nfs/dbraw/zinc/48/85/70/789488570.db2.gz DOOVSOLCDHGQPJ-VXGBXAGGSA-N 1 0 332.173 2.228 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001565946390 1125470843 /nfs/dbraw/zinc/47/08/43/1125470843.db2.gz RRZVLFMLTSFRAL-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO O=C(CCn1cccc1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001480229165 1099852802 /nfs/dbraw/zinc/85/28/02/1099852802.db2.gz VTQZJPUMRYBZQW-OKILXGFUSA-N 1 0 348.428 2.285 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)n1C ZINC001497348031 1102365216 /nfs/dbraw/zinc/36/52/16/1102365216.db2.gz AXEIWTVALPSUFW-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO CCc1nc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001498538974 1107688833 /nfs/dbraw/zinc/68/88/33/1107688833.db2.gz GGHACZMSKRZYEL-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO Cc1ccccc1C[N@H+]1CCCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001458098826 1109832183 /nfs/dbraw/zinc/83/21/83/1109832183.db2.gz VEOIDMZHOKVOMD-UHFFFAOYSA-N 1 0 329.404 2.349 10 5 EEBERO CCOC(=O)c1ccnc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC001458454383 1109875622 /nfs/dbraw/zinc/87/56/22/1109875622.db2.gz PDOLLQFLQYVELC-VXGBXAGGSA-N 1 0 336.392 2.307 10 5 EEBERO O=C1OCC[C@]12CC[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC001460970184 1110330656 /nfs/dbraw/zinc/33/06/56/1110330656.db2.gz DCQCSIHQBBMJLF-KRWDZBQOSA-N 1 0 343.339 2.389 10 5 EEBERO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001466903485 1110446262 /nfs/dbraw/zinc/44/62/62/1110446262.db2.gz PVKWTWFAFXUSKI-GUYCJALGSA-N 1 0 345.399 2.201 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C(C)(C)C1 ZINC001472029718 1110539175 /nfs/dbraw/zinc/53/91/75/1110539175.db2.gz VAANTTKSNYRLTN-OAHLLOKOSA-N 1 0 331.416 2.473 10 5 EEBERO CCc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@@H](C)[NH+](C)C ZINC001546421491 1120515483 /nfs/dbraw/zinc/51/54/83/1120515483.db2.gz HSIHNNYQIJITCW-CYBMUJFWSA-N 1 0 346.435 2.335 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccc(C)nn1 ZINC001568741109 1124754457 /nfs/dbraw/zinc/75/44/57/1124754457.db2.gz MYEKVBVQGGFPIC-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO [NH3+]CCc1cnn(Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000054740865 214252819 /nfs/dbraw/zinc/25/28/19/214252819.db2.gz MPONQLRQGZHNCH-UHFFFAOYSA-N 1 0 325.166 2.103 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ncn(CN3CCO[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000230118809 242233745 /nfs/dbraw/zinc/23/37/45/242233745.db2.gz FLCJJXOAGAQLIH-HZPDHXFCSA-N 1 0 343.387 2.454 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451590611 243168377 /nfs/dbraw/zinc/16/83/77/243168377.db2.gz ZQVVXWJGSFEHEK-GLQYFDAESA-N 1 0 349.387 2.243 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451900866 243300925 /nfs/dbraw/zinc/30/09/25/243300925.db2.gz MIIWCZOLHKUNLO-CXAGYDPISA-N 1 0 333.388 2.424 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000246774213 243311983 /nfs/dbraw/zinc/31/19/83/243311983.db2.gz AYOMCBVWTGVRHT-DOMZBBRYSA-N 1 0 343.387 2.313 10 5 EEBERO CNc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017508 218186158 /nfs/dbraw/zinc/18/61/58/218186158.db2.gz LTAWJAXSCXVOGL-INIZCTEOSA-N 1 0 348.447 2.181 10 5 EEBERO Cc1ccc(F)c(C[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000095409660 218346455 /nfs/dbraw/zinc/34/64/55/218346455.db2.gz MEQHFCXGBVYLRB-SJORKVTESA-N 1 0 334.347 2.226 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000153609287 224129165 /nfs/dbraw/zinc/12/91/65/224129165.db2.gz LVNGEWLARZIVRG-LLVKDONJSA-N 1 0 342.193 2.133 10 5 EEBERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000118792208 221184054 /nfs/dbraw/zinc/18/40/54/221184054.db2.gz QPVIBUDPONXJJG-LLVKDONJSA-N 1 0 342.783 2.043 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([NH+](C)C)CC1 ZINC000127988076 292334159 /nfs/dbraw/zinc/33/41/59/292334159.db2.gz LAWHYEUVCAYNQC-UHFFFAOYSA-N 1 0 334.420 2.258 10 5 EEBERO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000245905242 160256386 /nfs/dbraw/zinc/25/63/86/160256386.db2.gz QQCRHTFNYCIKBX-HIFRSBDPSA-N 1 0 343.387 2.056 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000246839484 160296900 /nfs/dbraw/zinc/29/69/00/160296900.db2.gz BKUNHTRYDMQDOQ-YPMHNXCESA-N 1 0 343.387 2.170 10 5 EEBERO O=C1c2ccccc2C(=O)N1CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344095094 161198132 /nfs/dbraw/zinc/19/81/32/161198132.db2.gz SDKKZZILEFTRLG-UHFFFAOYSA-N 1 0 339.351 2.023 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348223883 161486379 /nfs/dbraw/zinc/48/63/79/161486379.db2.gz YIRYJKRKUNXPEL-CQSZACIVSA-N 1 0 332.404 2.010 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000261985579 287360269 /nfs/dbraw/zinc/36/02/69/287360269.db2.gz XGAWADKQURGLNC-IUODEOHRSA-N 1 0 346.431 2.298 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122700073 222140152 /nfs/dbraw/zinc/14/01/52/222140152.db2.gz DJMHLGQOPBUXAC-UWVGGRQHSA-N 1 0 327.331 2.428 10 5 EEBERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171674366 227212692 /nfs/dbraw/zinc/21/26/92/227212692.db2.gz UPAZXMQYMVYPKN-QGZVFWFLSA-N 1 0 327.384 2.384 10 5 EEBERO Cc1sc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000278469472 274360821 /nfs/dbraw/zinc/36/08/21/274360821.db2.gz JRNVIDVMKQCAHJ-LLVKDONJSA-N 1 0 341.433 2.195 10 5 EEBERO Cc1cc(N2CC[NH2+]C[C@@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420269260 274708919 /nfs/dbraw/zinc/70/89/19/274708919.db2.gz SYRITRDEWIZTKM-QGZVFWFLSA-N 1 0 345.378 2.498 10 5 EEBERO C[NH+](C)C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052554416 276767653 /nfs/dbraw/zinc/76/76/53/276767653.db2.gz NWLIHNPYUQJIQO-HNNXBMFYSA-N 1 0 343.383 2.393 10 5 EEBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418610104 313860183 /nfs/dbraw/zinc/86/01/83/313860183.db2.gz FNOJFWDHHZMWOW-BLLLJJGKSA-N 1 0 332.404 2.267 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575915625 320124557 /nfs/dbraw/zinc/12/45/57/320124557.db2.gz DSFIOMDFIUXTOC-MRXNPFEDSA-N 1 0 337.807 2.393 10 5 EEBERO CCOc1cc(C(=O)N(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000181987140 323361389 /nfs/dbraw/zinc/36/13/89/323361389.db2.gz DYBWMHFTYVJZHZ-UHFFFAOYSA-N 1 0 339.392 2.026 10 5 EEBERO Cc1cnn(CC[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000105881600 463486197 /nfs/dbraw/zinc/48/61/97/463486197.db2.gz ZDMGAPPEZNACBA-CYBMUJFWSA-N 1 0 331.376 2.025 10 5 EEBERO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000262110559 463949334 /nfs/dbraw/zinc/94/93/34/463949334.db2.gz AUWLWAMGLKUNAY-QGZVFWFLSA-N 1 0 328.372 2.015 10 5 EEBERO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000272052963 464462297 /nfs/dbraw/zinc/46/22/97/464462297.db2.gz QSHCJKPQCICSJS-UHFFFAOYSA-N 1 0 345.197 2.477 10 5 EEBERO CC(C)Oc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591083818 468405708 /nfs/dbraw/zinc/40/57/08/468405708.db2.gz VJEANMDGGXWXMH-HIFRSBDPSA-N 1 0 333.388 2.158 10 5 EEBERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182898837 464753902 /nfs/dbraw/zinc/75/39/02/464753902.db2.gz ALUMKNYYIBINEK-MLGOLLRUSA-N 1 0 329.356 2.245 10 5 EEBERO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000249713060 464905744 /nfs/dbraw/zinc/90/57/44/464905744.db2.gz ZEKOTXKTSXXAFB-FZMZJTMJSA-N 1 0 335.404 2.467 10 5 EEBERO O=C(CN1CCO[C@H]2CCCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000249736377 464910711 /nfs/dbraw/zinc/91/07/11/464910711.db2.gz FRQYSADRQCUVDP-SJORKVTESA-N 1 0 345.399 2.127 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000351897539 465426870 /nfs/dbraw/zinc/42/68/70/465426870.db2.gz PLECRDRXHRGCAQ-AWEZNQCLSA-N 1 0 335.404 2.484 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)N(C)CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000359553906 465451820 /nfs/dbraw/zinc/45/18/20/465451820.db2.gz VBHLTUQLMPNYBD-AWEZNQCLSA-N 1 0 348.447 2.465 10 5 EEBERO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000366204252 465592402 /nfs/dbraw/zinc/59/24/02/465592402.db2.gz URTMZNNEUQASAK-HNNXBMFYSA-N 1 0 340.383 2.384 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000366632938 465844614 /nfs/dbraw/zinc/84/46/14/465844614.db2.gz ROJKSZGXFFGTBT-SWLSCSKDSA-N 1 0 333.388 2.208 10 5 EEBERO CN(C)c1ncccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569350908 468477824 /nfs/dbraw/zinc/47/78/24/468477824.db2.gz BATANXSXURLXLB-UHFFFAOYSA-N 1 0 343.387 2.174 10 5 EEBERO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000357850567 466263532 /nfs/dbraw/zinc/26/35/32/466263532.db2.gz AKWAXQYHZDPSHY-WBMJQRKESA-N 1 0 345.403 2.058 10 5 EEBERO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347003244 466311577 /nfs/dbraw/zinc/31/15/77/466311577.db2.gz GBTKZZXTPUSIGR-AWEZNQCLSA-N 1 0 332.404 2.092 10 5 EEBERO COc1ccc(NC(=O)CC[N@H+](C[C@@H](C)O)C(C)C)c([N+](=O)[O-])c1 ZINC000411277917 466798014 /nfs/dbraw/zinc/79/80/14/466798014.db2.gz NXMHBGMZQLVTEG-GFCCVEGCSA-N 1 0 339.392 2.023 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088695 467041985 /nfs/dbraw/zinc/04/19/85/467041985.db2.gz KVMNEBNYHOLSHC-UFBFGSQYSA-N 1 0 346.309 2.245 10 5 EEBERO CC(C)(NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418776342 467158345 /nfs/dbraw/zinc/15/83/45/467158345.db2.gz XCSJDVMLEXHJOX-LBPRGKRZSA-N 1 0 342.346 2.126 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402439 467395817 /nfs/dbraw/zinc/39/58/17/467395817.db2.gz QHXVBBXRFNDSGR-YOEHRIQHSA-N 1 0 346.431 2.306 10 5 EEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590443730 468258322 /nfs/dbraw/zinc/25/83/22/468258322.db2.gz GMIXLPDOCFSOMC-INMHGKMJSA-N 1 0 331.416 2.326 10 5 EEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590446581 468259287 /nfs/dbraw/zinc/25/92/87/468259287.db2.gz UWFAHOGXNSICRD-FZMZJTMJSA-N 1 0 335.429 2.483 10 5 EEBERO C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594502348 468610361 /nfs/dbraw/zinc/61/03/61/468610361.db2.gz ZJDPZBVYUNYCKZ-VXGBXAGGSA-N 1 0 344.458 2.242 10 5 EEBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000592184306 468647957 /nfs/dbraw/zinc/64/79/57/468647957.db2.gz IWSAIRKKENVAKK-ZDUSSCGKSA-N 1 0 331.294 2.095 10 5 EEBERO CO[C@@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000583199294 468659885 /nfs/dbraw/zinc/65/98/85/468659885.db2.gz ILPGGDZWYXCZCR-LBPRGKRZSA-N 1 0 349.309 2.480 10 5 EEBERO CN(C)CC[NH2+]Cc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600795056 468659886 /nfs/dbraw/zinc/65/98/86/468659886.db2.gz WODQDFVRNFINQJ-UHFFFAOYSA-N 1 0 343.427 2.448 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592463832 468702897 /nfs/dbraw/zinc/70/28/97/468702897.db2.gz WVOAXZNGINYSOX-ZBFHGGJFSA-N 1 0 342.399 2.009 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601104101 468742736 /nfs/dbraw/zinc/74/27/36/468742736.db2.gz PHBKBTHAWZSZIC-QMMMGPOBSA-N 1 0 333.314 2.243 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601204836 468780284 /nfs/dbraw/zinc/78/02/84/468780284.db2.gz SGHRNSUXCWNWOV-UHFFFAOYSA-N 1 0 338.383 2.210 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220894 468797047 /nfs/dbraw/zinc/79/70/47/468797047.db2.gz QVYOTJKENIORHQ-ZDUSSCGKSA-N 1 0 332.404 2.435 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000593075129 468860843 /nfs/dbraw/zinc/86/08/43/468860843.db2.gz LIPPXQWUMYTGHY-DOMZBBRYSA-N 1 0 337.395 2.465 10 5 EEBERO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000598531823 468903022 /nfs/dbraw/zinc/90/30/22/468903022.db2.gz QGXZGOOJTBPAFI-CMPLNLGQSA-N 1 0 325.796 2.390 10 5 EEBERO CC[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536794 468905001 /nfs/dbraw/zinc/90/50/01/468905001.db2.gz XFXJUYQTPYRVPQ-WCQYABFASA-N 1 0 332.404 2.382 10 5 EEBERO COC(=O)c1ccnc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000598588491 468924243 /nfs/dbraw/zinc/92/42/43/468924243.db2.gz AQGKHAXMMKIMCX-UHFFFAOYSA-N 1 0 334.376 2.063 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595635484 468932700 /nfs/dbraw/zinc/93/27/00/468932700.db2.gz VJZWYFIKYDSKEU-YWPYICTPSA-N 1 0 326.368 2.390 10 5 EEBERO COC(=O)c1ccnc(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000598632604 468939843 /nfs/dbraw/zinc/93/98/43/468939843.db2.gz GUNMCNQSPKRTPP-UHFFFAOYSA-N 1 0 334.376 2.205 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595746206 468984825 /nfs/dbraw/zinc/98/48/25/468984825.db2.gz VDYWTYWYFRVWFI-PBKGOJFUSA-N 1 0 335.404 2.181 10 5 EEBERO [NH3+]CC12CC(C1)CN2C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000595941932 469093446 /nfs/dbraw/zinc/09/34/46/469093446.db2.gz DSYTZGVSBKFMTK-UHFFFAOYSA-N 1 0 344.396 2.282 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595961349 469098265 /nfs/dbraw/zinc/09/82/65/469098265.db2.gz KOYQEPSWKJSKGO-INIZCTEOSA-N 1 0 331.416 2.376 10 5 EEBERO Cn1nccc1[C@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599057237 469102762 /nfs/dbraw/zinc/10/27/62/469102762.db2.gz XZMMYXWNMATIPC-KBMXLJTQSA-N 1 0 344.415 2.363 10 5 EEBERO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1OC ZINC000595988106 469107484 /nfs/dbraw/zinc/10/74/84/469107484.db2.gz OAAIFWKXEIAGJO-GFCCVEGCSA-N 1 0 339.392 2.105 10 5 EEBERO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c2c(c1)COCO2 ZINC000573806676 469210305 /nfs/dbraw/zinc/21/03/05/469210305.db2.gz DETIXOQQDMCYQN-OAHLLOKOSA-N 1 0 334.372 2.341 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)N(c2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000611538332 469274642 /nfs/dbraw/zinc/27/46/42/469274642.db2.gz MVIQHGHEKZBKOV-UHFFFAOYSA-N 1 0 343.387 2.069 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599640804 469320064 /nfs/dbraw/zinc/32/00/64/469320064.db2.gz XICMERGHTCCPBQ-KBXCAEBGSA-N 1 0 347.415 2.326 10 5 EEBERO CCOc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000599683224 469336084 /nfs/dbraw/zinc/33/60/84/469336084.db2.gz QGOGLQRLEAAGBO-DOMZBBRYSA-N 1 0 348.359 2.305 10 5 EEBERO CC1(C)C[C@@H]([NH2+]CCC2CS(=O)(=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618988265 469488732 /nfs/dbraw/zinc/48/87/32/469488732.db2.gz GUJFXFIYWVOAJJ-OAHLLOKOSA-N 1 0 338.429 2.342 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2[nH+]ccn2c1 ZINC000610032578 469975767 /nfs/dbraw/zinc/97/57/67/469975767.db2.gz KTCDREMVVLBDME-UHFFFAOYSA-N 1 0 332.341 2.352 10 5 EEBERO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000532392629 485543083 /nfs/dbraw/zinc/54/30/83/485543083.db2.gz RJKPSSANFXKGBR-ZDUSSCGKSA-N 1 0 328.372 2.240 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000597206763 485615562 /nfs/dbraw/zinc/61/55/62/485615562.db2.gz VMNGWJRSYGUSQW-KRWDZBQOSA-N 1 0 336.388 2.349 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C1 ZINC000411560209 527741974 /nfs/dbraw/zinc/74/19/74/527741974.db2.gz XELBJRXFWNYYFJ-ZDUSSCGKSA-N 1 0 335.404 2.454 10 5 EEBERO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C ZINC000116371934 535926059 /nfs/dbraw/zinc/92/60/59/535926059.db2.gz PMROAZOICPFPEN-JTQLQIEISA-N 1 0 349.478 2.301 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000776272767 577456173 /nfs/dbraw/zinc/45/61/73/577456173.db2.gz VZPAVDCGLYLXKD-LSDHHAIUSA-N 1 0 330.340 2.058 10 5 EEBERO CCO[C@@H](CC[NH+](C)C)CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752528750 577772252 /nfs/dbraw/zinc/77/22/52/577772252.db2.gz XATHCZCQLCFINZ-VSOYFRJCSA-N 1 0 349.431 2.471 10 5 EEBERO Cc1cc(F)cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000753095815 577781493 /nfs/dbraw/zinc/78/14/93/577781493.db2.gz WAEOHTDXZLIALI-UHFFFAOYSA-N 1 0 335.339 2.053 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000747208986 577940931 /nfs/dbraw/zinc/94/09/31/577940931.db2.gz BUNWIBRFMFLOEX-NSHDSACASA-N 1 0 327.356 2.001 10 5 EEBERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000735889878 578172470 /nfs/dbraw/zinc/17/24/70/578172470.db2.gz FXXDDVHTRQZUTA-MRXNPFEDSA-N 1 0 336.388 2.037 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000866921337 686615006 /nfs/dbraw/zinc/61/50/06/686615006.db2.gz QRSFTGLKCDMSDT-WDEREUQCSA-N 1 0 347.462 2.116 10 5 EEBERO CC(C)(C)OCC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266586696 1176894402 /nfs/dbraw/zinc/89/44/02/1176894402.db2.gz HHUMEIDKDAGWMB-HAQNSBGRSA-N 1 0 341.433 2.208 10 5 EEBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cscn1 ZINC001481163466 1179962658 /nfs/dbraw/zinc/96/26/58/1179962658.db2.gz VTQJLVLKRSMBAE-UHFFFAOYSA-N 1 0 346.412 2.446 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cscn1 ZINC001268482276 1182934503 /nfs/dbraw/zinc/93/45/03/1182934503.db2.gz OMDUQGWBZWGBFO-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO COCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269951700 1184739555 /nfs/dbraw/zinc/73/95/55/1184739555.db2.gz LZZYPZFMCZUMLC-SHTZXODSSA-N 1 0 335.404 2.148 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841892443 1188129156 /nfs/dbraw/zinc/12/91/56/1188129156.db2.gz YRXJFAUYLBIUAW-NWDGAFQWSA-N 1 0 327.812 2.135 10 5 EEBERO CN(C)c1cc[nH+]c(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC001626021986 1190970782 /nfs/dbraw/zinc/97/07/82/1190970782.db2.gz NHUPCIRYMKOMRU-UHFFFAOYSA-N 1 0 336.298 2.264 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCCS2)c1 ZINC000872223339 1198096361 /nfs/dbraw/zinc/09/63/61/1198096361.db2.gz GZZFAIVFDBXCPD-DZGCQCFKSA-N 1 0 326.418 2.210 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CC[C@H]21 ZINC000866207447 1201464828 /nfs/dbraw/zinc/46/48/28/1201464828.db2.gz IXTPQSWJIRODOU-MWLCHTKSSA-N 1 0 341.209 2.283 10 5 EEBERO C[C@@H]1CC[C@H](CO)N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880438486 1201488845 /nfs/dbraw/zinc/48/88/45/1201488845.db2.gz JXHCWGAPAWVXQX-MWLCHTKSSA-N 1 0 327.768 2.032 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1CCO ZINC000866367048 1201501146 /nfs/dbraw/zinc/50/11/46/1201501146.db2.gz VAZWETQIDSOFME-XJKSGUPXSA-N 1 0 339.411 2.101 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000881996448 1201800491 /nfs/dbraw/zinc/80/04/91/1201800491.db2.gz VMPCIIVWRRQHOR-UHFFFAOYSA-N 1 0 347.415 2.346 10 5 EEBERO CCc1ncoc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001276220840 1205841750 /nfs/dbraw/zinc/84/17/50/1205841750.db2.gz IAAIXGOAPHTRLB-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CCCOCC3)CC2)c(F)c1 ZINC000931288489 1206622283 /nfs/dbraw/zinc/62/22/83/1206622283.db2.gz LHEXRXLOYMPWNB-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000802142115 1236988149 /nfs/dbraw/zinc/98/81/49/1236988149.db2.gz WRGPIQGACUUPBX-CJNGLKHVSA-N 1 0 336.388 2.351 10 5 EEBERO O=C(CC[NH2+][C@@H]1CCCn2nccc21)Nc1ccccc1[N+](=O)[O-] ZINC001197239346 1284515661 /nfs/dbraw/zinc/51/56/61/1284515661.db2.gz NPNDXCWCDNFKDZ-GFCCVEGCSA-N 1 0 329.360 2.245 10 5 EEBERO Cc1[nH]nc(C(=O)NCC=CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001273919328 1289840815 /nfs/dbraw/zinc/84/08/15/1289840815.db2.gz PNAGRTLKUFYBHK-ONEGZZNKSA-N 1 0 343.387 2.011 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000852760655 1292189616 /nfs/dbraw/zinc/18/96/16/1292189616.db2.gz KOQDXFKXWWAKTJ-OAHLLOKOSA-N 1 0 325.384 2.277 10 5 EEBERO CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C)C1 ZINC000855360833 1293188978 /nfs/dbraw/zinc/18/89/78/1293188978.db2.gz PCBYVIXERDZBAK-LLVKDONJSA-N 1 0 343.786 2.482 10 5 EEBERO CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@H+](CC)C1 ZINC000855490723 1293230183 /nfs/dbraw/zinc/23/01/83/1293230183.db2.gz KMFVAVCRDLHCSH-LBPRGKRZSA-N 1 0 339.367 2.055 10 5 EEBERO CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000855490722 1293230929 /nfs/dbraw/zinc/23/09/29/1293230929.db2.gz KMFVAVCRDLHCSH-GFCCVEGCSA-N 1 0 339.367 2.055 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000856427847 1293524059 /nfs/dbraw/zinc/52/40/59/1293524059.db2.gz HHCZJZBMHKZBMU-PYUISTEWSA-N 1 0 347.415 2.177 10 5 EEBERO C[C@@H]([NH3+])CN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000859686360 1294599236 /nfs/dbraw/zinc/59/92/36/1294599236.db2.gz VWHPCOPHYOWCQJ-SSDOTTSWSA-N 1 0 331.170 2.168 10 5 EEBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000859829293 1294662762 /nfs/dbraw/zinc/66/27/62/1294662762.db2.gz PCJMMVGGRIXIAT-IDYSPNNHSA-N 1 0 339.367 2.464 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@]2(C)C1 ZINC000931315093 1297130566 /nfs/dbraw/zinc/13/05/66/1297130566.db2.gz UHEYSXDOLZFCNN-IRXDYDNUSA-N 1 0 329.404 2.245 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cncc(F)c1 ZINC001277035825 1300972131 /nfs/dbraw/zinc/97/21/31/1300972131.db2.gz FEWQROKATUQKIC-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO CC[C@H]1[C@H](CO)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839610596 1315219766 /nfs/dbraw/zinc/21/97/66/1315219766.db2.gz OYGIRJKRZGAGGR-GWCFXTLKSA-N 1 0 341.795 2.280 10 5 EEBERO CC(C)(C)C(=O)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001280471034 1324241833 /nfs/dbraw/zinc/24/18/33/1324241833.db2.gz LUXMLOKRUKKNLC-UHFFFAOYSA-N 1 0 347.415 2.339 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001290124262 1328146402 /nfs/dbraw/zinc/14/64/02/1328146402.db2.gz AFWKFIPRJZXFNV-ZDUSSCGKSA-N 1 0 334.401 2.392 10 5 EEBERO CC[N@H+](CCCNC(=O)C1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001316883707 1331950442 /nfs/dbraw/zinc/95/04/42/1331950442.db2.gz INTGESXANVCRJW-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2(C)CCC2)CCCC1 ZINC001319368303 1332691695 /nfs/dbraw/zinc/69/16/95/1332691695.db2.gz FRCWMGKDUHDGHW-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001620605218 1352361020 /nfs/dbraw/zinc/36/10/20/1352361020.db2.gz CNXJZDMZSDNUHB-CHWSQXEVSA-N 1 0 349.387 2.197 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001620549864 1344403729 /nfs/dbraw/zinc/40/37/29/1344403729.db2.gz TWAKMQLHQZHOLE-CYBMUJFWSA-N 1 0 345.403 2.076 10 5 EEBERO Cc1cccc(Cl)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668822006 1356012768 /nfs/dbraw/zinc/01/27/68/1356012768.db2.gz UTFUWFDEJBEUEU-QADGWQRPSA-N 1 0 337.807 2.076 10 5 EEBERO O=C(CC1CC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001671920913 1356438683 /nfs/dbraw/zinc/43/86/83/1356438683.db2.gz DGFIWVXXJWDHFA-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO Cc1nocc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001673206084 1356654038 /nfs/dbraw/zinc/65/40/38/1356654038.db2.gz MVYPPNKSUKDWHY-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO COCCN(CC[NH+](C)C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445439 759970955 /nfs/dbraw/zinc/97/09/55/759970955.db2.gz BJDWPHVJXJSXOW-YPKPFQOOSA-N 1 0 335.404 2.035 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001135672580 784224456 /nfs/dbraw/zinc/22/44/56/784224456.db2.gz BRNDXOPBSKPYCX-INIZCTEOSA-N 1 0 334.420 2.243 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923384932 789469785 /nfs/dbraw/zinc/46/97/85/789469785.db2.gz QBBFBRZSEVRXIB-ZWKOTPCHSA-N 1 0 327.384 2.186 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001147111879 791708192 /nfs/dbraw/zinc/70/81/92/791708192.db2.gz RYBWHGBWHZCSGI-SNVBAGLBSA-N 1 0 340.811 2.433 10 5 EEBERO CC(C)[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001148133487 792180172 /nfs/dbraw/zinc/18/01/72/792180172.db2.gz VINJWJPXANYQCK-ZDUSSCGKSA-N 1 0 325.796 2.247 10 5 EEBERO C[C@H]1[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000921839161 796901564 /nfs/dbraw/zinc/90/15/64/796901564.db2.gz XVKFMHYODWLPHK-GWCFXTLKSA-N 1 0 340.811 2.183 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001447750897 1103232385 /nfs/dbraw/zinc/23/23/85/1103232385.db2.gz WEMUEBRVVRUSME-ZFWWWQNUSA-N 1 0 347.415 2.305 10 5 EEBERO C[C@@H]1Cc2n[nH]cc2C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001460781108 1110323778 /nfs/dbraw/zinc/32/37/78/1110323778.db2.gz WWAAOSHBLHBLFV-GFCCVEGCSA-N 1 0 343.387 2.341 10 5 EEBERO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001464607631 1110398284 /nfs/dbraw/zinc/39/82/84/1110398284.db2.gz FTCQAAXHLWOVHH-UHFFFAOYSA-N 1 0 334.420 2.492 10 5 EEBERO CC[N@H+]1[C@H](C)CN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001473599720 1110577452 /nfs/dbraw/zinc/57/74/52/1110577452.db2.gz QIMLKTQFQSFRPC-BETUJISGSA-N 1 0 335.404 2.296 10 5 EEBERO C[N@H+](CCCC(C)(C)C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001506957491 1115005268 /nfs/dbraw/zinc/00/52/68/1115005268.db2.gz PXOFHXKFOFOEES-HUUCEWRRSA-N 1 0 325.453 2.401 10 5 EEBERO O=C(Oc1cc2c(cc1[N+](=O)[O-])OCCO2)C12CCC[NH+](CCC1)C2 ZINC001520418747 1119159138 /nfs/dbraw/zinc/15/91/38/1119159138.db2.gz VVEBXNGWDXBMOT-UHFFFAOYSA-N 1 0 348.355 2.147 10 5 EEBERO CC(C)(C)[NH2+]CCC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC001520658512 1119185212 /nfs/dbraw/zinc/18/52/12/1119185212.db2.gz QREFLZYIXQCSCL-UHFFFAOYSA-N 1 0 331.376 2.497 10 5 EEBERO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000069133132 215362363 /nfs/dbraw/zinc/36/23/63/215362363.db2.gz ZUWXOEOZTRAFPB-DTORHVGOSA-N 1 0 342.193 2.180 10 5 EEBERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC12COC2 ZINC000451131897 243009810 /nfs/dbraw/zinc/00/98/10/243009810.db2.gz HSPXDFVUVLBQFR-CZUORRHYSA-N 1 0 348.399 2.476 10 5 EEBERO CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000245773450 243153685 /nfs/dbraw/zinc/15/36/85/243153685.db2.gz SGCAHHUXTSJHHZ-FJVHFBRSSA-N 1 0 333.432 2.385 10 5 EEBERO COc1ccc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000079489377 217232811 /nfs/dbraw/zinc/23/28/11/217232811.db2.gz NWHGMTKWTPEGMM-CQSZACIVSA-N 1 0 349.431 2.289 10 5 EEBERO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000184612961 255934756 /nfs/dbraw/zinc/93/47/56/255934756.db2.gz VAYNEHHSKRFOKV-JTQLQIEISA-N 1 0 335.360 2.430 10 5 EEBERO COc1ccnc(NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000191691949 152267513 /nfs/dbraw/zinc/26/75/13/152267513.db2.gz KVRVUMIWNOZRHE-UHFFFAOYSA-N 1 0 343.387 2.470 10 5 EEBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]12 ZINC000248582079 160351401 /nfs/dbraw/zinc/35/14/01/160351401.db2.gz FMIVFUHYWPSUPY-UHOFOFEASA-N 1 0 344.415 2.004 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000261763459 160414754 /nfs/dbraw/zinc/41/47/54/160414754.db2.gz JULJTJSFJPEBBE-OKILXGFUSA-N 1 0 333.388 2.065 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000076492473 159087301 /nfs/dbraw/zinc/08/73/01/159087301.db2.gz QDKHGHUAVMVAPE-ZIAGYGMSSA-N 1 0 335.404 2.162 10 5 EEBERO CCOCC[N@@H+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)C[C@H]1CC ZINC000192568504 160172012 /nfs/dbraw/zinc/17/20/12/160172012.db2.gz OMVHRBHXSGELIB-CQSZACIVSA-N 1 0 339.440 2.057 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247284718 160318632 /nfs/dbraw/zinc/31/86/32/160318632.db2.gz GBZWDMHODIRRQP-BBRMVZONSA-N 1 0 335.404 2.162 10 5 EEBERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342280455 161053315 /nfs/dbraw/zinc/05/33/15/161053315.db2.gz MOUSDWDCWNDREO-OAHLLOKOSA-N 1 0 341.358 2.214 10 5 EEBERO COc1ccc(OCC[NH2+][C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000352033710 162039248 /nfs/dbraw/zinc/03/92/48/162039248.db2.gz VSMSTRRRHPDUGR-CYBMUJFWSA-N 1 0 338.385 2.367 10 5 EEBERO O=C(NCCc1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCCCC2)C1 ZINC000353990817 162770880 /nfs/dbraw/zinc/77/08/80/162770880.db2.gz PUOPUTDRJNLLNY-UHFFFAOYSA-N 1 0 346.431 2.453 10 5 EEBERO CCN1CC[NH+](C[C@@H](C)CNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359079012 164052555 /nfs/dbraw/zinc/05/25/55/164052555.db2.gz AJYDIPAWYMCRJD-ZDUSSCGKSA-N 1 0 335.452 2.292 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375345938 167116994 /nfs/dbraw/zinc/11/69/94/167116994.db2.gz WIINPBXEEGYRDE-MRXNPFEDSA-N 1 0 333.388 2.343 10 5 EEBERO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCCO1 ZINC000130449781 274246387 /nfs/dbraw/zinc/24/63/87/274246387.db2.gz ZLMDSPPEVXYGBX-QMTHXVAHSA-N 1 0 325.340 2.220 10 5 EEBERO C[N@@H+]1CC[C@]2(CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1 ZINC000292058947 275369587 /nfs/dbraw/zinc/36/95/87/275369587.db2.gz CIHZDQMCRTVWDJ-KRWDZBQOSA-N 1 0 343.387 2.172 10 5 EEBERO Cc1cnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000095974198 292912913 /nfs/dbraw/zinc/91/29/13/292912913.db2.gz PYRJATUYYPEWFR-OAHLLOKOSA-N 1 0 334.420 2.379 10 5 EEBERO COC(=O)c1cc(C)nc(NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000283415534 292939463 /nfs/dbraw/zinc/93/94/63/292939463.db2.gz BHAGWMWVJJWKRL-UHFFFAOYSA-N 1 0 336.392 2.371 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295366245 293697542 /nfs/dbraw/zinc/69/75/42/293697542.db2.gz ZLZJYTCYTLGLQU-AWEZNQCLSA-N 1 0 337.376 2.089 10 5 EEBERO O=C(NC[C@H]1CCC[NH2+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415702879 313168871 /nfs/dbraw/zinc/16/88/71/313168871.db2.gz QEFHEFDLCHUWMR-SECBINFHSA-N 1 0 343.181 2.231 10 5 EEBERO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415705687 313169836 /nfs/dbraw/zinc/16/98/36/313169836.db2.gz UBPCNWZTBDCVAR-RQJHMYQMSA-N 1 0 331.170 2.215 10 5 EEBERO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000554858214 318575908 /nfs/dbraw/zinc/57/59/08/318575908.db2.gz LOXWEDFKOSHCHY-CYBMUJFWSA-N 1 0 335.408 2.046 10 5 EEBERO COc1ccc(OCCN2CC3CCC2(C[NH3+])CC3)c([N+](=O)[O-])c1 ZINC000566480304 319293601 /nfs/dbraw/zinc/29/36/01/319293601.db2.gz MXQUIQZPPRCQJS-UHFFFAOYSA-N 1 0 335.404 2.186 10 5 EEBERO Cc1oc2ccccc2c1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566851694 319326669 /nfs/dbraw/zinc/32/66/69/319326669.db2.gz URSSPJQCWVSWOM-CQSZACIVSA-N 1 0 344.371 2.039 10 5 EEBERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1CC ZINC000116768218 462773378 /nfs/dbraw/zinc/77/33/78/462773378.db2.gz XABYTEDEHTUXCH-MRXNPFEDSA-N 1 0 349.431 2.097 10 5 EEBERO CCOC(=O)c1ccnc(NCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000077928860 463072507 /nfs/dbraw/zinc/07/25/07/463072507.db2.gz MKMDLWMBEFFQQO-LBPRGKRZSA-N 1 0 336.392 2.453 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134845141 463086810 /nfs/dbraw/zinc/08/68/10/463086810.db2.gz JTLJSSHZXJVMFI-CYBMUJFWSA-N 1 0 341.795 2.089 10 5 EEBERO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccncc1 ZINC000097084004 463319019 /nfs/dbraw/zinc/31/90/19/463319019.db2.gz SWVXQVYGXYPJSL-LBPRGKRZSA-N 1 0 326.356 2.230 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000058561866 463609139 /nfs/dbraw/zinc/60/91/39/463609139.db2.gz QTBQPEWRZQAPFL-ZDUSSCGKSA-N 1 0 341.433 2.056 10 5 EEBERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000108782762 463623656 /nfs/dbraw/zinc/62/36/56/463623656.db2.gz QQXYIIYJJZYIEJ-LLVKDONJSA-N 1 0 328.372 2.290 10 5 EEBERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182929983 464760622 /nfs/dbraw/zinc/76/06/22/464760622.db2.gz DOLUZYIRXUHGBO-DOMZBBRYSA-N 1 0 329.356 2.245 10 5 EEBERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282432817 464818011 /nfs/dbraw/zinc/81/80/11/464818011.db2.gz RLRWAOQMMMENHL-KWQFWETISA-N 1 0 342.193 2.114 10 5 EEBERO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000371235938 465660817 /nfs/dbraw/zinc/66/08/17/465660817.db2.gz NATCUUCBHLTKJR-GJZGRUSLSA-N 1 0 346.431 2.022 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000554859434 468446816 /nfs/dbraw/zinc/44/68/16/468446816.db2.gz KVIWNUBERIAROQ-MFKMUULPSA-N 1 0 349.416 2.192 10 5 EEBERO CC(C)[N@@H+]1CCCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362577731 465845603 /nfs/dbraw/zinc/84/56/03/465845603.db2.gz BLDUHKIAXMRFGW-UHFFFAOYSA-N 1 0 341.358 2.358 10 5 EEBERO COc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1[N+](=O)[O-] ZINC000338361325 466059990 /nfs/dbraw/zinc/05/99/90/466059990.db2.gz RJKHULHUJWLQKV-ZDUSSCGKSA-N 1 0 343.387 2.355 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000597210060 468480466 /nfs/dbraw/zinc/48/04/66/468480466.db2.gz TZMXEJIZSOYJDP-VNHYZAJKSA-N 1 0 340.445 2.471 10 5 EEBERO COC(=O)c1cc(N2CCC(C[NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000354375884 466517664 /nfs/dbraw/zinc/51/76/64/466517664.db2.gz COWLSHTXXCOCFW-UHFFFAOYSA-N 1 0 335.404 2.468 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000341056375 466547945 /nfs/dbraw/zinc/54/79/45/466547945.db2.gz JDDKMVNQJVICPI-ZIAGYGMSSA-N 1 0 335.404 2.353 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000341063624 466555213 /nfs/dbraw/zinc/55/52/13/466555213.db2.gz RGYUXFRAAIKNQN-OKILXGFUSA-N 1 0 334.420 2.386 10 5 EEBERO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000372804183 466595470 /nfs/dbraw/zinc/59/54/70/466595470.db2.gz FEWIRSGPFVZHSI-CABCVRRESA-N 1 0 347.415 2.484 10 5 EEBERO COc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000324370335 466646504 /nfs/dbraw/zinc/64/65/04/466646504.db2.gz KOCKYCNLQBCUFM-KGLIPLIRSA-N 1 0 333.388 2.208 10 5 EEBERO C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411322872 466807648 /nfs/dbraw/zinc/80/76/48/466807648.db2.gz DHMJSMQPAFRPAF-BBRMVZONSA-N 1 0 334.420 2.338 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413104 467400121 /nfs/dbraw/zinc/40/01/21/467400121.db2.gz ZRDMDWWKIMHMDK-LSDHHAIUSA-N 1 0 346.431 2.306 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+]CC[C@@](C)(O)COC)cc1[N+](=O)[O-] ZINC000453245466 467469486 /nfs/dbraw/zinc/46/94/86/467469486.db2.gz BWQCDARKPZBTDS-BLLLJJGKSA-N 1 0 326.393 2.432 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000449433988 467644650 /nfs/dbraw/zinc/64/46/50/467644650.db2.gz OSSJYPCGMWDPQM-RIEWGPACSA-N 1 0 332.400 2.470 10 5 EEBERO COc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000590376086 468242268 /nfs/dbraw/zinc/24/22/68/468242268.db2.gz UOLNOSMATZBKFD-UHFFFAOYSA-N 1 0 333.388 2.161 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590445671 468259507 /nfs/dbraw/zinc/25/95/07/468259507.db2.gz RIVIKFFHZRGSIR-SLEUVZQESA-N 1 0 335.429 2.238 10 5 EEBERO C[C@H]1CC[N@H+](CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000594359905 468561869 /nfs/dbraw/zinc/56/18/69/468561869.db2.gz RDDJMAUDJMFQKT-LBPRGKRZSA-N 1 0 330.388 2.077 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000594405566 468574027 /nfs/dbraw/zinc/57/40/27/468574027.db2.gz XLRYQOVVUBSMRH-VDISTLRHSA-N 1 0 343.387 2.055 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1nccc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000591992104 468592265 /nfs/dbraw/zinc/59/22/65/468592265.db2.gz OBVGLZSVMKMKAP-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO CC(C)(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000594525982 468615621 /nfs/dbraw/zinc/61/56/21/468615621.db2.gz ZJUPXVIURGOLPJ-JTQLQIEISA-N 1 0 334.298 2.019 10 5 EEBERO [NH3+]C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000600677835 468618581 /nfs/dbraw/zinc/61/85/81/468618581.db2.gz JCSCBEHDPFQHBS-UHFFFAOYSA-N 1 0 331.372 2.452 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000597696041 468642201 /nfs/dbraw/zinc/64/22/01/468642201.db2.gz VAEMIELGRDPAEG-DOTOQJQBSA-N 1 0 347.415 2.147 10 5 EEBERO C[C@@]1(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594733280 468667036 /nfs/dbraw/zinc/66/70/36/468667036.db2.gz UERQCNUXQAOTLX-GXTWGEPZSA-N 1 0 330.331 2.360 10 5 EEBERO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCNC2=O)cc1[N+](=O)[O-] ZINC000594967731 468733484 /nfs/dbraw/zinc/73/34/84/468733484.db2.gz UZAYPMIEBKQNRC-HNNXBMFYSA-N 1 0 340.383 2.341 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000571364321 468776627 /nfs/dbraw/zinc/77/66/27/468776627.db2.gz AYSZFPLLKMBLEG-DZGCQCFKSA-N 1 0 336.779 2.083 10 5 EEBERO Nc1c(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595225285 468788891 /nfs/dbraw/zinc/78/88/91/468788891.db2.gz MIJFLNTYHMNINJ-OCCSQVGLSA-N 1 0 332.404 2.171 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592899497 468818939 /nfs/dbraw/zinc/81/89/39/468818939.db2.gz TWTAEUAXAHLBKY-UHFFFAOYSA-N 1 0 347.415 2.148 10 5 EEBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601554909 468915885 /nfs/dbraw/zinc/91/58/85/468915885.db2.gz AWEGXALBRPOTJA-IUODEOHRSA-N 1 0 335.429 2.287 10 5 EEBERO COc1cccc([C@@]2(C)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000595763479 468995193 /nfs/dbraw/zinc/99/51/93/468995193.db2.gz FFTUZINVTCKAJI-KRWDZBQOSA-N 1 0 330.388 2.464 10 5 EEBERO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000610733163 469053445 /nfs/dbraw/zinc/05/34/45/469053445.db2.gz ZXKCZLQKGCMZFA-OAHLLOKOSA-N 1 0 347.415 2.312 10 5 EEBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)[C@H]3CCCO3)cs2)c1 ZINC000598990391 469079632 /nfs/dbraw/zinc/07/96/32/469079632.db2.gz MVXCFQYZCOLKOD-HUUCEWRRSA-N 1 0 349.412 2.348 10 5 EEBERO Nc1cc(N2CC[NH+](Cc3cccs3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587010189 469084796 /nfs/dbraw/zinc/08/47/96/469084796.db2.gz LBHMNGKROZUSRT-UHFFFAOYSA-N 1 0 348.428 2.053 10 5 EEBERO CC[NH+]1CCN(CCNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000596077221 469143605 /nfs/dbraw/zinc/14/36/05/469143605.db2.gz RDPCSVBMTSGCKK-UHFFFAOYSA-N 1 0 329.404 2.192 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599165756 469144827 /nfs/dbraw/zinc/14/48/27/469144827.db2.gz RZVZLZQPMIUPLT-AWEZNQCLSA-N 1 0 332.404 2.383 10 5 EEBERO O=[N+]([O-])c1ccc2nc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccc2c1 ZINC000596539348 469296490 /nfs/dbraw/zinc/29/64/90/469296490.db2.gz OXHNFLCOKTUTRI-MRXNPFEDSA-N 1 0 342.399 2.178 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c2ncccc12 ZINC000596540917 469297091 /nfs/dbraw/zinc/29/70/91/469297091.db2.gz WGOUUHDSWLBBHX-CQSZACIVSA-N 1 0 342.399 2.178 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cs1 ZINC000604082095 469456450 /nfs/dbraw/zinc/45/64/50/469456450.db2.gz QKQTUEHDWMLMDX-CQSZACIVSA-N 1 0 325.434 2.343 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186868284 534091514 /nfs/dbraw/zinc/09/15/14/534091514.db2.gz NSAYMYBMSKULIW-ZYHUDNBSSA-N 1 0 341.795 2.131 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000729919257 576690773 /nfs/dbraw/zinc/69/07/73/576690773.db2.gz CECWHYFWZCTJRG-ZDUSSCGKSA-N 1 0 332.404 2.019 10 5 EEBERO O=C1COc2cc([N+](=O)[O-])c(NC[C@H]3CCCC[N@@H+]3C3CC3)cc2N1 ZINC000764942081 577491392 /nfs/dbraw/zinc/49/13/92/577491392.db2.gz RFSSPJVKTLBISM-GFCCVEGCSA-N 1 0 346.387 2.355 10 5 EEBERO COCCN(CC[NH+](C)C)C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752031765 577764913 /nfs/dbraw/zinc/76/49/13/577764913.db2.gz YKMVSSAWBRMZON-BUHFOSPRSA-N 1 0 335.404 2.035 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000756888193 577852477 /nfs/dbraw/zinc/85/24/77/577852477.db2.gz OCRZXTSHMVEACI-DOMZBBRYSA-N 1 0 331.376 2.106 10 5 EEBERO Cc1c(Br)c(NC[C@@H]2C[NH2+]C[C@H]2C)ncc1[N+](=O)[O-] ZINC000723828238 676745133 /nfs/dbraw/zinc/74/51/33/676745133.db2.gz DUEQPYJOPKETBU-APPZFPTMSA-N 1 0 329.198 2.328 10 5 EEBERO COC(=O)[C@@H]1[C@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000894679817 683021870 /nfs/dbraw/zinc/02/18/70/683021870.db2.gz UHLVKLUJTBVIGG-STQMWFEESA-N 1 0 328.315 2.123 10 5 EEBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC001480974831 1179407009 /nfs/dbraw/zinc/40/70/09/1179407009.db2.gz XSNKOFZINBOSHK-BXUZGUMPSA-N 1 0 343.786 2.082 10 5 EEBERO O=C(Cc1cncs1)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001268551904 1183238160 /nfs/dbraw/zinc/23/81/60/1183238160.db2.gz LGHUONAPRZKLNH-ARJAWSKDSA-N 1 0 346.412 2.056 10 5 EEBERO COCC(=O)N1CCC(CC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001271758909 1186464244 /nfs/dbraw/zinc/46/42/44/1186464244.db2.gz JEMBRCPECXVVOQ-UHFFFAOYSA-N 1 0 349.431 2.302 10 5 EEBERO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC001626825335 1187382434 /nfs/dbraw/zinc/38/24/34/1187382434.db2.gz ABUPQMBSWRTTHX-UHFFFAOYSA-N 1 0 341.799 2.062 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899936593 1188654214 /nfs/dbraw/zinc/65/42/14/1188654214.db2.gz AYDKPUDOIHORJZ-UHFFFAOYSA-N 1 0 333.388 2.261 10 5 EEBERO Cc1conc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001484658839 1191460831 /nfs/dbraw/zinc/46/08/31/1191460831.db2.gz PWNLJKBSVQCRLL-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO Cc1c(Br)c(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ncc1[N+](=O)[O-] ZINC000703558927 1196537655 /nfs/dbraw/zinc/53/76/55/1196537655.db2.gz VWEDJZVGPCAJPJ-TVQRCGJNSA-N 1 0 341.209 2.106 10 5 EEBERO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872038193 1198033147 /nfs/dbraw/zinc/03/31/47/1198033147.db2.gz LGMUXOUOUOHPKL-QWHCGFSZSA-N 1 0 325.384 2.353 10 5 EEBERO C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000870789745 1200881698 /nfs/dbraw/zinc/88/16/98/1200881698.db2.gz JJOMUBADQYLVGN-QWHCGFSZSA-N 1 0 338.408 2.333 10 5 EEBERO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCC1(C)C ZINC000871153867 1201073373 /nfs/dbraw/zinc/07/33/73/1201073373.db2.gz VJKBIUPRHNFSOC-UHFFFAOYSA-N 1 0 344.415 2.492 10 5 EEBERO COC(=O)c1cnc(NC2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000866147052 1201446416 /nfs/dbraw/zinc/44/64/16/1201446416.db2.gz HXRUCNRKVZZBBP-UHFFFAOYSA-N 1 0 336.392 2.451 10 5 EEBERO COc1cc(CN2CCc3[nH+]ccc(N)c3C2)c([N+](=O)[O-])cc1F ZINC000931518539 1207403657 /nfs/dbraw/zinc/40/36/57/1207403657.db2.gz LFDZLZBCMSHDTL-UHFFFAOYSA-N 1 0 332.335 2.278 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000903529307 1240812634 /nfs/dbraw/zinc/81/26/34/1240812634.db2.gz VIRZSXAKFVEROD-LBPRGKRZSA-N 1 0 340.811 2.261 10 5 EEBERO [NH3+][C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000903536296 1240837284 /nfs/dbraw/zinc/83/72/84/1240837284.db2.gz YGSCKZOBDCFDLG-CHWSQXEVSA-N 1 0 333.310 2.185 10 5 EEBERO O=C(N[C@H]1C[C@@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001491017205 1258573465 /nfs/dbraw/zinc/57/34/65/1258573465.db2.gz DVHHHLHSHVYJLW-YCBWMULKSA-N 1 0 349.818 2.255 10 5 EEBERO Cc1c(C[NH+]2CCC(Cc3nncn3C)CC2)cccc1[N+](=O)[O-] ZINC001197946930 1284907581 /nfs/dbraw/zinc/90/75/81/1284907581.db2.gz GYOIWGHHPOSSLC-UHFFFAOYSA-N 1 0 329.404 2.486 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000853774897 1292447482 /nfs/dbraw/zinc/44/74/82/1292447482.db2.gz YRHOOOQMVBGXGN-LBPRGKRZSA-N 1 0 342.415 2.426 10 5 EEBERO CC(C)(CCC[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765617 1293910800 /nfs/dbraw/zinc/91/08/00/1293910800.db2.gz IPEQWWCLCABKBJ-UHFFFAOYSA-N 1 0 331.319 2.200 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000927149561 1297037333 /nfs/dbraw/zinc/03/73/33/1297037333.db2.gz HIUDEAGNFVXCDL-TZMCWYRMSA-N 1 0 329.404 2.192 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000841529252 1315572062 /nfs/dbraw/zinc/57/20/62/1315572062.db2.gz FOOFWTKUDUGBFC-UHFFFAOYSA-N 1 0 349.840 2.175 10 5 EEBERO C[C@]1(F)C[NH2+]CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000843124781 1315848684 /nfs/dbraw/zinc/84/86/84/1315848684.db2.gz GPTKFGMKZLEUDC-ZDUSSCGKSA-N 1 0 346.200 2.491 10 5 EEBERO Cc1cccc(CCC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)c1 ZINC001280480535 1324247507 /nfs/dbraw/zinc/24/75/07/1324247507.db2.gz RKTQWXAMWBQNRA-IAGOWNOFSA-N 1 0 345.443 2.221 10 5 EEBERO Cc1ccn(C)c1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001322482831 1333269807 /nfs/dbraw/zinc/26/98/07/1333269807.db2.gz KBTCRSURUOVQNH-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001347726709 1337519732 /nfs/dbraw/zinc/51/97/32/1337519732.db2.gz CLDRLVYPHKSNDR-FPMFFAJLSA-N 1 0 348.403 2.455 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC001349693713 1337639440 /nfs/dbraw/zinc/63/94/40/1337639440.db2.gz LWKXFYPRZYHGAV-XNJJOIOASA-N 1 0 342.399 2.075 10 5 EEBERO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001620567863 1352360506 /nfs/dbraw/zinc/36/05/06/1352360506.db2.gz SEGOOSQECLIATJ-UHFFFAOYSA-N 1 0 343.387 2.055 10 5 EEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001436339151 1342040833 /nfs/dbraw/zinc/04/08/33/1342040833.db2.gz KLRURWQPCHIQLF-INMHGKMJSA-N 1 0 331.416 2.326 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC001558503798 1342479298 /nfs/dbraw/zinc/47/92/98/1342479298.db2.gz RIMNMDZMHRMYNB-HNNXBMFYSA-N 1 0 330.388 2.075 10 5 EEBERO C[C@H]1C[C@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC001559122383 1342497838 /nfs/dbraw/zinc/49/78/38/1342497838.db2.gz FKHYFKCUOHZQDH-WDEREUQCSA-N 1 0 345.359 2.368 10 5 EEBERO C[C@H]1C[C@@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC001559122382 1342498174 /nfs/dbraw/zinc/49/81/74/1342498174.db2.gz FKHYFKCUOHZQDH-QWRGUYRKSA-N 1 0 345.359 2.368 10 5 EEBERO Cc1c[nH]cc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001569430482 1342869053 /nfs/dbraw/zinc/86/90/53/1342869053.db2.gz DMLSPOLAMFJYSG-UHFFFAOYSA-N 1 0 328.372 2.284 10 5 EEBERO O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001624156935 1352415257 /nfs/dbraw/zinc/41/52/57/1352415257.db2.gz STYKDGQMLKDXSR-BRWVUGGUSA-N 1 0 331.416 2.213 10 5 EEBERO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001633132519 1352606384 /nfs/dbraw/zinc/60/63/84/1352606384.db2.gz NNKANAWUFUNIRD-GFCCVEGCSA-N 1 0 328.372 2.154 10 5 EEBERO C[NH+](C)C[C@H]1CCN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001639765088 1352701393 /nfs/dbraw/zinc/70/13/93/1352701393.db2.gz HOGVTBLPVLVRSV-LLVKDONJSA-N 1 0 345.359 2.439 10 5 EEBERO O=[N+]([O-])c1ccc2nc(N3CC([NH2+]C4CCOCC4)C3)sc2c1 ZINC001643179363 1352741654 /nfs/dbraw/zinc/74/16/54/1352741654.db2.gz BOQLSNIUIWTTJI-UHFFFAOYSA-N 1 0 334.401 2.162 10 5 EEBERO CC[NH+](CC)CCSCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001646259788 1352824468 /nfs/dbraw/zinc/82/44/68/1352824468.db2.gz QODVOQUIRPJYGA-UHFFFAOYSA-N 1 0 340.449 2.499 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)on1 ZINC001668357627 1355928791 /nfs/dbraw/zinc/92/87/91/1355928791.db2.gz UEJCCYKMQHFKSE-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC001668702994 1355990448 /nfs/dbraw/zinc/99/04/48/1355990448.db2.gz XPUHGGXYQVKGRQ-AATRIKPKSA-N 1 0 342.399 2.318 10 5 EEBERO COc1ccc(C[N+]23CCN(CC2)CC3)c(Br)c1OC ZINC000055051047 717130378 /nfs/dbraw/zinc/13/03/78/717130378.db2.gz QKCILDNOVMFYRC-UHFFFAOYSA-N 1 0 342.257 2.112 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906675815 784072133 /nfs/dbraw/zinc/07/21/33/784072133.db2.gz GKSXCTVHXSRXAE-ZDUSSCGKSA-N 1 0 325.796 2.391 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000908346860 785339435 /nfs/dbraw/zinc/33/94/35/785339435.db2.gz ILXBLGVRRPXUAE-PELKAZGASA-N 1 0 327.743 2.163 10 5 EEBERO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)n1C ZINC000823093884 787540954 /nfs/dbraw/zinc/54/09/54/787540954.db2.gz JOJRAUTUPIRXCU-VWYCJHECSA-N 1 0 332.364 2.280 10 5 EEBERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823973798 788005020 /nfs/dbraw/zinc/00/50/20/788005020.db2.gz LZWLACDFFGKKSH-UHFFFAOYSA-N 1 0 335.408 2.419 10 5 EEBERO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912900212 788460379 /nfs/dbraw/zinc/46/03/79/788460379.db2.gz HVMFPKBPHWRLKU-SNVBAGLBSA-N 1 0 327.743 2.308 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@]2(C)C1 ZINC000913293392 788770798 /nfs/dbraw/zinc/77/07/98/788770798.db2.gz NROAGRZGMWMYMC-HDICACEKSA-N 1 0 342.399 2.490 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@H](CCCO)C2)o1 ZINC001171118344 789013415 /nfs/dbraw/zinc/01/34/15/789013415.db2.gz JYAGLBNTYURVPG-GFCCVEGCSA-N 1 0 332.360 2.239 10 5 EEBERO O=C(C[NH2+][C@@H]1CCOCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC001176966137 798661655 /nfs/dbraw/zinc/66/16/55/798661655.db2.gz UVNYNXIPQIBGDQ-OAHLLOKOSA-N 1 0 333.388 2.472 10 5 EEBERO Cc1conc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001566506623 1125675533 /nfs/dbraw/zinc/67/55/33/1125675533.db2.gz RKLDQKIOVBRPOK-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)CCC1 ZINC001480153436 1099723828 /nfs/dbraw/zinc/72/38/28/1099723828.db2.gz RNKQDIXICJXQRQ-JOCQHMNTSA-N 1 0 349.435 2.036 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001545988761 1101290243 /nfs/dbraw/zinc/29/02/43/1101290243.db2.gz SDXDPNQAOMTXQR-ZDUSSCGKSA-N 1 0 334.420 2.275 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)c1ccn[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001493850597 1108734635 /nfs/dbraw/zinc/73/46/35/1108734635.db2.gz CNBUXIMQWSBVAW-UHFFFAOYSA-N 1 0 345.403 2.348 10 5 EEBERO COc1cccc(C[C@H]2CN(c3ncc([N+](=O)[O-])cc3C)CC[NH2+]2)c1 ZINC001472906340 1110565727 /nfs/dbraw/zinc/56/57/27/1110565727.db2.gz HCZAWKIVHXQOLZ-HNNXBMFYSA-N 1 0 342.399 2.328 10 5 EEBERO CC(C)[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)O ZINC001473456497 1110575662 /nfs/dbraw/zinc/57/56/62/1110575662.db2.gz DEOOQSNNJHYMHJ-CABCVRRESA-N 1 0 335.404 2.085 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@H]2CCOC23CCCCC3)c([N+](=O)[O-])c1 ZINC001473856725 1110582323 /nfs/dbraw/zinc/58/23/23/1110582323.db2.gz QRHGNZVAQUHEFZ-HNNXBMFYSA-N 1 0 333.388 2.275 10 5 EEBERO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc([N+](=O)[O-])c1 ZINC001517922029 1119047127 /nfs/dbraw/zinc/04/71/27/1119047127.db2.gz IYFOMXKPJCTCPV-HNNXBMFYSA-N 1 0 348.403 2.278 10 5 EEBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001521000548 1119207611 /nfs/dbraw/zinc/20/76/11/1119207611.db2.gz OVZPEVYHFPXLTO-NSHDSACASA-N 1 0 338.364 2.353 10 5 EEBERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001540940485 1124097357 /nfs/dbraw/zinc/09/73/57/1124097357.db2.gz RENRZCXDULVNSK-UWVGGRQHSA-N 1 0 343.815 2.069 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC001543063834 1124119899 /nfs/dbraw/zinc/11/98/99/1124119899.db2.gz LYKGURWKSFMBDY-INIZCTEOSA-N 1 0 334.420 2.417 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC001543869748 1124135803 /nfs/dbraw/zinc/13/58/03/1124135803.db2.gz ZCCUIXAPWGNPPC-CQSZACIVSA-N 1 0 332.404 2.246 10 5 EEBERO CO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000451681366 243203748 /nfs/dbraw/zinc/20/37/48/243203748.db2.gz OLROYNNHODFFOT-BETUJISGSA-N 1 0 330.344 2.030 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451919739 243316949 /nfs/dbraw/zinc/31/69/49/243316949.db2.gz ZYVLJSYFDVMIOH-GWCFXTLKSA-N 1 0 334.294 2.219 10 5 EEBERO Cn1cnc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000459656001 245200289 /nfs/dbraw/zinc/20/02/89/245200289.db2.gz GYARHTPZYSZJBA-UHFFFAOYSA-N 1 0 340.387 2.061 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@](O)(CO)C3)o2)c1 ZINC000459665006 245201193 /nfs/dbraw/zinc/20/11/93/245201193.db2.gz BMYUGOVBUAOMBD-QGZVFWFLSA-N 1 0 332.356 2.174 10 5 EEBERO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000354082583 153096254 /nfs/dbraw/zinc/09/62/54/153096254.db2.gz NLNLAURZBZVDMG-UHFFFAOYSA-N 1 0 343.330 2.362 10 5 EEBERO Cc1cccc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000193562672 160183253 /nfs/dbraw/zinc/18/32/53/160183253.db2.gz OZJPJBQTHSFIFO-CQSZACIVSA-N 1 0 347.415 2.229 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c([N+](=O)[O-])c1 ZINC000194443372 160194591 /nfs/dbraw/zinc/19/45/91/160194591.db2.gz SHHBSFTXBMTDIZ-ZBFHGGJFSA-N 1 0 329.312 2.251 10 5 EEBERO CCN1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000341794865 161013973 /nfs/dbraw/zinc/01/39/73/161013973.db2.gz DLSGUPZQIJYZKX-SNVBAGLBSA-N 1 0 343.330 2.362 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000343673206 161157433 /nfs/dbraw/zinc/15/74/33/161157433.db2.gz QJAQBOSIJIHNBM-GHMZBOCLSA-N 1 0 341.358 2.357 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CO)c1ccsc1 ZINC000352022992 162033103 /nfs/dbraw/zinc/03/31/03/162033103.db2.gz SSJRRJPZTQBUIG-AWEZNQCLSA-N 1 0 335.385 2.226 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](CCO)CC1CC1 ZINC000352491509 162155595 /nfs/dbraw/zinc/15/55/95/162155595.db2.gz QPWMYKVZDLUKBT-SNVBAGLBSA-N 1 0 341.795 2.280 10 5 EEBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c2c(c1)COCO2 ZINC000355101012 163080453 /nfs/dbraw/zinc/08/04/53/163080453.db2.gz BTOCVXMOYBXVJS-MLGOLLRUSA-N 1 0 334.372 2.462 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc(C3CC[NH2+]CC3)n2C)n1 ZINC000359095036 164057433 /nfs/dbraw/zinc/05/74/33/164057433.db2.gz MBUMCMPBBXTRCK-UHFFFAOYSA-N 1 0 348.432 2.353 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000279566495 269288954 /nfs/dbraw/zinc/28/89/54/269288954.db2.gz ZBGGXBJFJGDVKD-QMTHXVAHSA-N 1 0 338.383 2.118 10 5 EEBERO COc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000275488930 274251774 /nfs/dbraw/zinc/25/17/74/274251774.db2.gz KIEHZRJXVLUPCY-LLVKDONJSA-N 1 0 341.383 2.024 10 5 EEBERO CC1(C)OCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295247803 293660687 /nfs/dbraw/zinc/66/06/87/293660687.db2.gz QBBBXTFFJFWPOB-GFCCVEGCSA-N 1 0 327.768 2.344 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]([NH+]4CCCC4)CC3)nn21 ZINC000301990771 294917870 /nfs/dbraw/zinc/91/78/70/294917870.db2.gz MJUAVTAAGJYLMU-ZDUSSCGKSA-N 1 0 330.392 2.092 10 5 EEBERO C[C@@H](O)[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000414593728 313044928 /nfs/dbraw/zinc/04/49/28/313044928.db2.gz RGAUOJZLXXLYRK-PXAZEXFGSA-N 1 0 332.356 2.436 10 5 EEBERO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](O)CC1 ZINC000439305810 315072914 /nfs/dbraw/zinc/07/29/14/315072914.db2.gz WFJHPRUDTTXTMB-MQMHXKEQSA-N 1 0 349.387 2.128 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000525107150 317039285 /nfs/dbraw/zinc/03/92/85/317039285.db2.gz NKQQFOLJERGNLW-IUODEOHRSA-N 1 0 334.420 2.439 10 5 EEBERO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000543610991 318163687 /nfs/dbraw/zinc/16/36/87/318163687.db2.gz CCFSHSFKJKFISN-UHFFFAOYSA-N 1 0 329.422 2.053 10 5 EEBERO C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000251614512 464937112 /nfs/dbraw/zinc/93/71/12/464937112.db2.gz DPPDKYNCHMZGSI-LDYMZIIASA-N 1 0 329.198 2.139 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358447220 465128028 /nfs/dbraw/zinc/12/80/28/465128028.db2.gz ZKSPJCQCGFOLAN-UHFFFAOYSA-N 1 0 334.376 2.377 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000590663870 468299381 /nfs/dbraw/zinc/29/93/81/468299381.db2.gz ZUCDFYBVJOTKES-HNNXBMFYSA-N 1 0 335.404 2.296 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[N@@H+](C4CC4)CC3)n2)c1 ZINC000061041220 462574952 /nfs/dbraw/zinc/57/49/52/462574952.db2.gz HFQUHBAGTKGFGS-UHFFFAOYSA-N 1 0 343.387 2.315 10 5 EEBERO CC(C)[NH+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000064243958 462690923 /nfs/dbraw/zinc/69/09/23/462690923.db2.gz HLZXKDXNYIWXHU-UHFFFAOYSA-N 1 0 335.451 2.053 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000124866760 463473941 /nfs/dbraw/zinc/47/39/41/463473941.db2.gz LQFNLAPJJKRPCD-UHFFFAOYSA-N 1 0 348.447 2.001 10 5 EEBERO Cn1c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)ccc1[N+](=O)[O-] ZINC000262002353 463922687 /nfs/dbraw/zinc/92/26/87/463922687.db2.gz GIXPSFMKPMSGDN-UHFFFAOYSA-N 1 0 335.389 2.109 10 5 EEBERO COc1cc(C[NH2+]CC2(CO)CC3(CCC3)C2)c([N+](=O)[O-])cc1O ZINC000278763805 463983106 /nfs/dbraw/zinc/98/31/06/463983106.db2.gz XMZPRWHYJBHBON-UHFFFAOYSA-N 1 0 336.388 2.341 10 5 EEBERO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000284068326 464080492 /nfs/dbraw/zinc/08/04/92/464080492.db2.gz QIYSIAYZEXPEIL-BXUZGUMPSA-N 1 0 330.812 2.496 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@H]21 ZINC000285079469 464447264 /nfs/dbraw/zinc/44/72/64/464447264.db2.gz PPTBQBZBLZVTOM-CHWSQXEVSA-N 1 0 343.330 2.106 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000247464624 464682721 /nfs/dbraw/zinc/68/27/21/464682721.db2.gz RDCYGDZTAQELHU-AAEUAGOBSA-N 1 0 328.372 2.385 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC000248516617 464760395 /nfs/dbraw/zinc/76/03/95/464760395.db2.gz HCWQYHJPYJEJAT-NVXWUHKLSA-N 1 0 341.367 2.476 10 5 EEBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000248587508 464766933 /nfs/dbraw/zinc/76/69/33/464766933.db2.gz GKKCEYUDLHGXTH-JFUSQASVSA-N 1 0 341.314 2.006 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000249280004 464859078 /nfs/dbraw/zinc/85/90/78/464859078.db2.gz NCFNGRXITJRBCP-SMDDNHRTSA-N 1 0 336.392 2.454 10 5 EEBERO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000282685789 464911336 /nfs/dbraw/zinc/91/13/36/464911336.db2.gz DNGNEUSYBWVULI-UHFFFAOYSA-N 1 0 344.419 2.404 10 5 EEBERO O=[N+]([O-])c1cnc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000192514780 464940835 /nfs/dbraw/zinc/94/08/35/464940835.db2.gz FTIBDLUIVBILNA-OLZOCXBDSA-N 1 0 334.401 2.099 10 5 EEBERO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1C[NH+]2CCC1CC2 ZINC000347941081 465323261 /nfs/dbraw/zinc/32/32/61/465323261.db2.gz GYMCYQWAKIEGJB-KRWDZBQOSA-N 1 0 342.399 2.102 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593918122 468432367 /nfs/dbraw/zinc/43/23/67/468432367.db2.gz AUWKZJOQJXTXBD-KBMXLJTQSA-N 1 0 333.388 2.096 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000593919280 468433278 /nfs/dbraw/zinc/43/32/78/468433278.db2.gz PSSRLQYLXHWJDV-DJIMGWMZSA-N 1 0 347.415 2.025 10 5 EEBERO C[C@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000349157516 466000882 /nfs/dbraw/zinc/00/08/82/466000882.db2.gz YTOSZGRLBCZPME-MEDUHNTESA-N 1 0 335.379 2.390 10 5 EEBERO Cc1cc(N2CCC([N@H+](C)CCO)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302018059 466080627 /nfs/dbraw/zinc/08/06/27/466080627.db2.gz CXOFKDVSMCPIOG-UHFFFAOYSA-N 1 0 327.812 2.450 10 5 EEBERO COC(=O)COc1ccc(C[NH2+][C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000338473389 466155064 /nfs/dbraw/zinc/15/50/64/466155064.db2.gz DAESRLAKRGKUBI-ZDUSSCGKSA-N 1 0 340.401 2.130 10 5 EEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363419519 466392692 /nfs/dbraw/zinc/39/26/92/466392692.db2.gz VXNHTYDRCAJZQB-QAPCUYQASA-N 1 0 332.448 2.368 10 5 EEBERO O=C(CC[N@@H+]1CCO[C@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411843594 466915359 /nfs/dbraw/zinc/91/53/59/466915359.db2.gz ILHJVUHDXIYOQD-INIZCTEOSA-N 1 0 333.388 2.424 10 5 EEBERO CC(C)(CN1CCCC1)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411885442 466925492 /nfs/dbraw/zinc/92/54/92/466925492.db2.gz XTDXGSGUARDPQT-UHFFFAOYSA-N 1 0 334.420 2.387 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423962243 466929439 /nfs/dbraw/zinc/92/94/39/466929439.db2.gz DPPAZMJNRJVTTA-GOEBONIOSA-N 1 0 346.431 2.387 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000417859398 466959827 /nfs/dbraw/zinc/95/98/27/466959827.db2.gz WDONMNHSLPJODN-AEGPPILISA-N 1 0 332.404 2.358 10 5 EEBERO C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000418086984 467041573 /nfs/dbraw/zinc/04/15/73/467041573.db2.gz FKWJMKWRGXIZLK-JGVFFNPUSA-N 1 0 334.298 2.149 10 5 EEBERO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000418117907 467049444 /nfs/dbraw/zinc/04/94/44/467049444.db2.gz SECKYRMOPKJHBE-NEPJUHHUSA-N 1 0 327.812 2.135 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371018973 467072349 /nfs/dbraw/zinc/07/23/49/467072349.db2.gz PFCWEQORWQUQEI-LSDHHAIUSA-N 1 0 346.431 2.387 10 5 EEBERO COC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000452109956 467325323 /nfs/dbraw/zinc/32/53/23/467325323.db2.gz XRJUCCWSZGZWGB-GJZGRUSLSA-N 1 0 338.404 2.083 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)n1 ZINC000452346011 467352988 /nfs/dbraw/zinc/35/29/88/467352988.db2.gz TWMNJXHQNPYIFR-ZDUSSCGKSA-N 1 0 337.424 2.052 10 5 EEBERO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cscn1 ZINC000453572115 467497565 /nfs/dbraw/zinc/49/75/65/467497565.db2.gz GYYUOSMEGLTSIB-LBPRGKRZSA-N 1 0 346.412 2.398 10 5 EEBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1COCCOC1 ZINC000589949769 468198690 /nfs/dbraw/zinc/19/86/90/468198690.db2.gz NMXKYXHKMDYGJJ-LBPRGKRZSA-N 1 0 326.418 2.471 10 5 EEBERO C[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594502346 468610380 /nfs/dbraw/zinc/61/03/80/468610380.db2.gz ZJDPZBVYUNYCKZ-NWDGAFQWSA-N 1 0 344.458 2.242 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc([C@H]3COCC[NH2+]3)c2)c1 ZINC000600793880 468659572 /nfs/dbraw/zinc/65/95/72/468659572.db2.gz PRLLWDLFUGNFDI-GOSISDBHSA-N 1 0 328.368 2.458 10 5 EEBERO Cc1ccccc1-n1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000592366077 468684278 /nfs/dbraw/zinc/68/42/78/468684278.db2.gz XCMFPBPRFZGVJG-UHFFFAOYSA-N 1 0 326.360 2.075 10 5 EEBERO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597858174 468695593 /nfs/dbraw/zinc/69/55/93/468695593.db2.gz LJTMGTWWHSVXGH-CYBMUJFWSA-N 1 0 335.404 2.135 10 5 EEBERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000597878220 468701755 /nfs/dbraw/zinc/70/17/55/468701755.db2.gz OHNYWMKXUPCTOY-UHFFFAOYSA-N 1 0 347.415 2.216 10 5 EEBERO Cn1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988236 468739213 /nfs/dbraw/zinc/73/92/13/468739213.db2.gz ODLRTYIZJMNBND-CVEARBPZSA-N 1 0 342.399 2.388 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000601131293 468754774 /nfs/dbraw/zinc/75/47/74/468754774.db2.gz VXDRIQQNOMGFOZ-ZJUUUORDSA-N 1 0 347.341 2.268 10 5 EEBERO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164500 468767063 /nfs/dbraw/zinc/76/70/63/468767063.db2.gz XEOKTLNYBOSROJ-ZJUUUORDSA-N 1 0 347.341 2.410 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000592953546 468826962 /nfs/dbraw/zinc/82/69/62/468826962.db2.gz VPBKPDLJSPZPNI-INIZCTEOSA-N 1 0 341.367 2.302 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000593030950 468845621 /nfs/dbraw/zinc/84/56/21/468845621.db2.gz TULDVQHLFDHUJV-CFVMTHIKSA-N 1 0 334.372 2.285 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)n2)c1 ZINC000595835821 469033847 /nfs/dbraw/zinc/03/38/47/469033847.db2.gz VSMVUKQRUPZESH-STQMWFEESA-N 1 0 330.344 2.113 10 5 EEBERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000593670777 469087533 /nfs/dbraw/zinc/08/75/33/469087533.db2.gz IMTMHSDTJXCBCF-LSDHHAIUSA-N 1 0 332.356 2.436 10 5 EEBERO COc1cc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595935861 469090507 /nfs/dbraw/zinc/09/05/07/469090507.db2.gz WIWIHMQXNPXBTG-OAHLLOKOSA-N 1 0 347.415 2.455 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1SC ZINC000595946893 469094817 /nfs/dbraw/zinc/09/48/17/469094817.db2.gz CSGGLJPANGTZMG-LLVKDONJSA-N 1 0 341.433 2.429 10 5 EEBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000599626622 469315019 /nfs/dbraw/zinc/31/50/19/469315019.db2.gz XIWYHBUQFRBJRX-AZKPJATDSA-N 1 0 349.387 2.294 10 5 EEBERO C[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000617715317 469768747 /nfs/dbraw/zinc/76/87/47/469768747.db2.gz AJFOKXDZZMBBFN-LBPRGKRZSA-N 1 0 331.376 2.095 10 5 EEBERO CCN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000596417738 485611623 /nfs/dbraw/zinc/61/16/23/485611623.db2.gz JUJPDJKMNHJYKP-HNNXBMFYSA-N 1 0 334.420 2.263 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000175010992 529303712 /nfs/dbraw/zinc/30/37/12/529303712.db2.gz QIRJNKAHLCOIQG-UONOGXRCSA-N 1 0 333.388 2.059 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000769900662 577586764 /nfs/dbraw/zinc/58/67/64/577586764.db2.gz QMTIRAVVDJBAAP-BNOWGMLFSA-N 1 0 348.321 2.263 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000771258580 577612666 /nfs/dbraw/zinc/61/26/66/577612666.db2.gz WYYYRVOLJHCQLR-QWHCGFSZSA-N 1 0 329.397 2.224 10 5 EEBERO Cc1c(Br)c(N2CC[C@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000723709474 676698509 /nfs/dbraw/zinc/69/85/09/676698509.db2.gz PMQSOWUYZMAARF-VIFPVBQESA-N 1 0 329.198 2.236 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000899567472 693792543 /nfs/dbraw/zinc/79/25/43/693792543.db2.gz UIERYBFCKWOKKU-UHFFFAOYSA-N 1 0 347.415 2.451 10 5 EEBERO COc1cccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898832291 693481048 /nfs/dbraw/zinc/48/10/48/693481048.db2.gz LQWASAPKJPWPCC-KGLIPLIRSA-N 1 0 333.388 2.206 10 5 EEBERO C[N@H+](CCNC(=O)c1coc(C2CC2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266335394 1176321004 /nfs/dbraw/zinc/32/10/04/1176321004.db2.gz USMJARGADMDWLM-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO COCCC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001267830011 1180597374 /nfs/dbraw/zinc/59/73/74/1180597374.db2.gz JJOBDPWZOLBROO-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001481314807 1181010359 /nfs/dbraw/zinc/01/03/59/1181010359.db2.gz MGBGTUUYUUFGTA-UHFFFAOYSA-N 1 0 342.399 2.089 10 5 EEBERO CCC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001268044106 1181495468 /nfs/dbraw/zinc/49/54/68/1181495468.db2.gz XGZJJQAPKDOLCA-KSLSASGISA-N 1 0 335.448 2.322 10 5 EEBERO CN(CCC[NH2+]Cc1cccc(F)c1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268790392 1183706795 /nfs/dbraw/zinc/70/67/95/1183706795.db2.gz DMSVJKMVCDEJEH-DGCLKSJQSA-N 1 0 343.786 2.082 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)nc1 ZINC001269388068 1184226464 /nfs/dbraw/zinc/22/64/64/1184226464.db2.gz DTURPKSQRHMNDB-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071804 1198041340 /nfs/dbraw/zinc/04/13/40/1198041340.db2.gz XWLJDSZMYISFDE-MNOVXSKESA-N 1 0 330.381 2.209 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000872082606 1198041906 /nfs/dbraw/zinc/04/19/06/1198041906.db2.gz YICJNWDAEMYEHM-JOYOIKCWSA-N 1 0 337.401 2.115 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CCCS2)c1 ZINC000872223341 1198096922 /nfs/dbraw/zinc/09/69/22/1198096922.db2.gz GZZFAIVFDBXCPD-UKRRQHHQSA-N 1 0 326.418 2.210 10 5 EEBERO CN(CC[NH+](C)C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001137120786 1199933946 /nfs/dbraw/zinc/93/39/46/1199933946.db2.gz GXMPYGLYVZECBS-UHFFFAOYSA-N 1 0 328.372 2.290 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000866050299 1201414747 /nfs/dbraw/zinc/41/47/47/1201414747.db2.gz YNGIRLUNRQWXJW-SWLSCSKDSA-N 1 0 337.395 2.465 10 5 EEBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H](C)[NH2+]1 ZINC000882664830 1201915873 /nfs/dbraw/zinc/91/58/73/1201915873.db2.gz LVKGGXJCMZVGIC-NWDGAFQWSA-N 1 0 332.404 2.064 10 5 EEBERO O=C(N[C@@H]1C[C@H]1C1CC[NH+](CC[N+](=O)[O-])CC1)OCc1ccccc1 ZINC000930552300 1206566624 /nfs/dbraw/zinc/56/66/24/1206566624.db2.gz RMOIWSQHOZBRFE-DLBZAZTESA-N 1 0 347.415 2.290 10 5 EEBERO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000930593113 1206569049 /nfs/dbraw/zinc/56/90/49/1206569049.db2.gz CWLQKMIWEJEGKZ-OLZOCXBDSA-N 1 0 335.404 2.271 10 5 EEBERO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCc2cccnc2)CC1 ZINC000930681174 1206575431 /nfs/dbraw/zinc/57/54/31/1206575431.db2.gz RZPSEFKIBXEYLO-UHFFFAOYSA-N 1 0 327.388 2.140 10 5 EEBERO C[C@@H]1[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000903301990 1240208836 /nfs/dbraw/zinc/20/88/36/1240208836.db2.gz VRKNKMNXZIYPQH-KCXAZCMYSA-N 1 0 329.404 2.100 10 5 EEBERO Cc1c(NC(=O)CCN[C@@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000903485726 1240622382 /nfs/dbraw/zinc/62/23/82/1240622382.db2.gz PIGPNDFLAXERQI-MRXNPFEDSA-N 1 0 346.431 2.496 10 5 EEBERO C[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CS1(=O)=O ZINC000827165565 1250334437 /nfs/dbraw/zinc/33/44/37/1250334437.db2.gz ZMQYCTPFHCHPAI-ONGXEEELSA-N 1 0 332.809 2.304 10 5 EEBERO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(CF)CCC1 ZINC001491055018 1258622959 /nfs/dbraw/zinc/62/29/59/1258622959.db2.gz CGXBUNCGOSLIPO-OKILXGFUSA-N 1 0 335.379 2.471 10 5 EEBERO Cn1ncc2c1CC(C)(C)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000854058516 1292602712 /nfs/dbraw/zinc/60/27/12/1292602712.db2.gz OXZYGCGWCUMBLI-KRWDZBQOSA-N 1 0 344.415 2.446 10 5 EEBERO C[NH+]1CCN(Cc2cccc(CNc3ccc([N+](=O)[O-])nc3)c2)CC1 ZINC001117746890 1306160024 /nfs/dbraw/zinc/16/00/24/1306160024.db2.gz FUAROTXBQXZQGE-UHFFFAOYSA-N 1 0 341.415 2.349 10 5 EEBERO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC001137723104 1314483724 /nfs/dbraw/zinc/48/37/24/1314483724.db2.gz NBLURDSUGWMPCQ-UHFFFAOYSA-N 1 0 341.799 2.062 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001141937475 1315392738 /nfs/dbraw/zinc/39/27/38/1315392738.db2.gz AUPHSFKJSACWGQ-JTQLQIEISA-N 1 0 344.774 2.040 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841856158 1315625062 /nfs/dbraw/zinc/62/50/62/1315625062.db2.gz PBAPOFHJIJEEFT-CYBMUJFWSA-N 1 0 338.795 2.284 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001150119503 1316165956 /nfs/dbraw/zinc/16/59/56/1316165956.db2.gz DVVHMQQUXLMVET-DGCLKSJQSA-N 1 0 333.388 2.206 10 5 EEBERO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001154336160 1317081449 /nfs/dbraw/zinc/08/14/49/1317081449.db2.gz ZAZLTDQCNIZFHX-CQSZACIVSA-N 1 0 347.415 2.306 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1C[NH+]2CCC1CC2 ZINC001158267347 1319127261 /nfs/dbraw/zinc/12/72/61/1319127261.db2.gz AMLZSYXGZRRWOD-CQSZACIVSA-N 1 0 335.379 2.125 10 5 EEBERO CNc1ccc(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001263620690 1322495920 /nfs/dbraw/zinc/49/59/20/1322495920.db2.gz ZVVZPCAXWGXWRI-AWEZNQCLSA-N 1 0 349.387 2.047 10 5 EEBERO COCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001265481331 1323176624 /nfs/dbraw/zinc/17/66/24/1323176624.db2.gz FFILLIAMDYWIBD-SHTZXODSSA-N 1 0 347.415 2.148 10 5 EEBERO CC(C)n1nccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001317589596 1332311966 /nfs/dbraw/zinc/31/19/66/1332311966.db2.gz UISXEZHXIDQNLV-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO CCc1n[nH]cc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001322591384 1333289223 /nfs/dbraw/zinc/28/92/23/1333289223.db2.gz JIOVZKPRVOLEMJ-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001329578984 1334678546 /nfs/dbraw/zinc/67/85/46/1334678546.db2.gz RBCVJTBDUIAIDL-UHFFFAOYSA-N 1 0 347.415 2.308 10 5 EEBERO C[C@@](CO)(NC(=O)CCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001348777101 1337575601 /nfs/dbraw/zinc/57/56/01/1337575601.db2.gz ARXGIMRKKMRVPI-SFHVURJKSA-N 1 0 349.431 2.185 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@@H]2C1 ZINC001349775813 1337646862 /nfs/dbraw/zinc/64/68/62/1337646862.db2.gz DALRGJZMTUGVEM-UHTWSYAYSA-N 1 0 328.372 2.146 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NCCCCc2cc[nH+]c(N)c2)c1 ZINC001608283246 1351663085 /nfs/dbraw/zinc/66/30/85/1351663085.db2.gz IMUOVCACGVTHOX-UHFFFAOYSA-N 1 0 344.371 2.333 10 5 EEBERO CSc1ccc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001627017269 1352480515 /nfs/dbraw/zinc/48/05/15/1352480515.db2.gz PPIPITMCNZCEAY-WBMJQRKESA-N 1 0 335.429 2.340 10 5 EEBERO CCOCCN1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001628524561 1352536437 /nfs/dbraw/zinc/53/64/37/1352536437.db2.gz CIPJZFODCZJALJ-UHFFFAOYSA-N 1 0 341.795 2.043 10 5 EEBERO CCOC(=O)c1ccnc(NCCn2ccnc2CC)c1[N+](=O)[O-] ZINC001643182605 1352741876 /nfs/dbraw/zinc/74/18/76/1352741876.db2.gz FYOKXJKMCHCZMY-UHFFFAOYSA-N 1 0 333.348 2.038 10 5 EEBERO Cc1ccc(N(C)CCNC(=O)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001654217014 1354143997 /nfs/dbraw/zinc/14/39/97/1354143997.db2.gz QNLFRQASNVVAAP-UHFFFAOYSA-N 1 0 348.447 2.188 10 5 EEBERO CC[N@H+](CCC(=O)NC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655780506 1354184299 /nfs/dbraw/zinc/18/42/99/1354184299.db2.gz DEIZRDZVMBNVKP-LLVKDONJSA-N 1 0 347.375 2.164 10 5 EEBERO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001655814946 1354185961 /nfs/dbraw/zinc/18/59/61/1354185961.db2.gz NFWXBINGGUTPNF-CYBMUJFWSA-N 1 0 334.763 2.500 10 5 EEBERO C[C@@H]1CC[C@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC001656510946 1354243855 /nfs/dbraw/zinc/24/38/55/1354243855.db2.gz KMIQJHCEZCVRBM-CXAGYDPISA-N 1 0 330.388 2.166 10 5 EEBERO COc1ccc(C(=O)NCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001660341259 1354443921 /nfs/dbraw/zinc/44/39/21/1354443921.db2.gz JFKGTLVCGXPOSO-UHFFFAOYSA-N 1 0 347.371 2.448 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(F)CCCC1 ZINC001664033297 1355078327 /nfs/dbraw/zinc/07/83/27/1355078327.db2.gz OTNATOHBDWDDKX-UHFFFAOYSA-N 1 0 329.397 2.487 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC000908012963 785019283 /nfs/dbraw/zinc/01/92/83/785019283.db2.gz QAZNAAXDPFAKPK-UHFFFAOYSA-N 1 0 340.383 2.479 10 5 EEBERO CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000912397631 788159521 /nfs/dbraw/zinc/15/95/21/788159521.db2.gz CJMQCOWHFSKBJV-NSHDSACASA-N 1 0 340.811 2.387 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCn2ccnc21 ZINC000824526370 788202122 /nfs/dbraw/zinc/20/21/22/788202122.db2.gz KHBSAWCFFLLDQG-BXUZGUMPSA-N 1 0 329.360 2.243 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1Cl ZINC000824582876 788246380 /nfs/dbraw/zinc/24/63/80/788246380.db2.gz CUPAJELFGNSXTP-ZDUSSCGKSA-N 1 0 327.812 2.185 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001144595478 789954937 /nfs/dbraw/zinc/95/49/37/789954937.db2.gz HDXLCAHNLHHLCR-UHFFFAOYSA-N 1 0 338.327 2.141 10 5 EEBERO Cc1nnc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000929750635 794095606 /nfs/dbraw/zinc/09/56/06/794095606.db2.gz WIRHMYNMRYEVLE-UHFFFAOYSA-N 1 0 332.360 2.372 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000828697137 800800820 /nfs/dbraw/zinc/80/08/20/800800820.db2.gz HKAKJIYKRCGSOG-UHFFFAOYSA-N 1 0 349.431 2.116 10 5 EEBERO O=C(NCCC[N@H+](CC1CC2(CCC2)C1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566587644 1125774812 /nfs/dbraw/zinc/77/48/12/1125774812.db2.gz NCQQGDJERICLJI-HZPDHXFCSA-N 1 0 335.448 2.203 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c(F)c1 ZINC001457856928 1109797161 /nfs/dbraw/zinc/79/71/61/1109797161.db2.gz FNXZQVDPYHBHEJ-UHFFFAOYSA-N 1 0 334.307 2.148 10 5 EEBERO CCOC(=O)c1ccnc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC001458454371 1109875478 /nfs/dbraw/zinc/87/54/78/1109875478.db2.gz PDOLLQFLQYVELC-NEPJUHHUSA-N 1 0 336.392 2.307 10 5 EEBERO O=C(CCCF)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001479314376 1110680082 /nfs/dbraw/zinc/68/00/82/1110680082.db2.gz SZMJLNVRBUIDDD-KLPPZKSPSA-N 1 0 329.397 2.390 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC001540431426 1124082767 /nfs/dbraw/zinc/08/27/67/1124082767.db2.gz DZOHNPBSRWDZES-KGLIPLIRSA-N 1 0 334.420 2.243 10 5 EEBERO C[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000053202023 214169734 /nfs/dbraw/zinc/16/97/34/214169734.db2.gz RSEAYZOMFNBZOD-VIFPVBQESA-N 1 0 342.193 2.181 10 5 EEBERO O=[N+]([O-])c1c(NC[C@H](O)C[NH+]2CCCCC2)ccc2ncccc21 ZINC000112074292 285078564 /nfs/dbraw/zinc/07/85/64/285078564.db2.gz YWDFREMDXTZGAA-ZDUSSCGKSA-N 1 0 330.388 2.402 10 5 EEBERO Cn1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000173320091 152157698 /nfs/dbraw/zinc/15/76/98/152157698.db2.gz HUNJYVXLGVFKSF-HNNXBMFYSA-N 1 0 343.387 2.494 10 5 EEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184765490 160016991 /nfs/dbraw/zinc/01/69/91/160016991.db2.gz FNIRSCJSEWVHKC-NVXWUHKLSA-N 1 0 331.416 2.470 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000247081146 160309731 /nfs/dbraw/zinc/30/97/31/160309731.db2.gz ZJHLIHASBSSJPQ-KBPBESRZSA-N 1 0 333.388 2.302 10 5 EEBERO CC(C)(C)Oc1cc(N2CC[NH+](CCCO)CC2)ccc1[N+](=O)[O-] ZINC000343252689 161117126 /nfs/dbraw/zinc/11/71/26/161117126.db2.gz SCYDKMMOOCKEBZ-UHFFFAOYSA-N 1 0 337.420 2.277 10 5 EEBERO C[NH+]1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000344425246 161226497 /nfs/dbraw/zinc/22/64/97/161226497.db2.gz VNWVTVFXUXPOLL-UHFFFAOYSA-N 1 0 341.415 2.349 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NCc1ccco1 ZINC000344862589 161251881 /nfs/dbraw/zinc/25/18/81/161251881.db2.gz LFNAONMJYVYYMC-MDWZMJQESA-N 1 0 329.356 2.497 10 5 EEBERO COc1ccc(OCC[NH2+][C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000352033711 162039231 /nfs/dbraw/zinc/03/92/31/162039231.db2.gz VSMSTRRRHPDUGR-ZDUSSCGKSA-N 1 0 338.385 2.367 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000355448911 163193437 /nfs/dbraw/zinc/19/34/37/163193437.db2.gz VEYVQMJWRGPKLC-MRXNPFEDSA-N 1 0 347.415 2.230 10 5 EEBERO COc1cccc(N2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2=O)c1 ZINC000360173749 164250484 /nfs/dbraw/zinc/25/04/84/164250484.db2.gz RCNXQJAFPHMRSK-AWEZNQCLSA-N 1 0 341.367 2.499 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000369331766 166238505 /nfs/dbraw/zinc/23/85/05/166238505.db2.gz YTYHHKNZSNSMBM-UHFFFAOYSA-N 1 0 328.368 2.093 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375345936 167117143 /nfs/dbraw/zinc/11/71/43/167117143.db2.gz WIINPBXEEGYRDE-INIZCTEOSA-N 1 0 333.388 2.343 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000339860750 287360491 /nfs/dbraw/zinc/36/04/91/287360491.db2.gz CPAGAQNHADGPRU-CYBMUJFWSA-N 1 0 334.420 2.123 10 5 EEBERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000277728683 269176346 /nfs/dbraw/zinc/17/63/46/269176346.db2.gz OJCNLQDTKQVBHD-HNNXBMFYSA-N 1 0 329.404 2.395 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585966 275130026 /nfs/dbraw/zinc/13/00/26/275130026.db2.gz ZGSBWUSTWGUSKD-NWDGAFQWSA-N 1 0 331.376 2.255 10 5 EEBERO CNC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000154946504 277016970 /nfs/dbraw/zinc/01/69/70/277016970.db2.gz HAJFDIDVTYEVBG-CYBMUJFWSA-N 1 0 346.431 2.408 10 5 EEBERO C[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000181268186 277168646 /nfs/dbraw/zinc/16/86/46/277168646.db2.gz BMSRZBMLZNJSDG-YOEHRIQHSA-N 1 0 340.383 2.352 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000360243889 278076924 /nfs/dbraw/zinc/07/69/24/278076924.db2.gz YIARLKPCFSJVTH-UHFFFAOYSA-N 1 0 329.360 2.028 10 5 EEBERO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[S@@](C)=O ZINC000447589202 278173932 /nfs/dbraw/zinc/17/39/32/278173932.db2.gz WYXDNGYHLLRJFC-ZBUFRBDWSA-N 1 0 328.438 2.022 10 5 EEBERO 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468845711 /nfs/dbraw/zinc/84/57/11/468845711.db2.gz DEKGVLIYNWNIQT-INIZCTEOSA-N 1 0 335.404 2.153 10 5 EEBERO O=C(N1CC[C@@H]2C[NH2+]C[C@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601555502 468916472 /nfs/dbraw/zinc/91/64/72/468916472.db2.gz MZUFKEIXJLCYEI-KGLIPLIRSA-N 1 0 329.400 2.084 10 5 EEBERO C[C@@]1(C2CC2)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000595624559 468927815 /nfs/dbraw/zinc/92/78/15/468927815.db2.gz COSIYBFMVSCTJF-KRWDZBQOSA-N 1 0 333.388 2.424 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595632327 468931728 /nfs/dbraw/zinc/93/17/28/468931728.db2.gz NPQDKSDVADOZQC-IAOVAPTHSA-N 1 0 338.404 2.129 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595756449 468992708 /nfs/dbraw/zinc/99/27/08/468992708.db2.gz GDUDLGIWTMWRQO-GUYCJALGSA-N 1 0 333.388 2.200 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000601768354 469015370 /nfs/dbraw/zinc/01/53/70/469015370.db2.gz AWMKKTCXYZEBOU-UHFFFAOYSA-N 1 0 343.387 2.239 10 5 EEBERO CCOc1cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000595864704 469051971 /nfs/dbraw/zinc/05/19/71/469051971.db2.gz WCNSCIVJXXCKFX-INIZCTEOSA-N 1 0 349.431 2.025 10 5 EEBERO [NH3+]C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595903247 469073482 /nfs/dbraw/zinc/07/34/82/469073482.db2.gz OOPBBIXFUCFEQY-AWEZNQCLSA-N 1 0 340.383 2.313 10 5 EEBERO COc1ccc(CN2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000595906563 469074905 /nfs/dbraw/zinc/07/49/05/469074905.db2.gz LAMGVWPZYFTPLR-OAHLLOKOSA-N 1 0 337.420 2.146 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000595914634 469081020 /nfs/dbraw/zinc/08/10/20/469081020.db2.gz FOCOHMCQGJFRJM-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO COc1ccc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000595950518 469096270 /nfs/dbraw/zinc/09/62/70/469096270.db2.gz GMZIAMOPIRVSAX-UHFFFAOYSA-N 1 0 346.343 2.311 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000599051413 469100380 /nfs/dbraw/zinc/10/03/80/469100380.db2.gz SKMMWHRTBZMHLQ-AWEZNQCLSA-N 1 0 342.399 2.302 10 5 EEBERO COc1cc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])cc1F ZINC000596084495 469147344 /nfs/dbraw/zinc/14/73/44/469147344.db2.gz AGEGKZXGRPEXOZ-UHFFFAOYSA-N 1 0 327.356 2.001 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000611513272 469269347 /nfs/dbraw/zinc/26/93/47/469269347.db2.gz COZVHCSQCHHOQZ-CYBMUJFWSA-N 1 0 340.811 2.184 10 5 EEBERO CN(C(=O)C[NH2+][C@]1(CO)CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599594469 469303110 /nfs/dbraw/zinc/30/31/10/469303110.db2.gz LOOBJVPYMGCBIN-GOSISDBHSA-N 1 0 349.431 2.479 10 5 EEBERO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000573635979 517758881 /nfs/dbraw/zinc/75/88/81/517758881.db2.gz BIIYVBWKHPXHHI-BXUZGUMPSA-N 1 0 332.360 2.442 10 5 EEBERO C[NH+]1CCC(OCC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000923788535 682046709 /nfs/dbraw/zinc/04/67/09/682046709.db2.gz DUBZTQZNHYMHAT-UHFFFAOYSA-N 1 0 342.779 2.402 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cocn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267311878 1178737558 /nfs/dbraw/zinc/73/75/58/1178737558.db2.gz HTZWRSHNNOGODQ-UHFFFAOYSA-N 1 0 332.360 2.225 10 5 EEBERO CC[N@H+](CCNC(=O)c1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC001480965655 1179391184 /nfs/dbraw/zinc/39/11/84/1179391184.db2.gz OHWCZAQDUUPKBI-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001481234550 1180372933 /nfs/dbraw/zinc/37/29/33/1180372933.db2.gz GWJKMLLNCDVVLW-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO CCOCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001268031178 1181278701 /nfs/dbraw/zinc/27/87/01/1181278701.db2.gz RBFLBXZUOGRXQN-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001268035813 1181368387 /nfs/dbraw/zinc/36/83/87/1181368387.db2.gz FUAIFBPUMVFVJM-IAGOWNOFSA-N 1 0 345.443 2.487 10 5 EEBERO CCN(CC[NH2+]Cc1ccc(C(C)C)nc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450044 1182632152 /nfs/dbraw/zinc/63/21/52/1182632152.db2.gz NDSNJARVRMNXPW-NVXWUHKLSA-N 1 0 348.447 2.117 10 5 EEBERO COc1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001268606641 1183518567 /nfs/dbraw/zinc/51/85/67/1183518567.db2.gz GQERPFICUHVYBH-PLNGDYQASA-N 1 0 345.355 2.272 10 5 EEBERO CC/C(C)=C/C(=O)N[C@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001269986185 1184764722 /nfs/dbraw/zinc/76/47/22/1184764722.db2.gz VKKACOYUYOOOMX-VTHZWRTPSA-N 1 0 349.435 2.202 10 5 EEBERO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000841892442 1188129259 /nfs/dbraw/zinc/12/92/59/1188129259.db2.gz YRXJFAUYLBIUAW-NEPJUHHUSA-N 1 0 327.812 2.135 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC001483077812 1188435651 /nfs/dbraw/zinc/43/56/51/1188435651.db2.gz MKNDYVCRNYNJLQ-OWOJBTEDSA-N 1 0 332.385 2.127 10 5 EEBERO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872075098 1198040794 /nfs/dbraw/zinc/04/07/94/1198040794.db2.gz OAJNPYCPCGGOJD-QWHCGFSZSA-N 1 0 325.384 2.231 10 5 EEBERO O=C(CC[NH2+][C@]12CCC[C@H]1OCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000872315128 1198142603 /nfs/dbraw/zinc/14/26/03/1198142603.db2.gz MZEPIOJNSPHQQE-ZBFHGGJFSA-N 1 0 337.351 2.364 10 5 EEBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000870571671 1200748093 /nfs/dbraw/zinc/74/80/93/1200748093.db2.gz QXYORNAODLKTND-OAHLLOKOSA-N 1 0 338.360 2.109 10 5 EEBERO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCC1(C)C ZINC000871153284 1201073194 /nfs/dbraw/zinc/07/31/94/1201073194.db2.gz JXDIDXNXILLZMY-UHFFFAOYSA-N 1 0 339.367 2.055 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@@H]21 ZINC000866205442 1201464654 /nfs/dbraw/zinc/46/46/54/1201464654.db2.gz LYNFTQZVCJKNJA-OCCSQVGLSA-N 1 0 346.387 2.082 10 5 EEBERO O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000866724118 1201590466 /nfs/dbraw/zinc/59/04/66/1201590466.db2.gz IKVHKMZWLWGTML-KGLIPLIRSA-N 1 0 338.795 2.013 10 5 EEBERO Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000869055124 1201930082 /nfs/dbraw/zinc/93/00/82/1201930082.db2.gz QZIALMCOJMKIBW-LSDHHAIUSA-N 1 0 332.404 2.139 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000869052736 1201930271 /nfs/dbraw/zinc/93/02/71/1201930271.db2.gz DGSSIPAKEXBPHJ-HUUCEWRRSA-N 1 0 332.404 2.329 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCc2sc(C[NH3+])nc2C1 ZINC000903940706 1242606368 /nfs/dbraw/zinc/60/63/68/1242606368.db2.gz BNNULWDHQWRCRU-UHFFFAOYSA-N 1 0 348.428 2.467 10 5 EEBERO COCCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001491069007 1258635265 /nfs/dbraw/zinc/63/52/65/1258635265.db2.gz HQYPAGCZMIFWEH-GASCZTMLSA-N 1 0 349.431 2.394 10 5 EEBERO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000850485059 1277242960 /nfs/dbraw/zinc/24/29/60/1277242960.db2.gz WTMWLQGRMJNPMK-KBXCAEBGSA-N 1 0 349.431 2.205 10 5 EEBERO C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850560988 1277267057 /nfs/dbraw/zinc/26/70/57/1277267057.db2.gz HEDAMXAUCUFERW-OCCSQVGLSA-N 1 0 347.419 2.118 10 5 EEBERO O=[N+]([O-])c1ccc2nc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)sc2c1 ZINC000853965087 1292559830 /nfs/dbraw/zinc/55/98/30/1292559830.db2.gz DPOUNGFAKVVKPC-CYBMUJFWSA-N 1 0 348.428 2.240 10 5 EEBERO C[C@@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000863563492 1296338175 /nfs/dbraw/zinc/33/81/75/1296338175.db2.gz OQEFAYUQNXROHS-CRAIPNDOSA-N 1 0 344.367 2.448 10 5 EEBERO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1[NH+](C)C ZINC001295851130 1329849042 /nfs/dbraw/zinc/84/90/42/1329849042.db2.gz CPTFATXJFIYZEN-KBPBESRZSA-N 1 0 341.408 2.160 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCn1cccc1 ZINC001317641273 1332343658 /nfs/dbraw/zinc/34/36/58/1332343658.db2.gz FOWVUXAXEWSFAJ-UHFFFAOYSA-N 1 0 330.388 2.035 10 5 EEBERO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCNc3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001347261778 1337500660 /nfs/dbraw/zinc/50/06/60/1337500660.db2.gz IYOAMTDCDFYAIM-CKEIUWERSA-N 1 0 346.431 2.243 10 5 EEBERO CN(CCCC[NH+](C)C)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584217 1338724684 /nfs/dbraw/zinc/72/46/84/1338724684.db2.gz RBHWVGYLYAISLI-UHFFFAOYSA-N 1 0 345.346 2.367 10 5 EEBERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001635813330 1352653154 /nfs/dbraw/zinc/65/31/54/1352653154.db2.gz DSLDQMQMRJCVJO-QMTHXVAHSA-N 1 0 337.807 2.390 10 5 EEBERO C[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[C@H]1O ZINC001655023149 1354163063 /nfs/dbraw/zinc/16/30/63/1354163063.db2.gz ARQMSKGMAXFCSC-HBYGRHMLSA-N 1 0 332.360 2.094 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccnn1C ZINC001659865056 1354388657 /nfs/dbraw/zinc/38/86/57/1354388657.db2.gz ALOBVMXMZVLFRB-LLVKDONJSA-N 1 0 347.375 2.016 10 5 EEBERO O=C(NCc1ccc(CC[NH2+]CC2CCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001662805440 1354850914 /nfs/dbraw/zinc/85/09/14/1354850914.db2.gz OJPXIZSJRNPHNQ-QZTJIDSGSA-N 1 0 345.443 2.290 10 5 EEBERO Cn1cccc1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001663705730 1355020042 /nfs/dbraw/zinc/02/00/42/1355020042.db2.gz VFQIVXUJEGHURD-UHFFFAOYSA-N 1 0 342.399 2.328 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(CC)cn1 ZINC001668619884 1355974046 /nfs/dbraw/zinc/97/40/46/1355974046.db2.gz YQJSJIRATUGMLF-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[N@H+](C)C1CC1 ZINC001136598254 787268453 /nfs/dbraw/zinc/26/84/53/787268453.db2.gz YLJSNAAGFSEFNO-ZETCQYMHSA-N 1 0 344.774 2.182 10 5 EEBERO C[N@H+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825432225 788606004 /nfs/dbraw/zinc/60/60/04/788606004.db2.gz HRAWDJSPGDLYPN-MRXNPFEDSA-N 1 0 335.404 2.009 10 5 EEBERO CNc1c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000913280710 788743309 /nfs/dbraw/zinc/74/33/09/788743309.db2.gz FVLIROGBZICLON-CALCHBBNSA-N 1 0 332.404 2.050 10 5 EEBERO [NH3+]C[C@H]1Cc2ccccc2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923415055 789521208 /nfs/dbraw/zinc/52/12/08/789521208.db2.gz PPERMXBXZQYFON-ACJLOTCBSA-N 1 0 327.384 2.266 10 5 EEBERO C[C@H](C(=O)N1CC[NH+](CCCCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000913693438 794120183 /nfs/dbraw/zinc/12/01/83/794120183.db2.gz BCMGLKQSOAVPCS-HNNXBMFYSA-N 1 0 349.431 2.005 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000789518496 808039092 /nfs/dbraw/zinc/03/90/92/808039092.db2.gz GIYUFOQOIJCOOR-AWEZNQCLSA-N 1 0 345.403 2.283 10 5 EEBERO C[N@H+](CCCNC(=O)c1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479773778 1098950811 /nfs/dbraw/zinc/95/08/11/1098950811.db2.gz HWTRGCRINYXMCO-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO C/C=C(\C)C(=O)N1CCC(CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001495406251 1101126337 /nfs/dbraw/zinc/12/63/37/1101126337.db2.gz LYGPJTBZWZABEZ-YIXHJXPBSA-N 1 0 349.435 2.013 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1conc1C1CC1 ZINC001493694206 1108519977 /nfs/dbraw/zinc/51/99/77/1108519977.db2.gz WMZNQDAFVIQUCB-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO CCc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n[nH]1 ZINC001469287692 1110488555 /nfs/dbraw/zinc/48/85/55/1110488555.db2.gz IMDQJCBKEKKMPV-UHFFFAOYSA-N 1 0 326.316 2.318 10 5 EEBERO O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC001471525264 1110524228 /nfs/dbraw/zinc/52/42/28/1110524228.db2.gz HCOZHZRXHIHSLF-AWEZNQCLSA-N 1 0 325.328 2.291 10 5 EEBERO Cc1ncc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC001499176352 1112163348 /nfs/dbraw/zinc/16/33/48/1112163348.db2.gz XTWNDBGKRDQWSK-UHFFFAOYSA-N 1 0 346.412 2.412 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cocn1 ZINC001505801656 1114200885 /nfs/dbraw/zinc/20/08/85/1114200885.db2.gz OYFNWNFHLPMEAC-UHFFFAOYSA-N 1 0 346.387 2.471 10 5 EEBERO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001542527858 1124114078 /nfs/dbraw/zinc/11/40/78/1124114078.db2.gz ZLKXISOBPMJURZ-UHFFFAOYSA-N 1 0 334.420 2.371 10 5 EEBERO CC[C@H]([NH2+]CC(=O)Nc1cc(C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000181556637 529588912 /nfs/dbraw/zinc/58/89/12/529588912.db2.gz ZQJMSAWLRUYUQZ-AWEZNQCLSA-N 1 0 331.376 2.316 10 5 EEBERO CC[C@H](O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000174070472 529700992 /nfs/dbraw/zinc/70/09/92/529700992.db2.gz SZDWBIVHCZLRDY-AWEZNQCLSA-N 1 0 327.812 2.137 10 5 EEBERO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000104139714 219351888 /nfs/dbraw/zinc/35/18/88/219351888.db2.gz WSEODSSUOINYFU-SNVBAGLBSA-N 1 0 329.198 2.283 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000191474392 237256034 /nfs/dbraw/zinc/25/60/34/237256034.db2.gz HCGOXNAGWVBCKN-UHFFFAOYSA-N 1 0 345.403 2.015 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000451884590 243292014 /nfs/dbraw/zinc/29/20/14/243292014.db2.gz FPWRKCPQMKHPOY-GWCFXTLKSA-N 1 0 334.294 2.219 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000246982783 243344506 /nfs/dbraw/zinc/34/45/06/243344506.db2.gz DZJNXNLGSQQXCB-WFASDCNBSA-N 1 0 344.415 2.478 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264839255 246958170 /nfs/dbraw/zinc/95/81/70/246958170.db2.gz AJJKZSDPGYXYOG-UHFFFAOYSA-N 1 0 334.420 2.267 10 5 EEBERO Cn1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266133930 248119403 /nfs/dbraw/zinc/11/94/03/248119403.db2.gz DZCKCVXANPNYQB-CJNGLKHVSA-N 1 0 330.388 2.246 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1Cl ZINC000268830828 252280546 /nfs/dbraw/zinc/28/05/46/252280546.db2.gz SCYNUWIGFYKEHM-XPTSAGLGSA-N 1 0 341.795 2.421 10 5 EEBERO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270804895 256173938 /nfs/dbraw/zinc/17/39/38/256173938.db2.gz OIJWAKNQPHGBAD-GFCCVEGCSA-N 1 0 345.403 2.188 10 5 EEBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262711773 152310214 /nfs/dbraw/zinc/31/02/14/152310214.db2.gz CSTGFRYTRRYSQW-GXFFZTMASA-N 1 0 346.412 2.446 10 5 EEBERO COc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000104405425 159286721 /nfs/dbraw/zinc/28/67/21/159286721.db2.gz CLDNGVXTNNIXII-UHFFFAOYSA-N 1 0 333.388 2.304 10 5 EEBERO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000106866694 159323521 /nfs/dbraw/zinc/32/35/21/159323521.db2.gz UFNWKXWDYZSCMJ-OAHLLOKOSA-N 1 0 335.404 2.475 10 5 EEBERO CC(C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000119644845 159380581 /nfs/dbraw/zinc/38/05/81/159380581.db2.gz OMDHRBZVPCMFPK-INIZCTEOSA-N 1 0 338.404 2.224 10 5 EEBERO CC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247009708 160305529 /nfs/dbraw/zinc/30/55/29/160305529.db2.gz BZSTXRMCXZVTBG-QWHCGFSZSA-N 1 0 325.384 2.011 10 5 EEBERO CC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000123868757 222345059 /nfs/dbraw/zinc/34/50/59/222345059.db2.gz YSXCTCPGVURQRJ-MRXNPFEDSA-N 1 0 349.431 2.015 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000279566489 269288887 /nfs/dbraw/zinc/28/88/87/269288887.db2.gz ZBGGXBJFJGDVKD-HZMBPMFUSA-N 1 0 338.383 2.118 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)n1 ZINC000191787883 274052404 /nfs/dbraw/zinc/05/24/04/274052404.db2.gz UWNMNOSRVXOFPZ-GFCCVEGCSA-N 1 0 349.391 2.217 10 5 EEBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1-n1cccn1 ZINC000183134652 278348989 /nfs/dbraw/zinc/34/89/89/278348989.db2.gz BDSIMOVBAYKFHD-CYBMUJFWSA-N 1 0 326.360 2.328 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408025126 288305109 /nfs/dbraw/zinc/30/51/09/288305109.db2.gz OFRMECRMXGWHHR-VXGBXAGGSA-N 1 0 328.372 2.385 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000518430848 316725967 /nfs/dbraw/zinc/72/59/67/316725967.db2.gz STXRDMKDUMOZDL-BZUAXINKSA-N 1 0 328.368 2.480 10 5 EEBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000547437948 318288586 /nfs/dbraw/zinc/28/85/86/318288586.db2.gz JOKIGFSVHLGWJT-BLLLJJGKSA-N 1 0 328.372 2.411 10 5 EEBERO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000548365100 318381697 /nfs/dbraw/zinc/38/16/97/318381697.db2.gz PCKFCHOBOHCNNF-CYBMUJFWSA-N 1 0 344.415 2.424 10 5 EEBERO O=[N+]([O-])c1c(N[C@H](CO)C[NH+]2CCCCC2)ccc2ncccc21 ZINC000570771711 319695050 /nfs/dbraw/zinc/69/50/50/319695050.db2.gz IDCSITLGYYJMQS-ZDUSSCGKSA-N 1 0 330.388 2.402 10 5 EEBERO COc1ccc(CC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000571038687 319720326 /nfs/dbraw/zinc/72/03/26/319720326.db2.gz BHYFPUDTRIBTHD-LBPRGKRZSA-N 1 0 343.383 2.482 10 5 EEBERO COc1cnccc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000187091703 323449356 /nfs/dbraw/zinc/44/93/56/323449356.db2.gz LNDDRFLLFNARHY-GXTWGEPZSA-N 1 0 347.371 2.089 10 5 EEBERO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C ZINC000116371930 462756684 /nfs/dbraw/zinc/75/66/84/462756684.db2.gz PMROAZOICPFPEN-SNVBAGLBSA-N 1 0 349.478 2.301 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134613543 463062234 /nfs/dbraw/zinc/06/22/34/463062234.db2.gz TVZBZLXPTTXNOF-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000262110555 463949758 /nfs/dbraw/zinc/94/97/58/463949758.db2.gz AUWLWAMGLKUNAY-KRWDZBQOSA-N 1 0 328.372 2.015 10 5 EEBERO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000180423011 464308356 /nfs/dbraw/zinc/30/83/56/464308356.db2.gz RFVHQEMHDQTJAH-LBPRGKRZSA-N 1 0 334.376 2.448 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246194332 464557492 /nfs/dbraw/zinc/55/74/92/464557492.db2.gz SVIJCKMGUFMZAY-AWEZNQCLSA-N 1 0 332.404 2.017 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295067316 464694779 /nfs/dbraw/zinc/69/47/79/464694779.db2.gz ZQAORQRUTNMDOV-LLVKDONJSA-N 1 0 348.403 2.005 10 5 EEBERO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000184612982 465008050 /nfs/dbraw/zinc/00/80/50/465008050.db2.gz VAYNEHHSKRFOKV-SNVBAGLBSA-N 1 0 335.360 2.430 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@@]2(CCCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000357065041 465739641 /nfs/dbraw/zinc/73/96/41/465739641.db2.gz DTJNLBREHIXAKW-GOSISDBHSA-N 1 0 347.415 2.450 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000357388709 465997940 /nfs/dbraw/zinc/99/79/40/465997940.db2.gz GNOCOIMJHKWLPK-CQSZACIVSA-N 1 0 349.435 2.219 10 5 EEBERO CC[N@@H+]1CCCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301686065 466009451 /nfs/dbraw/zinc/00/94/51/466009451.db2.gz LOCAPYRHRMKLCH-NSHDSACASA-N 1 0 334.376 2.212 10 5 EEBERO C[NH+](C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccs1 ZINC000301844766 466044326 /nfs/dbraw/zinc/04/43/26/466044326.db2.gz SMSAXJIEFYIVTP-JTQLQIEISA-N 1 0 332.389 2.414 10 5 EEBERO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594040087 468469233 /nfs/dbraw/zinc/46/92/33/468469233.db2.gz DAFQXGFAHYUIAG-IJEWVQPXSA-N 1 0 338.404 2.272 10 5 EEBERO Nc1ccc(-c2noc(Cn3cnc4c3CCCC4)n2)cc1[N+](=O)[O-] ZINC000349909363 466303478 /nfs/dbraw/zinc/30/34/78/466303478.db2.gz LHVCAXKQYBVJPB-UHFFFAOYSA-N 1 0 340.343 2.351 10 5 EEBERO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347013961 466319932 /nfs/dbraw/zinc/31/99/32/466319932.db2.gz QBJLKKLETJILAE-HNNXBMFYSA-N 1 0 344.415 2.478 10 5 EEBERO C[C@@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000347213254 466480591 /nfs/dbraw/zinc/48/05/91/466480591.db2.gz JSRLDOFZGJFNPL-QMMMGPOBSA-N 1 0 345.197 2.429 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415663553 466704832 /nfs/dbraw/zinc/70/48/32/466704832.db2.gz SIPPEWNEUSMSNP-GFCCVEGCSA-N 1 0 344.318 2.112 10 5 EEBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417707266 466914288 /nfs/dbraw/zinc/91/42/88/466914288.db2.gz AQSCCUIWCVJAFE-BBRMVZONSA-N 1 0 334.420 2.215 10 5 EEBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414943318 467454950 /nfs/dbraw/zinc/45/49/50/467454950.db2.gz FHJSJXCRAFMNJN-GZMMTYOYSA-N 1 0 344.318 2.316 10 5 EEBERO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000408029482 467496961 /nfs/dbraw/zinc/49/69/61/467496961.db2.gz XWGNJXJLTLOEJV-SJORKVTESA-N 1 0 342.399 2.361 10 5 EEBERO CCOC(=O)[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC12COC2 ZINC000449359181 467633169 /nfs/dbraw/zinc/63/31/69/467633169.db2.gz GKSUXWSXOZBPSS-PKYBCLHXSA-N 1 0 346.383 2.120 10 5 EEBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1CCO ZINC000449393243 467636893 /nfs/dbraw/zinc/63/68/93/467636893.db2.gz LUQBZDYJLMVLAH-RDJZCZTQSA-N 1 0 335.448 2.352 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000517042908 468068704 /nfs/dbraw/zinc/06/87/04/468068704.db2.gz BWYUSIHPWHGMFJ-AEFFLSMTSA-N 1 0 342.395 2.482 10 5 EEBERO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCCC1 ZINC000519068338 468140256 /nfs/dbraw/zinc/14/02/56/468140256.db2.gz POETYSQWVCHTKX-UHFFFAOYSA-N 1 0 349.387 2.318 10 5 EEBERO Cc1ccc(NCCCNC(=O)C[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000578521645 468213158 /nfs/dbraw/zinc/21/31/58/468213158.db2.gz ZGOORWPOBCAMQQ-CQSZACIVSA-N 1 0 334.420 2.163 10 5 EEBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600470034 468567918 /nfs/dbraw/zinc/56/79/18/468567918.db2.gz DWQUQIIEGVBBSD-ZDUSSCGKSA-N 1 0 347.371 2.070 10 5 EEBERO C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594590811 468628630 /nfs/dbraw/zinc/62/86/30/468628630.db2.gz CIHLBSCIMASGAJ-MELADBBJSA-N 1 0 344.415 3.053 10 5 EEBERO NC(=O)c1ccc(CN2CCCc3cccc(C[NH3+])c32)c([N+](=O)[O-])c1 ZINC000600721124 468634333 /nfs/dbraw/zinc/63/43/33/468634333.db2.gz AHDJMFOQYBDQAZ-UHFFFAOYSA-N 1 0 340.383 2.105 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000597696047 468641853 /nfs/dbraw/zinc/64/18/53/468641853.db2.gz VAEMIELGRDPAEG-WBVHZDCISA-N 1 0 347.415 2.147 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253955 468665480 /nfs/dbraw/zinc/66/54/80/468665480.db2.gz RQXVXOPCZNEGDZ-KBPBESRZSA-N 1 0 332.404 2.150 10 5 EEBERO C[C@H](CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597992459 468732782 /nfs/dbraw/zinc/73/27/82/468732782.db2.gz LXWHBBHXVWZPAE-SECBINFHSA-N 1 0 331.319 2.266 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000601104695 468742900 /nfs/dbraw/zinc/74/29/00/468742900.db2.gz DFZQCXIJBPOJTN-DTWKUNHWSA-N 1 0 333.314 2.386 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000595046821 468749422 /nfs/dbraw/zinc/74/94/22/468749422.db2.gz BIKDSGJSLNNOAI-OCCSQVGLSA-N 1 0 331.372 2.425 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583866596 468767458 /nfs/dbraw/zinc/76/74/58/468767458.db2.gz YUXZLSQGGVWJDD-GOSISDBHSA-N 1 0 344.415 2.385 10 5 EEBERO C[C@@H]1CC[N@H+](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601266323 468805258 /nfs/dbraw/zinc/80/52/58/468805258.db2.gz NJOOHBDDRLQPFD-CQSZACIVSA-N 1 0 331.416 2.475 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000601335873 468830481 /nfs/dbraw/zinc/83/04/81/468830481.db2.gz ZDQDRNNXPZPDGM-UKRRQHHQSA-N 1 0 343.387 2.219 10 5 EEBERO CC(C)C[NH2+]C1(CO)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000595512166 468883603 /nfs/dbraw/zinc/88/36/03/468883603.db2.gz QOOINLGTMLQSDW-UHFFFAOYSA-N 1 0 327.450 2.229 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595753262 468989685 /nfs/dbraw/zinc/98/96/85/468989685.db2.gz XTLUALXRTRXMIO-SFHVURJKSA-N 1 0 347.415 2.469 10 5 EEBERO CC(C)C[N@H+](C)CCCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000593479473 468998457 /nfs/dbraw/zinc/99/84/57/468998457.db2.gz 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O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c(F)c1 ZINC000599543063 469287889 /nfs/dbraw/zinc/28/78/89/469287889.db2.gz IVBQBKCGLCYSRR-HNNXBMFYSA-N 1 0 338.379 2.487 10 5 EEBERO COc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000596567436 469302448 /nfs/dbraw/zinc/30/24/48/469302448.db2.gz NUAZVTBAFMWLPL-LBPRGKRZSA-N 1 0 341.383 2.290 10 5 EEBERO C[C@@H]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000602550989 469358518 /nfs/dbraw/zinc/35/85/18/469358518.db2.gz ATCVZNYNGPZZSL-KCJUWKMLSA-N 1 0 342.193 2.228 10 5 EEBERO COc1cc(CN2CC[NH+](CCCF)CC2)c([N+](=O)[O-])cc1F ZINC000599669562 485625211 /nfs/dbraw/zinc/62/52/11/485625211.db2.gz KQQPXAMWZMUWII-UHFFFAOYSA-N 1 0 329.347 2.220 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779362 527753701 /nfs/dbraw/zinc/75/37/01/527753701.db2.gz QVSJBEFJNWYLJN-UKRRQHHQSA-N 1 0 334.420 2.195 10 5 EEBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000178678735 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O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1(CF)CCC1 ZINC001483060072 1188353808 /nfs/dbraw/zinc/35/38/08/1188353808.db2.gz CMDBQQBEGINYNS-ONEGZZNKSA-N 1 0 335.379 2.497 10 5 EEBERO Cc1ncc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)[nH]1 ZINC001484627462 1191447837 /nfs/dbraw/zinc/44/78/37/1191447837.db2.gz CADJQECYEDTCLF-UHFFFAOYSA-N 1 0 343.387 2.069 10 5 EEBERO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000872047647 1198034090 /nfs/dbraw/zinc/03/40/90/1198034090.db2.gz CEBYFNNXMMKMCQ-WDEREUQCSA-N 1 0 349.366 2.137 10 5 EEBERO CCOC1CC2(C[C@H]2[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000872250156 1198111110 /nfs/dbraw/zinc/11/11/10/1198111110.db2.gz FANKEVJELKXMTH-YAJUMTOWSA-N 1 0 333.388 2.471 10 5 EEBERO COCCN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000865997133 1198449620 /nfs/dbraw/zinc/44/96/20/1198449620.db2.gz WJYGEWUGBAYAND-UHFFFAOYSA-N 1 0 340.399 2.111 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C1(S(C)(=O)=O)CC1 ZINC000866359637 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KGOUYXLFFAIGLW-KGLIPLIRSA-N 1 0 333.388 2.237 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000800859811 1234685595 /nfs/dbraw/zinc/68/55/95/1234685595.db2.gz NENHXKGGVGBZPH-OAHLLOKOSA-N 1 0 334.420 2.258 10 5 EEBERO O=C(CCN1CCO[C@@H](C(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801559192 1235836109 /nfs/dbraw/zinc/83/61/09/1235836109.db2.gz FQRPEURLZXFKEA-GFCCVEGCSA-N 1 0 347.293 2.028 10 5 EEBERO O=C(CN[C@@H]1CC[NH2+]C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000903465029 1240551929 /nfs/dbraw/zinc/55/19/29/1240551929.db2.gz DAZUQPMKSYCJSE-CYBMUJFWSA-N 1 0 338.795 2.061 10 5 EEBERO C[C@H]([NH3+])C1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857763920 1293910703 /nfs/dbraw/zinc/91/07/03/1293910703.db2.gz AWPZGJGTDJHJIG-JTQLQIEISA-N 1 0 343.330 2.152 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000858822403 1294236627 /nfs/dbraw/zinc/23/66/27/1294236627.db2.gz CLXVRVMSOUFNHT-UHFFFAOYSA-N 1 0 334.420 2.258 10 5 EEBERO Cc1ccccc1CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001276977005 1300625892 /nfs/dbraw/zinc/62/58/92/1300625892.db2.gz NFBNCZWZDILPCR-VDHUWJSZSA-N 1 0 345.443 2.077 10 5 EEBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856156 1315624943 /nfs/dbraw/zinc/62/49/43/1315624943.db2.gz OVWHYHTZJWYLCO-ZANVPECISA-N 1 0 326.784 2.045 10 5 EEBERO Cc1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c(N)c([N+](=O)[O-])c1 ZINC001149198624 1315930669 /nfs/dbraw/zinc/93/06/69/1315930669.db2.gz ZPDSEIJHIRNSNB-KBPBESRZSA-N 1 0 332.404 2.088 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001263996144 1322580409 /nfs/dbraw/zinc/58/04/09/1322580409.db2.gz UQLMXADBVYVGES-PEXQALLHSA-N 1 0 341.770 2.457 10 5 EEBERO CC1(C)CC[N@H+](CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001289679546 1328039424 /nfs/dbraw/zinc/03/94/24/1328039424.db2.gz SDFHEZNBEFUSFI-UHFFFAOYSA-N 1 0 334.420 2.245 10 5 EEBERO C/C=C(\C)C(=O)N1CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001328155330 1334406649 /nfs/dbraw/zinc/40/66/49/1334406649.db2.gz XGDCZQUPALZOEW-LZWSPWQCSA-N 1 0 347.415 2.004 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC001472449547 1338438119 /nfs/dbraw/zinc/43/81/19/1338438119.db2.gz WYDQWURSRTWICA-GFCCVEGCSA-N 1 0 328.372 2.309 10 5 EEBERO COCC[N@H+](C)CCCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001559067518 1342496989 /nfs/dbraw/zinc/49/69/89/1342496989.db2.gz DHBVHBIXSNELSQ-UHFFFAOYSA-N 1 0 336.367 2.084 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC001583504255 1344909591 /nfs/dbraw/zinc/90/95/91/1344909591.db2.gz DMLQDVCUBZWWMQ-UHFFFAOYSA-N 1 0 332.404 2.389 10 5 EEBERO C[C@@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1C ZINC001596461090 1349906995 /nfs/dbraw/zinc/90/69/95/1349906995.db2.gz KOKAQWOXQBIIFA-MNOVXSKESA-N 1 0 325.796 2.342 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC001598113790 1349935608 /nfs/dbraw/zinc/93/56/08/1349935608.db2.gz XFAWMFNLKOBBSO-NXEZZACHSA-N 1 0 340.811 2.385 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001630205101 1352565457 /nfs/dbraw/zinc/56/54/57/1352565457.db2.gz YRKKHMIOTPIKGH-WDEREUQCSA-N 1 0 340.811 2.433 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001654027245 1354138434 /nfs/dbraw/zinc/13/84/34/1354138434.db2.gz NGRYDORPSFUUDG-INIZCTEOSA-N 1 0 334.420 2.340 10 5 EEBERO CC[C@H]([NH2+]C[C@@H](O)CN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001658034425 1354352115 /nfs/dbraw/zinc/35/21/15/1354352115.db2.gz CICWSKMAOIHYOW-KGLIPLIRSA-N 1 0 349.353 2.491 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(CC)cn1 ZINC001668619777 1355974518 /nfs/dbraw/zinc/97/45/18/1355974518.db2.gz VFDGZZFTRJUPET-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO O=C(Cc1ccco1)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001669097065 1356092840 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XFQUNBWNWZJEIR-AWEZNQCLSA-N 1 0 348.359 2.216 10 5 EEBERO COC(=O)[C@]12C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000369707662 797073274 /nfs/dbraw/zinc/07/32/74/797073274.db2.gz VJDLNVSCPNSTPV-RVSPLBMKSA-N 1 0 334.372 2.167 10 5 EEBERO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000922162074 799594116 /nfs/dbraw/zinc/59/41/16/799594116.db2.gz JIELDVPNOWAOAE-AWEZNQCLSA-N 1 0 332.404 2.019 10 5 EEBERO Cc1ncc(CC(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001479775136 1098951630 /nfs/dbraw/zinc/95/16/30/1098951630.db2.gz QAHKTCJNTWNEQY-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO Cc1c(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccn1C ZINC001479795421 1099009103 /nfs/dbraw/zinc/00/91/03/1099009103.db2.gz OISKIFNFVVGMDH-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO CC[N@H+](CCCNC(=O)c1n[nH]cc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001479843363 1099133685 /nfs/dbraw/zinc/13/36/85/1099133685.db2.gz UXQFUTLEVUQYGN-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001446377487 1100752477 /nfs/dbraw/zinc/75/24/77/1100752477.db2.gz QHKIOOWMTMCQRH-PXAZEXFGSA-N 1 0 344.415 2.266 10 5 EEBERO C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1)[NH+](C)C ZINC001510033973 1115961029 /nfs/dbraw/zinc/96/10/29/1115961029.db2.gz NKTUHVKPAJIPGJ-ZDUSSCGKSA-N 1 0 344.419 2.404 10 5 EEBERO CCC[NH2+][C@H](COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440739 214056798 /nfs/dbraw/zinc/05/67/98/214056798.db2.gz ISPABLSBNZEKOK-SNVBAGLBSA-N 1 0 336.175 2.134 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000040690817 213369504 /nfs/dbraw/zinc/36/95/04/213369504.db2.gz KDRDZWTYAWRIPB-SNVBAGLBSA-N 1 0 342.193 2.181 10 5 EEBERO CN(c1ncnc(NC2CCCC2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040661125 213365759 /nfs/dbraw/zinc/36/57/59/213365759.db2.gz YGMCWNZXHRSDKF-UHFFFAOYSA-N 1 0 334.424 2.270 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000054456278 292139839 /nfs/dbraw/zinc/13/98/39/292139839.db2.gz OMMXARQFCNAVNF-ZDUSSCGKSA-N 1 0 334.401 2.392 10 5 EEBERO CC1(C)CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC[C@@H]1[NH3+] ZINC000261634846 160403244 /nfs/dbraw/zinc/40/32/44/160403244.db2.gz FTPGBAZUNKSPOJ-ZDUSSCGKSA-N 1 0 331.376 2.204 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000119310557 159377103 /nfs/dbraw/zinc/37/71/03/159377103.db2.gz VFDRWSLZKRNIRW-QMTHXVAHSA-N 1 0 349.416 2.192 10 5 EEBERO CN(C)c1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000189537647 160143395 /nfs/dbraw/zinc/14/33/95/160143395.db2.gz MPQBUYHRWWRRLQ-UHFFFAOYSA-N 1 0 331.376 2.423 10 5 EEBERO Cn1ncc(Br)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000344087269 161197125 /nfs/dbraw/zinc/19/71/25/161197125.db2.gz IBRNTMJWUPJAHQ-UHFFFAOYSA-N 1 0 339.193 2.423 10 5 EEBERO COCC[C@H]1CCCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368769025 166124067 /nfs/dbraw/zinc/12/40/67/166124067.db2.gz DTLDIZDZQZNVDL-CYBMUJFWSA-N 1 0 335.404 2.332 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)n1 ZINC000274708129 269044785 /nfs/dbraw/zinc/04/47/85/269044785.db2.gz BEDJMPDYWURFNY-UHFFFAOYSA-N 1 0 337.424 2.103 10 5 EEBERO COc1cc(C[NH2+]CC2(CF)CCOCC2)c([N+](=O)[O-])cc1OC ZINC000449483469 274093968 /nfs/dbraw/zinc/09/39/68/274093968.db2.gz AVJMUIVGLAUQPQ-UHFFFAOYSA-N 1 0 342.367 2.468 10 5 EEBERO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362508469 274484886 /nfs/dbraw/zinc/48/48/86/274484886.db2.gz HDBNOCOSDTXEFE-LLVKDONJSA-N 1 0 341.358 2.406 10 5 EEBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000286444796 274872683 /nfs/dbraw/zinc/87/26/83/274872683.db2.gz QJQFSWJGRGPOOU-STQMWFEESA-N 1 0 340.811 2.333 10 5 EEBERO COC(=O)c1cc(C)nc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000286451558 274873087 /nfs/dbraw/zinc/87/30/87/274873087.db2.gz ROJLYAVEONKOSY-UHFFFAOYSA-N 1 0 348.403 2.371 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000360251308 278076685 /nfs/dbraw/zinc/07/66/85/278076685.db2.gz RREXIUFGUXQWLS-UHFFFAOYSA-N 1 0 332.335 2.464 10 5 EEBERO C[C@H](O)[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000414593731 313044877 /nfs/dbraw/zinc/04/48/77/313044877.db2.gz RGAUOJZLXXLYRK-YVEFUNNKSA-N 1 0 332.356 2.436 10 5 EEBERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415705676 313169856 /nfs/dbraw/zinc/16/98/56/313169856.db2.gz UBPCNWZTBDCVAR-BQBZGAKWSA-N 1 0 331.170 2.215 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417859399 313621965 /nfs/dbraw/zinc/62/19/65/313621965.db2.gz WDONMNHSLPJODN-CFVMTHIKSA-N 1 0 332.404 2.358 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425281270 314371923 /nfs/dbraw/zinc/37/19/23/314371923.db2.gz IUGBMIAAPZOIGW-WMLDXEAASA-N 1 0 346.431 2.263 10 5 EEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567506667 319386243 /nfs/dbraw/zinc/38/62/43/319386243.db2.gz YOKXYVHBXZEZSP-CQSZACIVSA-N 1 0 333.432 2.482 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125863445 463586992 /nfs/dbraw/zinc/58/69/92/463586992.db2.gz KSNWHZAWBNVJJP-AAEUAGOBSA-N 1 0 341.433 2.283 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342220927 465303609 /nfs/dbraw/zinc/30/36/09/465303609.db2.gz JGMWDLRGWYGKLV-RYUDHWBXSA-N 1 0 345.403 2.918 10 5 EEBERO CCOc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113226846 462578489 /nfs/dbraw/zinc/57/84/89/462578489.db2.gz JGLPNFVSTAEXNR-JSGCOSHPSA-N 1 0 333.388 2.302 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000127841849 462587144 /nfs/dbraw/zinc/58/71/44/462587144.db2.gz GXGSKLJILAMJDC-GJZGRUSLSA-N 1 0 343.387 2.164 10 5 EEBERO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCC1 ZINC000128237238 462621325 /nfs/dbraw/zinc/62/13/25/462621325.db2.gz SAEVXFWUVSMACD-OAHLLOKOSA-N 1 0 349.435 2.401 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000047143227 462748560 /nfs/dbraw/zinc/74/85/60/462748560.db2.gz IADAVTXKGXVMBG-NSHDSACASA-N 1 0 331.376 2.075 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116749148 462771507 /nfs/dbraw/zinc/77/15/07/462771507.db2.gz WEDXQLTVAVJUSW-GFCCVEGCSA-N 1 0 341.795 2.180 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000154758939 462806056 /nfs/dbraw/zinc/80/60/56/462806056.db2.gz ZIIGIHRLZGXQCZ-UHFFFAOYSA-N 1 0 332.404 2.389 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000155387125 462885188 /nfs/dbraw/zinc/88/51/88/462885188.db2.gz HFGFKNAEIGUQNX-HIFRSBDPSA-N 1 0 334.420 2.242 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000022307389 463048755 /nfs/dbraw/zinc/04/87/55/463048755.db2.gz WGIQHHOOZOCKHM-UHFFFAOYSA-N 1 0 342.399 2.459 10 5 EEBERO [NH3+][C@H]1CCC[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160909876 463381633 /nfs/dbraw/zinc/38/16/33/463381633.db2.gz OFLNDNMGCVYVRF-HOTGVXAUSA-N 1 0 333.388 2.092 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000105805653 463468538 /nfs/dbraw/zinc/46/85/38/463468538.db2.gz CIKZRDRMAPRQCJ-UHFFFAOYSA-N 1 0 343.387 2.340 10 5 EEBERO Cc1c(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000262203673 463971344 /nfs/dbraw/zinc/97/13/44/463971344.db2.gz KSOSBRYDMRBPFI-QIIPPGSGSA-N 1 0 347.415 2.052 10 5 EEBERO COC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000285254092 464500428 /nfs/dbraw/zinc/50/04/28/464500428.db2.gz IOWSOEQPUSPPHN-UHFFFAOYSA-N 1 0 329.356 2.451 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000246489807 464591426 /nfs/dbraw/zinc/59/14/26/464591426.db2.gz WDXMVFHEFMCTDG-ZBFHGGJFSA-N 1 0 332.404 2.363 10 5 EEBERO COC(=O)[C@@H](C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176222334 464724511 /nfs/dbraw/zinc/72/45/11/464724511.db2.gz WBFBMWJLNYQCIK-AWEZNQCLSA-N 1 0 346.387 2.103 10 5 EEBERO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000183288597 464843556 /nfs/dbraw/zinc/84/35/56/464843556.db2.gz CIEYWWWWLTWMOA-NSHDSACASA-N 1 0 347.462 2.199 10 5 EEBERO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000266945246 464880677 /nfs/dbraw/zinc/88/06/77/464880677.db2.gz RELPHBHUSZRXDM-JLZZUVOBSA-N 1 0 348.378 2.374 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@@H]1c1cccs1 ZINC000353320398 465794792 /nfs/dbraw/zinc/79/47/92/465794792.db2.gz WWANVNTVHUIVSN-QMTHXVAHSA-N 1 0 349.416 2.192 10 5 EEBERO CN(C)c1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1C ZINC000569216136 468456711 /nfs/dbraw/zinc/45/67/11/468456711.db2.gz SMIGIFZBMKRCAF-UHFFFAOYSA-N 1 0 342.403 2.208 10 5 EEBERO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[N@@H+]1CCC[C@@H](C)C1 ZINC000301687773 466010927 /nfs/dbraw/zinc/01/09/27/466010927.db2.gz MIJGNBUWRKIWRW-VXGBXAGGSA-N 1 0 348.403 2.458 10 5 EEBERO COC(=O)CC1([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000338323543 466026597 /nfs/dbraw/zinc/02/65/97/466026597.db2.gz YUSGXDXZDBXMIH-UHFFFAOYSA-N 1 0 349.387 2.307 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nn21 ZINC000301947215 466065821 /nfs/dbraw/zinc/06/58/21/466065821.db2.gz HOARCSRNTKKOQW-JSGCOSHPSA-N 1 0 342.403 2.091 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000302271320 466127352 /nfs/dbraw/zinc/12/73/52/466127352.db2.gz HHXBQTVLTJZNPO-VXGBXAGGSA-N 1 0 332.187 2.421 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600227451 468501075 /nfs/dbraw/zinc/50/10/75/468501075.db2.gz CLVNCFIFJITTTM-CQSZACIVSA-N 1 0 332.404 2.435 10 5 EEBERO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227448 468501184 /nfs/dbraw/zinc/50/11/84/468501184.db2.gz CKOSBACAKOWQEE-CYBMUJFWSA-N 1 0 349.435 2.407 10 5 EEBERO Cc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000324702496 466649068 /nfs/dbraw/zinc/64/90/68/466649068.db2.gz YLVCLCCYUOWCDY-KRWDZBQOSA-N 1 0 330.384 2.475 10 5 EEBERO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000411748369 466892767 /nfs/dbraw/zinc/89/27/67/466892767.db2.gz RTUSAVMHCFZWNJ-GFCCVEGCSA-N 1 0 337.376 2.043 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](c4nnc[nH]4)C3)co2)cc1 ZINC000425549813 467108654 /nfs/dbraw/zinc/10/86/54/467108654.db2.gz OGSFKNATALVBGW-LBPRGKRZSA-N 1 0 340.343 2.357 10 5 EEBERO Cn1cc(C[NH2+]CC2=CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449404632 467640047 /nfs/dbraw/zinc/64/00/47/467640047.db2.gz VXYNVNGBCURENA-UHFFFAOYSA-N 1 0 328.372 2.432 10 5 EEBERO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+](CCCO)CC3)n2)cc1 ZINC000450295184 467819960 /nfs/dbraw/zinc/81/99/60/467819960.db2.gz VTKYOWQTRTZJPA-UHFFFAOYSA-N 1 0 348.428 2.223 10 5 EEBERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531884143 468082601 /nfs/dbraw/zinc/08/26/01/468082601.db2.gz QRDLSTISVWYRLD-STQMWFEESA-N 1 0 334.420 2.476 10 5 EEBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531883851 468082606 /nfs/dbraw/zinc/08/26/06/468082606.db2.gz RZVZJNWKUCLWEE-VNHYZAJKSA-N 1 0 332.404 2.467 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1 ZINC000589509597 468157618 /nfs/dbraw/zinc/15/76/18/468157618.db2.gz PESXWBHCCSOGTQ-XJKSGUPXSA-N 1 0 336.388 2.364 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1 ZINC000589509595 468157730 /nfs/dbraw/zinc/15/77/30/468157730.db2.gz PESXWBHCCSOGTQ-CZUORRHYSA-N 1 0 336.388 2.364 10 5 EEBERO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503266 468158211 /nfs/dbraw/zinc/15/82/11/468158211.db2.gz NDWPCXYNTMUPDQ-ZDUSSCGKSA-N 1 0 335.404 2.155 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442052 468257517 /nfs/dbraw/zinc/25/75/17/468257517.db2.gz GBRBUWZZNYUOCI-NOZJJQNGSA-N 1 0 343.305 2.390 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590445672 468259924 /nfs/dbraw/zinc/25/99/24/468259924.db2.gz RIVIKFFHZRGSIR-YWPYICTPSA-N 1 0 335.429 2.238 10 5 EEBERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000534519604 468261325 /nfs/dbraw/zinc/26/13/25/468261325.db2.gz VBDFCTSYBSTPOI-AWEZNQCLSA-N 1 0 346.431 2.393 10 5 EEBERO COc1c(C)cccc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594576819 468624791 /nfs/dbraw/zinc/62/47/91/468624791.db2.gz AVFCHVVYMZDYFN-HNNXBMFYSA-N 1 0 346.383 2.441 10 5 EEBERO C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000597695097 468641120 /nfs/dbraw/zinc/64/11/20/468641120.db2.gz QALCMRACVWHJEB-XKQJLSEDSA-N 1 0 347.415 2.020 10 5 EEBERO Cn1cnc(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000592394115 468689932 /nfs/dbraw/zinc/68/99/32/468689932.db2.gz MSBYWSKEBTWSGZ-OAHLLOKOSA-N 1 0 329.404 2.267 10 5 EEBERO CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000592427080 468695984 /nfs/dbraw/zinc/69/59/84/468695984.db2.gz ZDVWYBCRIDUBHK-PBWFPOADSA-N 1 0 333.388 2.081 10 5 EEBERO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000597946343 468721354 /nfs/dbraw/zinc/72/13/54/468721354.db2.gz OTRNJMPEIOKDSI-CYBMUJFWSA-N 1 0 325.796 2.343 10 5 EEBERO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCOC1 ZINC000594950151 468728868 /nfs/dbraw/zinc/72/88/68/468728868.db2.gz JKPAQXJYHFYYMB-HZMBPMFUSA-N 1 0 346.330 2.337 10 5 EEBERO CC(C)c1ccc(C[NH2+]C2CN(c3ccncn3)C2)cc1[N+](=O)[O-] ZINC000601158270 468764482 /nfs/dbraw/zinc/76/44/82/468764482.db2.gz QKKHGPBIVKYWDK-UHFFFAOYSA-N 1 0 327.388 2.487 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000593030106 468845701 /nfs/dbraw/zinc/84/57/01/468845701.db2.gz KIXNVJCUVGGKJX-NUEKZKHPSA-N 1 0 346.383 2.429 10 5 EEBERO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C(C)(C)C1 ZINC000593100303 468872329 /nfs/dbraw/zinc/87/23/29/468872329.db2.gz HTFMATHLZBHSAQ-UHFFFAOYSA-N 1 0 337.420 2.146 10 5 EEBERO Cc1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000598541239 468907523 /nfs/dbraw/zinc/90/75/23/468907523.db2.gz HJWNJEGJIWUCIA-OAHLLOKOSA-N 1 0 335.404 2.086 10 5 EEBERO Cc1c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000598544110 468907950 /nfs/dbraw/zinc/90/79/50/468907950.db2.gz ORIFXQLJPYFBNT-CQSZACIVSA-N 1 0 335.404 2.086 10 5 EEBERO CCS(=O)(=O)C[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561784394 468909555 /nfs/dbraw/zinc/90/95/55/468909555.db2.gz ZVOLAGYQKADIIP-NSHDSACASA-N 1 0 339.417 2.031 10 5 EEBERO C[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000610478422 468980306 /nfs/dbraw/zinc/98/03/06/468980306.db2.gz XVADPNZYBRJIIU-GFCCVEGCSA-N 1 0 346.391 2.236 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595742735 468983280 /nfs/dbraw/zinc/98/32/80/468983280.db2.gz KTFJFZHSHFGJKF-LAQFHYBYSA-N 1 0 335.404 2.181 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](C2CCOCC2)CC1 ZINC000593468827 468993812 /nfs/dbraw/zinc/99/38/12/468993812.db2.gz QSPIWAWMGQHFPH-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906731 469074753 /nfs/dbraw/zinc/07/47/53/469074753.db2.gz MKJXUIGURUVING-QGZVFWFLSA-N 1 0 337.420 2.016 10 5 EEBERO COc1cc(CNCCC[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1O ZINC000593645251 469077635 /nfs/dbraw/zinc/07/76/35/469077635.db2.gz HESKEKQOPQEPCK-UHFFFAOYSA-N 1 0 325.409 2.377 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000595949919 469096255 /nfs/dbraw/zinc/09/62/55/469096255.db2.gz HKTNIXDVPMZZES-OAHLLOKOSA-N 1 0 345.403 2.099 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000587977657 469097788 /nfs/dbraw/zinc/09/77/88/469097788.db2.gz SLFUNIFGUGCNKU-NSHDSACASA-N 1 0 336.392 2.227 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000593759018 469127264 /nfs/dbraw/zinc/12/72/64/469127264.db2.gz RJMGGTUNTVXEMY-UHFFFAOYSA-N 1 0 336.392 2.136 10 5 EEBERO COc1cc(NCCN(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000596424654 469262081 /nfs/dbraw/zinc/26/20/81/469262081.db2.gz JABGVRMYWZZQLW-UHFFFAOYSA-N 1 0 328.388 2.038 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599615543 469310504 /nfs/dbraw/zinc/31/05/04/469310504.db2.gz ASXJKLWOBOECOC-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO COC(=O)[C@](C)(NCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599644602 469321790 /nfs/dbraw/zinc/32/17/90/469321790.db2.gz UVOGFSXVCOZSGV-QGZVFWFLSA-N 1 0 335.404 2.059 10 5 EEBERO C[NH+](C)CCn1cc(Nc2ncnc3cccc([N+](=O)[O-])c32)cn1 ZINC000612442101 469466518 /nfs/dbraw/zinc/46/65/18/469466518.db2.gz DXFHVPQZTBIJTP-UHFFFAOYSA-N 1 0 327.348 2.040 10 5 EEBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC12CCOCC2 ZINC000618316856 469960224 /nfs/dbraw/zinc/96/02/24/469960224.db2.gz ORJICRIICIEYKL-UHFFFAOYSA-N 1 0 347.371 2.148 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2[nH+]ccn2c1 ZINC000610032177 469975506 /nfs/dbraw/zinc/97/55/06/469975506.db2.gz FJXCWRYOPCJBDZ-UHFFFAOYSA-N 1 0 348.340 2.052 10 5 EEBERO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000531635059 485539200 /nfs/dbraw/zinc/53/92/00/485539200.db2.gz FWAVSJFFMSWZRT-AWEZNQCLSA-N 1 0 332.360 2.396 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)n2)c1 ZINC000756881776 577852230 /nfs/dbraw/zinc/85/22/30/577852230.db2.gz HAUREUPTFLSPSJ-ZBFHGGJFSA-N 1 0 343.387 2.312 10 5 EEBERO CC[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000896853528 685396524 /nfs/dbraw/zinc/39/65/24/685396524.db2.gz NRWYKHVZMZYXFP-QGZVFWFLSA-N 1 0 347.415 2.273 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCC1CCOCC1 ZINC001481286147 1180855444 /nfs/dbraw/zinc/85/54/44/1180855444.db2.gz COSKTAXAVSCSQE-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccns1 ZINC001269423402 1184255637 /nfs/dbraw/zinc/25/56/37/1184255637.db2.gz WTKQMGBUUXIEAY-UHFFFAOYSA-N 1 0 332.385 2.104 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc(C2CCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483007671 1187989761 /nfs/dbraw/zinc/98/97/61/1187989761.db2.gz NPWGFTPVTCAOKY-FKAFAWJWSA-N 1 0 343.427 2.381 10 5 EEBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)c1ccc[nH]1 ZINC001273041079 1194345075 /nfs/dbraw/zinc/34/50/75/1194345075.db2.gz XDYISMYGOBEVHF-UHFFFAOYSA-N 1 0 334.401 2.427 10 5 EEBERO C[NH+](C)C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865924647 1198425666 /nfs/dbraw/zinc/42/56/66/1198425666.db2.gz UHBDIRPLRAQZAY-OAHLLOKOSA-N 1 0 329.347 2.425 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1N1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC000866017440 1198455385 /nfs/dbraw/zinc/45/53/85/1198455385.db2.gz UEMTVLDJOYOCGT-UHFFFAOYSA-N 1 0 341.415 2.312 10 5 EEBERO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866531869 1201542713 /nfs/dbraw/zinc/54/27/13/1201542713.db2.gz JEDLFXFQVJRSHQ-JSGCOSHPSA-N 1 0 335.404 2.413 10 5 EEBERO Cc1c(NC(=O)CCN2CCC[C@@H]3[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000866720593 1201589170 /nfs/dbraw/zinc/58/91/70/1201589170.db2.gz GRCOIELLVBCQGG-GOEBONIOSA-N 1 0 332.404 2.058 10 5 EEBERO O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000866720972 1201589277 /nfs/dbraw/zinc/58/92/77/1201589277.db2.gz QHYYJLPEUQJQCL-AAEUAGOBSA-N 1 0 338.795 2.013 10 5 EEBERO O=C(N[C@H]1CCCN(CC[N+](=O)[O-])C1)c1ccc2ccccc2c1 ZINC000930026487 1206529802 /nfs/dbraw/zinc/52/98/02/1206529802.db2.gz HDMHCLCTONETAC-KRWDZBQOSA-N 1 0 327.384 2.311 10 5 EEBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)C3(O)CCCC3)C2)cc1 ZINC000930641228 1206572543 /nfs/dbraw/zinc/57/25/43/1206572543.db2.gz WQGCQYVLFDCOON-RDJZCZTQSA-N 1 0 334.416 2.440 10 5 EEBERO COc1c[nH+]ccc1N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000801555524 1235830644 /nfs/dbraw/zinc/83/06/44/1235830644.db2.gz NJDULTBDEIBBRH-UHFFFAOYSA-N 1 0 346.362 2.460 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CN1CCCC[C@]3(CC[NH2+]C3)C1)OCCO2 ZINC000903959628 1242731480 /nfs/dbraw/zinc/73/14/80/1242731480.db2.gz LEDZKDXAZKRULR-GOSISDBHSA-N 1 0 347.415 2.332 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973227 1242807183 /nfs/dbraw/zinc/80/71/83/1242807183.db2.gz BTGTYTKUBNASSV-OAHLLOKOSA-N 1 0 349.431 2.242 10 5 EEBERO CC[N@H+](CCNC(=O)CC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001267237451 1276663795 /nfs/dbraw/zinc/66/37/95/1276663795.db2.gz KYYMLJAGSNTYOR-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO Nc1cc[nH+]c2c1CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC001197104788 1284461045 /nfs/dbraw/zinc/46/10/45/1284461045.db2.gz LDGCFOVEQMLBLG-UHFFFAOYSA-N 1 0 325.328 2.272 10 5 EEBERO Cc1nc(CC2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001198000574 1284921528 /nfs/dbraw/zinc/92/15/28/1284921528.db2.gz HPRXGDSOEKQGHQ-MRXNPFEDSA-N 1 0 346.387 2.274 10 5 EEBERO COc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000853989974 1292573243 /nfs/dbraw/zinc/57/32/43/1292573243.db2.gz ICGPVJZKCQJZFI-CQSZACIVSA-N 1 0 337.420 2.459 10 5 EEBERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000854514461 1292825337 /nfs/dbraw/zinc/82/53/37/1292825337.db2.gz CTNGNWNYOMQHPA-IUODEOHRSA-N 1 0 341.371 2.074 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+](C)C)CCc2ccccc21 ZINC000857930156 1293956759 /nfs/dbraw/zinc/95/67/59/1293956759.db2.gz FQUDYQJBMBZSLW-CQSZACIVSA-N 1 0 342.399 2.457 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000859955308 1294723951 /nfs/dbraw/zinc/72/39/51/1294723951.db2.gz UGHSHEUIFWGOCI-NCOADZHNSA-N 1 0 348.399 2.292 10 5 EEBERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001142016796 1315421604 /nfs/dbraw/zinc/42/16/04/1315421604.db2.gz PMVPOJIPZQFJNE-SECBINFHSA-N 1 0 331.804 2.212 10 5 EEBERO CC(C)(C(=O)NC[C@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC001158260886 1319120515 /nfs/dbraw/zinc/12/05/15/1319120515.db2.gz GPCPILSHSOXAEI-AWEZNQCLSA-N 1 0 331.416 2.330 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001258067242 1319164780 /nfs/dbraw/zinc/16/47/80/1319164780.db2.gz OXBABKASLQAITQ-OLZOCXBDSA-N 1 0 336.392 2.370 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001263620040 1322495453 /nfs/dbraw/zinc/49/54/53/1322495453.db2.gz JYEZUMZVJRJWSI-CQSZACIVSA-N 1 0 349.387 2.047 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001263996146 1322580592 /nfs/dbraw/zinc/58/05/92/1322580592.db2.gz UQLMXADBVYVGES-XRNSZHNASA-N 1 0 341.770 2.457 10 5 EEBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC001299821515 1330168131 /nfs/dbraw/zinc/16/81/31/1330168131.db2.gz KCXOUGGUCPCHKL-HZPDHXFCSA-N 1 0 344.415 2.394 10 5 EEBERO CCc1n[nH]c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001305227222 1331414596 /nfs/dbraw/zinc/41/45/96/1331414596.db2.gz URTGMAGNSMFBEN-JSGCOSHPSA-N 1 0 349.435 2.215 10 5 EEBERO C[N@H+](CCNC(=O)CCc1cscn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317472476 1331548240 /nfs/dbraw/zinc/54/82/40/1331548240.db2.gz CURPLORPFMKWEN-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)COc1ccccc1 ZINC001317654673 1332351685 /nfs/dbraw/zinc/35/16/85/1332351685.db2.gz OGTUJGKGBOHREJ-UHFFFAOYSA-N 1 0 343.383 2.222 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1=COCCC1 ZINC001320692870 1332936236 /nfs/dbraw/zinc/93/62/36/1332936236.db2.gz AALZLNIBKZNHAC-UHFFFAOYSA-N 1 0 339.417 2.289 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001330324398 1334823524 /nfs/dbraw/zinc/82/35/24/1334823524.db2.gz UBMGCZMVWSQAOZ-VIFPVBQESA-N 1 0 333.314 2.022 10 5 EEBERO C[C@H](NC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC001565297447 1342554029 /nfs/dbraw/zinc/55/40/29/1342554029.db2.gz YPTRPSTZDMBODI-AHIWAGSCSA-N 1 0 332.404 2.249 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+][C@@H](CO)C2CCCC2)o1 ZINC001643310008 1352745540 /nfs/dbraw/zinc/74/55/40/1352745540.db2.gz ZDWNCICXCHFKGQ-ZDUSSCGKSA-N 1 0 332.360 2.286 10 5 EEBERO Cc1cc(C(=O)NCCCCc2cc[nH+]c(N)c2)c(N)c([N+](=O)[O-])c1 ZINC001654068961 1354139866 /nfs/dbraw/zinc/13/98/66/1354139866.db2.gz LMGVSKZZYBMWEE-UHFFFAOYSA-N 1 0 343.387 2.215 10 5 EEBERO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001654797130 1354158017 /nfs/dbraw/zinc/15/80/17/1354158017.db2.gz BNONZLMEVKHRDH-CYBMUJFWSA-N 1 0 346.431 2.142 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC001655474765 1354174622 /nfs/dbraw/zinc/17/46/22/1354174622.db2.gz MKJQKVDJLPXXCA-GUYCJALGSA-N 1 0 334.372 2.379 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(C)(C)O ZINC001673429683 1356689970 /nfs/dbraw/zinc/68/99/70/1356689970.db2.gz NZSRHDWQMWYTTL-UHFFFAOYSA-N 1 0 337.420 2.036 10 5 EEBERO CC(C)=CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001699880797 1405547950 /nfs/dbraw/zinc/54/79/50/1405547950.db2.gz HHIIMVBBSDRGRR-UHFFFAOYSA-N 1 0 347.415 2.316 10 5 EEBERO CN1CC[N@H+](C)CC(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000908076054 785065647 /nfs/dbraw/zinc/06/56/47/785065647.db2.gz MVUDNPKUEQWSSY-UHFFFAOYSA-N 1 0 348.447 2.324 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818579624 785297374 /nfs/dbraw/zinc/29/73/74/785297374.db2.gz KTNCGJVBMWXWDU-PELKAZGASA-N 1 0 329.759 2.044 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)n1ccnc1 ZINC000912617380 788257258 /nfs/dbraw/zinc/25/72/58/788257258.db2.gz RZJFHQFQLPWNDD-UHFFFAOYSA-N 1 0 331.376 2.022 10 5 EEBERO C[N@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000825432223 788605806 /nfs/dbraw/zinc/60/58/06/788605806.db2.gz HRAWDJSPGDLYPN-INIZCTEOSA-N 1 0 335.404 2.009 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913291481 788767547 /nfs/dbraw/zinc/76/75/47/788767547.db2.gz WXFGMQBISDUZBP-QZTJIDSGSA-N 1 0 347.415 2.164 10 5 EEBERO C[NH+](C)C1(C)CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000913399217 788839944 /nfs/dbraw/zinc/83/99/44/788839944.db2.gz WMUWWTASGOZOMV-UHFFFAOYSA-N 1 0 339.367 2.055 10 5 EEBERO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000131406644 789799265 /nfs/dbraw/zinc/79/92/65/789799265.db2.gz ISEAAQMTISPJGP-UHFFFAOYSA-N 1 0 334.397 2.467 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001128216625 798362336 /nfs/dbraw/zinc/36/23/36/798362336.db2.gz HGKJNHQGRNCVKT-CQSZACIVSA-N 1 0 343.387 2.179 10 5 EEBERO COc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000922522171 801237509 /nfs/dbraw/zinc/23/75/09/801237509.db2.gz BYKMQHUKUWJOJX-ZFWWWQNUSA-N 1 0 337.445 2.273 10 5 EEBERO CS(=O)(=O)C[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000922828794 801981055 /nfs/dbraw/zinc/98/10/55/801981055.db2.gz ZXXAXMREFLFJGN-INIZCTEOSA-N 1 0 343.448 2.488 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC001497558446 1102666602 /nfs/dbraw/zinc/66/66/02/1102666602.db2.gz LYRAYUGTZKDBTC-ONEGZZNKSA-N 1 0 339.342 2.402 10 5 EEBERO CNc1c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC001454183320 1106838898 /nfs/dbraw/zinc/83/88/98/1106838898.db2.gz YUEHQXXLRPXNII-KBPBESRZSA-N 1 0 332.404 2.239 10 5 EEBERO C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001460755549 1110323078 /nfs/dbraw/zinc/32/30/78/1110323078.db2.gz FQPMCQSUFDYAGJ-GFCCVEGCSA-N 1 0 348.403 2.404 10 5 EEBERO O=C(Nc1ccc2c[nH+]cn2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001472133474 1110546610 /nfs/dbraw/zinc/54/66/10/1110546610.db2.gz CGEZMRSANHAKJG-UHFFFAOYSA-N 1 0 340.295 2.266 10 5 EEBERO O=C(Cc1ccoc1)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001479361762 1110686540 /nfs/dbraw/zinc/68/65/40/1110686540.db2.gz FBMVSRHUNFTYGI-MQMHXKEQSA-N 1 0 349.412 2.476 10 5 EEBERO CC1(C)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC001520921808 1119202464 /nfs/dbraw/zinc/20/24/64/1119202464.db2.gz ISTVEANRAKZCDS-UHFFFAOYSA-N 1 0 335.404 2.353 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173171859 230888669 /nfs/dbraw/zinc/88/86/69/230888669.db2.gz XYIJBRDMWMOOIP-KRWDZBQOSA-N 1 0 341.411 2.426 10 5 EEBERO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067652760 215174631 /nfs/dbraw/zinc/17/46/31/215174631.db2.gz XRAAHKVTDIMFQD-MRXNPFEDSA-N 1 0 335.404 2.306 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc([C@@H](C)[NH3+])n1 ZINC000071696935 215796996 /nfs/dbraw/zinc/79/69/96/215796996.db2.gz MFWRXXSGGHCACU-MRVPVSSYSA-N 1 0 336.373 2.261 10 5 EEBERO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000117399084 221059806 /nfs/dbraw/zinc/05/98/06/221059806.db2.gz GMSBJLBMDLRBNZ-AWEZNQCLSA-N 1 0 336.392 2.169 10 5 EEBERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552657 292219452 /nfs/dbraw/zinc/21/94/52/292219452.db2.gz HJRMWNQMQYFSQD-CYBMUJFWSA-N 1 0 331.372 2.025 10 5 EEBERO CCOCC[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000105835395 159308439 /nfs/dbraw/zinc/30/84/39/159308439.db2.gz QBDDZOUQDXLXQA-HNNXBMFYSA-N 1 0 337.420 2.016 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246236753 160269582 /nfs/dbraw/zinc/26/95/82/160269582.db2.gz UASQARLIBRQNEL-INIZCTEOSA-N 1 0 346.431 2.402 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000246854275 160297743 /nfs/dbraw/zinc/29/77/43/160297743.db2.gz CPEVSVIJHPCWFK-HIFRSBDPSA-N 1 0 333.388 2.059 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000247081915 160309365 /nfs/dbraw/zinc/30/93/65/160309365.db2.gz ZNMTUQTYGUWATN-KGLIPLIRSA-N 1 0 333.388 2.302 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247265535 160317646 /nfs/dbraw/zinc/31/76/46/160317646.db2.gz FGVMAULNVUTWFM-WFASDCNBSA-N 1 0 335.404 2.406 10 5 EEBERO CCNC(=O)C[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000342052866 161035661 /nfs/dbraw/zinc/03/56/61/161035661.db2.gz VWSUHUYNQWJUCX-LBPRGKRZSA-N 1 0 345.403 2.352 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)n1 ZINC000342222503 161048796 /nfs/dbraw/zinc/04/87/96/161048796.db2.gz MIQTVMKAKKCTQL-RYUDHWBXSA-N 1 0 336.392 2.451 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000345637036 161318354 /nfs/dbraw/zinc/31/83/54/161318354.db2.gz UTAOFELIPLDAEN-ZDUSSCGKSA-N 1 0 340.383 2.452 10 5 EEBERO CCN1C(=O)N=NC1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000366145469 165662571 /nfs/dbraw/zinc/66/25/71/165662571.db2.gz AQJGNAQNDTVIOV-UHFFFAOYSA-N 1 0 345.403 2.334 10 5 EEBERO O=C1CCc2cc([N+](=O)[O-])c(N3CC[N@@H+]4CCCC[C@H]4C3)cc2N1 ZINC000245198070 275018417 /nfs/dbraw/zinc/01/84/17/275018417.db2.gz ZHJXMUIVZOAHFE-ZDUSSCGKSA-N 1 0 330.388 2.154 10 5 EEBERO CNC(=O)CCOC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000494982364 277227761 /nfs/dbraw/zinc/22/77/61/277227761.db2.gz XIHRUQMZKFRIMX-ZDUSSCGKSA-N 1 0 335.404 2.273 10 5 EEBERO CC[N@@H+]1CC[C@H]2OCCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000293778209 293292605 /nfs/dbraw/zinc/29/26/05/293292605.db2.gz ZCBBFCNGJWCOIG-AAXUHFPESA-N 1 0 331.416 2.403 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000439028742 315064381 /nfs/dbraw/zinc/06/43/81/315064381.db2.gz SHLHNDURPGOYDC-CYBMUJFWSA-N 1 0 338.408 2.118 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000441273924 315177459 /nfs/dbraw/zinc/17/74/59/315177459.db2.gz DXTUUGORQYGYEA-GJZGRUSLSA-N 1 0 347.415 2.306 10 5 EEBERO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1(C)C ZINC000444803976 315326188 /nfs/dbraw/zinc/32/61/88/315326188.db2.gz ONXRUXHMDVQMSM-WBVHZDCISA-N 1 0 338.404 2.259 10 5 EEBERO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000540969397 318088808 /nfs/dbraw/zinc/08/88/08/318088808.db2.gz CBMFDMGWYQSRHW-OLZOCXBDSA-N 1 0 332.404 2.373 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC2(CC[NH2+]2)CC1 ZINC000566208259 319260274 /nfs/dbraw/zinc/26/02/74/319260274.db2.gz HQZNSLAHWPFNHZ-UHFFFAOYSA-N 1 0 326.356 2.111 10 5 EEBERO Cc1ccc(OC[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000569450125 319576898 /nfs/dbraw/zinc/57/68/98/319576898.db2.gz URXRDYCBNIWKTH-MRXNPFEDSA-N 1 0 330.384 2.475 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000573855914 319972701 /nfs/dbraw/zinc/97/27/01/319972701.db2.gz CTEOMMMILSAYEV-UHFFFAOYSA-N 1 0 336.392 2.136 10 5 EEBERO C[NH+]1CCC(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000580928427 324152045 /nfs/dbraw/zinc/15/20/45/324152045.db2.gz HLTXMGJGBRBMLP-UHFFFAOYSA-N 1 0 330.388 2.077 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000089840176 462727387 /nfs/dbraw/zinc/72/73/87/462727387.db2.gz VUFZMRCQEXVNPZ-CQSZACIVSA-N 1 0 334.420 2.243 10 5 EEBERO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000077322985 462969166 /nfs/dbraw/zinc/96/91/66/462969166.db2.gz SBHBHNYVXURURB-UHFFFAOYSA-N 1 0 335.404 2.447 10 5 EEBERO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000156649951 463053537 /nfs/dbraw/zinc/05/35/37/463053537.db2.gz RNLILPSSCWDHQZ-UHFFFAOYSA-N 1 0 331.376 2.292 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121080391 463076461 /nfs/dbraw/zinc/07/64/61/463076461.db2.gz CQQAIKJKXJTORA-JTQLQIEISA-N 1 0 342.193 2.133 10 5 EEBERO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000136152287 463223480 /nfs/dbraw/zinc/22/34/80/463223480.db2.gz VXIFBLNJHLUIQR-CQSZACIVSA-N 1 0 335.360 2.194 10 5 EEBERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000106912059 463550348 /nfs/dbraw/zinc/55/03/48/463550348.db2.gz QXFIHXCHLATHRJ-QGZVFWFLSA-N 1 0 327.384 2.384 10 5 EEBERO CC(C)C[NH+]1CCC(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000042656165 463585102 /nfs/dbraw/zinc/58/51/02/463585102.db2.gz SBVQFCXHCUILLD-UHFFFAOYSA-N 1 0 345.403 2.135 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751296 463648105 /nfs/dbraw/zinc/64/81/05/463648105.db2.gz JQSGGBWJYHVLBE-GOSISDBHSA-N 1 0 332.448 2.197 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c2ccncc21 ZINC000193950028 463763607 /nfs/dbraw/zinc/76/36/07/463763607.db2.gz OGIAIHUJZPDUMU-ZDUSSCGKSA-N 1 0 330.388 2.402 10 5 EEBERO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000283510105 463910447 /nfs/dbraw/zinc/91/04/47/463910447.db2.gz MVVYEJWPNXGZLI-HNNXBMFYSA-N 1 0 342.403 2.065 10 5 EEBERO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000283510107 463910894 /nfs/dbraw/zinc/91/08/94/463910894.db2.gz MVVYEJWPNXGZLI-OAHLLOKOSA-N 1 0 342.403 2.065 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000172347189 464059914 /nfs/dbraw/zinc/05/99/14/464059914.db2.gz XGXABIYXZZFDKD-CYBMUJFWSA-N 1 0 332.404 2.092 10 5 EEBERO C[NH2+]C1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000237092507 464263572 /nfs/dbraw/zinc/26/35/72/464263572.db2.gz GZUMYLHDBHWOEE-UHFFFAOYSA-N 1 0 339.417 2.149 10 5 EEBERO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCN1CCO ZINC000188793400 464370822 /nfs/dbraw/zinc/37/08/22/464370822.db2.gz FORDSMKXALFMQO-ZDUSSCGKSA-N 1 0 349.431 2.031 10 5 EEBERO C[N@@H+]1CC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1ccccc1 ZINC000242047896 464456595 /nfs/dbraw/zinc/45/65/95/464456595.db2.gz VQYMHDXOOQUUNH-CXAGYDPISA-N 1 0 338.371 2.495 10 5 EEBERO COc1cc(C[NH2+][C@@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272242456 464533084 /nfs/dbraw/zinc/53/30/84/464533084.db2.gz AUJDHYBSFDQDMV-ZJUUUORDSA-N 1 0 348.346 2.354 10 5 EEBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599927544 468415555 /nfs/dbraw/zinc/41/55/55/468415555.db2.gz BNKYMSOQNGNWKD-HNNXBMFYSA-N 1 0 332.404 2.063 10 5 EEBERO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295125056 464713568 /nfs/dbraw/zinc/71/35/68/464713568.db2.gz NWDNDPZWPHTWLV-HIFRSBDPSA-N 1 0 325.796 2.153 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183128341 464803138 /nfs/dbraw/zinc/80/31/38/464803138.db2.gz MUKUDRVKHFGYCY-IAQYHMDHSA-N 1 0 337.376 2.089 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000286156864 464822130 /nfs/dbraw/zinc/82/21/30/464822130.db2.gz BVXIAORQUPUDAM-CHWSQXEVSA-N 1 0 334.376 2.124 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000192853599 465009476 /nfs/dbraw/zinc/00/94/76/465009476.db2.gz UVLYDOODFCNCTB-MRXNPFEDSA-N 1 0 328.372 2.331 10 5 EEBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1[N+](=O)[O-] ZINC000593919278 468433839 /nfs/dbraw/zinc/43/38/39/468433839.db2.gz PSNCBYMGQCPUKW-UAGQMJEPSA-N 1 0 347.415 2.404 10 5 EEBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc([N+](=O)[O-])c1 ZINC000593919267 468433992 /nfs/dbraw/zinc/43/39/92/468433992.db2.gz PPEPFJUXWOROAU-USXIJHARSA-N 1 0 347.415 2.404 10 5 EEBERO CCN(C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](C)C1 ZINC000597092095 468440388 /nfs/dbraw/zinc/44/03/88/468440388.db2.gz JSOJRPLSBPPAQI-SNVBAGLBSA-N 1 0 341.799 2.388 10 5 EEBERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000301235016 465926118 /nfs/dbraw/zinc/92/61/18/465926118.db2.gz LGTHJUNJYGYTRB-JHJVBQTASA-N 1 0 334.420 2.472 10 5 EEBERO C[N@H+](CCNc1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccccc1 ZINC000302011691 466077643 /nfs/dbraw/zinc/07/76/43/466077643.db2.gz WNHGGMGDLXZDBW-UHFFFAOYSA-N 1 0 326.360 2.181 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c(F)c1 ZINC000338478357 466158526 /nfs/dbraw/zinc/15/85/26/466158526.db2.gz WCHUOZJODLFAFW-BBRMVZONSA-N 1 0 338.379 2.391 10 5 EEBERO COC(=O)[C@]1(OC)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000600191239 468490407 /nfs/dbraw/zinc/49/04/07/468490407.db2.gz KOHVQXSSYGSHSN-VEMDQMBVSA-N 1 0 334.372 2.262 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000354542632 466635823 /nfs/dbraw/zinc/63/58/23/466635823.db2.gz BSRAFHXLTNQUPH-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO [NH3+][C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000415693152 466710877 /nfs/dbraw/zinc/71/08/77/466710877.db2.gz HQCROSXLZXJRGQ-LLVKDONJSA-N 1 0 343.181 2.216 10 5 EEBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000370196169 466794228 /nfs/dbraw/zinc/79/42/28/466794228.db2.gz XRIGWHQMYFZTQS-UHFFFAOYSA-N 1 0 343.387 2.218 10 5 EEBERO CC(C)[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531265015 468040043 /nfs/dbraw/zinc/04/00/43/468040043.db2.gz QRCYYDMSDSVEAJ-SWLSCSKDSA-N 1 0 331.372 2.205 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488116328 468072234 /nfs/dbraw/zinc/07/22/34/468072234.db2.gz OBDKVWCTSROWOW-ZDUSSCGKSA-N 1 0 330.388 2.088 10 5 EEBERO C[NH+](C)[C@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCSC1 ZINC000488118644 468072477 /nfs/dbraw/zinc/07/24/77/468072477.db2.gz BFQOUSHNRIRUET-INIZCTEOSA-N 1 0 332.429 2.414 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000589861350 468191309 /nfs/dbraw/zinc/19/13/09/468191309.db2.gz DYVBWKSUYNBFAF-NVXWUHKLSA-N 1 0 342.399 2.178 10 5 EEBERO Cc1cc(NCC(C)(C)[C@@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000591988919 468591088 /nfs/dbraw/zinc/59/10/88/468591088.db2.gz ZLZOZWUSDYVOLJ-GOSISDBHSA-N 1 0 345.399 2.463 10 5 EEBERO COc1ccc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594512654 468612357 /nfs/dbraw/zinc/61/23/57/468612357.db2.gz VJDRZDMXVRNOJZ-MELADBBJSA-N 1 0 337.420 2.191 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600710253 468628743 /nfs/dbraw/zinc/62/87/43/468628743.db2.gz MVYGKVLBHWQDEX-XHSDSOJGSA-N 1 0 329.404 2.148 10 5 EEBERO CC(C)(C)OC(=O)C1(C)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000592157392 468642529 /nfs/dbraw/zinc/64/25/29/468642529.db2.gz WNDGBXYEJMLUAB-UHFFFAOYSA-N 1 0 338.408 2.235 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600751037 468648006 /nfs/dbraw/zinc/64/80/06/468648006.db2.gz ZEWLICALYCRQDT-HDICACEKSA-N 1 0 346.431 2.163 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476037 468705956 /nfs/dbraw/zinc/70/59/56/468705956.db2.gz LUJFAWXVGXMZJD-QLFBSQMISA-N 1 0 346.431 2.386 10 5 EEBERO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCOC1 ZINC000594950155 468728831 /nfs/dbraw/zinc/72/88/31/468728831.db2.gz JKPAQXJYHFYYMB-YGRLFVJLSA-N 1 0 346.330 2.337 10 5 EEBERO COc1ccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000594957154 468731140 /nfs/dbraw/zinc/73/11/40/468731140.db2.gz NIKWYYWQEYZZKB-AWEZNQCLSA-N 1 0 341.367 2.281 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000601189793 468775836 /nfs/dbraw/zinc/77/58/36/468775836.db2.gz VPBKAZSVLFYPSN-KRWDZBQOSA-N 1 0 330.388 2.036 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000593021335 468841976 /nfs/dbraw/zinc/84/19/76/468841976.db2.gz VVLFZMWKFJGWOG-UHFFFAOYSA-N 1 0 347.415 2.442 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)C2CCCCC2)c1 ZINC000593022962 468843551 /nfs/dbraw/zinc/84/35/51/468843551.db2.gz MFCNAXFDKDGOTN-HNNXBMFYSA-N 1 0 336.388 2.412 10 5 EEBERO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccccc21 ZINC000593092019 468867765 /nfs/dbraw/zinc/86/77/65/468867765.db2.gz RFJUHOLEEIXDBP-CQSZACIVSA-N 1 0 327.384 2.418 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000601433648 468871704 /nfs/dbraw/zinc/87/17/04/468871704.db2.gz GSJAYJNBEBWGOK-NSHDSACASA-N 1 0 347.462 2.068 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000598465596 468874790 /nfs/dbraw/zinc/87/47/90/468874790.db2.gz GMMBRIUWMSAIOD-UHFFFAOYSA-N 1 0 336.436 2.268 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593114614 468875857 /nfs/dbraw/zinc/87/58/57/468875857.db2.gz DQDKOAFXYNJUOX-OCCSQVGLSA-N 1 0 328.315 2.066 10 5 EEBERO C[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598540005 468906431 /nfs/dbraw/zinc/90/64/31/468906431.db2.gz LASRHBSFNFDARL-PBHICJAKSA-N 1 0 349.431 2.268 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608290 468920981 /nfs/dbraw/zinc/92/09/81/468920981.db2.gz NFCSYRGKTQZPMJ-CYBMUJFWSA-N 1 0 331.376 2.107 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595756451 468992085 /nfs/dbraw/zinc/99/20/85/468992085.db2.gz GDUDLGIWTMWRQO-SUMWQHHRSA-N 1 0 333.388 2.200 10 5 EEBERO C[NH2+]C[C@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000596034146 469124300 /nfs/dbraw/zinc/12/43/00/469124300.db2.gz XEOKIFBOVBHNBJ-ZETCQYMHSA-N 1 0 335.145 2.219 10 5 EEBERO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2C2(O)CC2)c2c(c1)COCO2 ZINC000573806675 469210130 /nfs/dbraw/zinc/21/01/30/469210130.db2.gz DETIXOQQDMCYQN-HNNXBMFYSA-N 1 0 334.372 2.341 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000611513273 469269575 /nfs/dbraw/zinc/26/95/75/469269575.db2.gz COZVHCSQCHHOQZ-ZDUSSCGKSA-N 1 0 340.811 2.184 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000611616529 469293374 /nfs/dbraw/zinc/29/33/74/469293374.db2.gz WGHFMADCBUFYLM-MRXNPFEDSA-N 1 0 347.463 2.211 10 5 EEBERO O=[N+]([O-])c1ccc(-c2cccc(OCC[NH+]3CCC(O)CC3)c2)cn1 ZINC000596638246 469318264 /nfs/dbraw/zinc/31/82/64/469318264.db2.gz TWZCHEOHUOUNBT-UHFFFAOYSA-N 1 0 343.383 2.492 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680548 469336077 /nfs/dbraw/zinc/33/60/77/469336077.db2.gz GDFWPJFGKYJKPR-XGWLTEMNSA-N 1 0 333.388 2.077 10 5 EEBERO COC(=O)c1cnc(Nc2cnn(-c3cc[nH+]cc3)c2)c([N+](=O)[O-])c1 ZINC000616176969 469390201 /nfs/dbraw/zinc/39/02/01/469390201.db2.gz TWJLYIQVSATXBV-UHFFFAOYSA-N 1 0 340.299 2.101 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(NC(C)(C)CC[NH+]2CCN(C)CC2)n1 ZINC000613704975 469770053 /nfs/dbraw/zinc/77/00/53/469770053.db2.gz APWAMWAYXOTAJU-UHFFFAOYSA-N 1 0 335.452 2.435 10 5 EEBERO C[C@H]1CC[C@](CO)([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187909883 533771040 /nfs/dbraw/zinc/77/10/40/533771040.db2.gz QOFGSXMMVXXDEG-SJCJKPOMSA-N 1 0 336.388 2.444 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cccnn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266575493 1176872994 /nfs/dbraw/zinc/87/29/94/1176872994.db2.gz QMCONFIJAVCZTE-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO Cc1n[nH]cc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001267330688 1178768157 /nfs/dbraw/zinc/76/81/57/1178768157.db2.gz JNWLSAAABCDDQT-UHFFFAOYSA-N 1 0 343.387 2.021 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccc(CF)cc2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481896479 1182906894 /nfs/dbraw/zinc/90/68/94/1182906894.db2.gz RMLPFOBWQWYJNG-HZPDHXFCSA-N 1 0 349.406 2.340 10 5 EEBERO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035946 1198032381 /nfs/dbraw/zinc/03/23/81/1198032381.db2.gz QWXUSJCFFDMEMQ-GFCCVEGCSA-N 1 0 325.384 2.495 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872146950 1198054584 /nfs/dbraw/zinc/05/45/84/1198054584.db2.gz BJWGVRXATLYCCZ-JQWIXIFHSA-N 1 0 333.310 2.172 10 5 EEBERO CC(C)(O)C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000872207150 1198087037 /nfs/dbraw/zinc/08/70/37/1198087037.db2.gz PBUZXBSAHIEWHW-GFCCVEGCSA-N 1 0 336.310 2.225 10 5 EEBERO CC(=O)NCC1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000865455577 1198227392 /nfs/dbraw/zinc/22/73/92/1198227392.db2.gz IOMRYJKQVWAUBU-UHFFFAOYSA-N 1 0 335.404 2.258 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870995258 1200997161 /nfs/dbraw/zinc/99/71/61/1200997161.db2.gz ICXMBKUMZWZYSD-QGZVFWFLSA-N 1 0 335.404 2.441 10 5 EEBERO C[N@@H+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CCC1(C)C ZINC000866115175 1201437399 /nfs/dbraw/zinc/43/73/99/1201437399.db2.gz WXHIGSYWPFNZMU-UHFFFAOYSA-N 1 0 331.376 2.164 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000866386651 1201505657 /nfs/dbraw/zinc/50/56/57/1201505657.db2.gz DFDSWMNAFVPPIT-YGRLFVJLSA-N 1 0 337.351 2.238 10 5 EEBERO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149050844 1202190985 /nfs/dbraw/zinc/19/09/85/1202190985.db2.gz DUHYXGQDKCVKLG-ZJUUUORDSA-N 1 0 343.815 2.164 10 5 EEBERO CCN(CCc1nccs1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000134114129 1202278445 /nfs/dbraw/zinc/27/84/45/1202278445.db2.gz OUFWHMFLGPYRDA-UHFFFAOYSA-N 1 0 348.384 2.481 10 5 EEBERO C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924527864 1205991549 /nfs/dbraw/zinc/99/15/49/1205991549.db2.gz CJUAWNWVHDXVQK-TZMCWYRMSA-N 1 0 346.387 2.062 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1C ZINC000928448917 1206385686 /nfs/dbraw/zinc/38/56/86/1206385686.db2.gz DRYRDJVPGDBPRB-CZUORRHYSA-N 1 0 346.431 2.408 10 5 EEBERO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850560986 1277267015 /nfs/dbraw/zinc/26/70/15/1277267015.db2.gz HEDAMXAUCUFERW-GXTWGEPZSA-N 1 0 347.419 2.118 10 5 EEBERO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000858474581 1294127101 /nfs/dbraw/zinc/12/71/01/1294127101.db2.gz BPOKSXSDGPABTR-BXUZGUMPSA-N 1 0 347.371 2.163 10 5 EEBERO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CS(C)(=O)=O ZINC000926954942 1296967744 /nfs/dbraw/zinc/96/77/44/1296967744.db2.gz ISPACDCQCGWVED-ZDUSSCGKSA-N 1 0 326.418 2.243 10 5 EEBERO Cn1nnc2c1C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000927142923 1297034860 /nfs/dbraw/zinc/03/48/60/1297034860.db2.gz AHVZHRTYCKXHHI-ZBFHGGJFSA-N 1 0 341.415 2.192 10 5 EEBERO O=[N+]([O-])c1c(N2CC[NH2+][C@@H](Cc3ccccc3)C2)nc2ccccn21 ZINC001163989508 1321264260 /nfs/dbraw/zinc/26/42/60/1321264260.db2.gz CMAQXWIMHGPAAA-HNNXBMFYSA-N 1 0 337.383 2.263 10 5 EEBERO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262155599 1322249698 /nfs/dbraw/zinc/24/96/98/1322249698.db2.gz PVIHJYFPFGDNGT-NVXWUHKLSA-N 1 0 329.400 2.496 10 5 EEBERO C[N@H+](CCCNC(=O)Cc1ccc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001265976433 1323536160 /nfs/dbraw/zinc/53/61/60/1323536160.db2.gz RLUFJKLFQIXOLX-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CCC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281588288 1325327663 /nfs/dbraw/zinc/32/76/63/1325327663.db2.gz XOLZANWTEPMTQC-IAGOWNOFSA-N 1 0 345.443 2.212 10 5 EEBERO Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1C[C@H](C)[NH+](C)C ZINC001304795017 1331398294 /nfs/dbraw/zinc/39/82/94/1331398294.db2.gz VCONGDQWWXKQJZ-LBPRGKRZSA-N 1 0 332.408 2.081 10 5 EEBERO CCCC(=O)NCCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001316952137 1332012239 /nfs/dbraw/zinc/01/22/39/1332012239.db2.gz MBFCLBJTPZLAFC-UHFFFAOYSA-N 1 0 348.447 2.019 10 5 EEBERO CCc1cccnc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001317603129 1332320928 /nfs/dbraw/zinc/32/09/28/1332320928.db2.gz GNIDAWAHOPTVOV-UHFFFAOYSA-N 1 0 342.399 2.414 10 5 EEBERO COCCC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001318612138 1332568349 /nfs/dbraw/zinc/56/83/49/1332568349.db2.gz AFLJRTCFICRRAC-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccn[nH]1 ZINC001318616901 1332568762 /nfs/dbraw/zinc/56/87/62/1332568762.db2.gz KTEVXJVVZMKOKC-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO CC(F)(F)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001326772947 1334157560 /nfs/dbraw/zinc/15/75/60/1334157560.db2.gz LMSYISGVYCATEE-UHFFFAOYSA-N 1 0 327.331 2.379 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)CC1 ZINC001332206291 1335766073 /nfs/dbraw/zinc/76/60/73/1335766073.db2.gz KJXIIWOLHQUUET-UHFFFAOYSA-N 1 0 332.404 2.125 10 5 EEBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001349880485 1337654740 /nfs/dbraw/zinc/65/47/40/1337654740.db2.gz STXJDYFQYNMRAC-NSHDSACASA-N 1 0 337.376 2.174 10 5 EEBERO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001611112253 1352294365 /nfs/dbraw/zinc/29/43/65/1352294365.db2.gz PEGHNTPBODSABN-OAHLLOKOSA-N 1 0 340.383 2.175 10 5 EEBERO Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001627288788 1352490123 /nfs/dbraw/zinc/49/01/23/1352490123.db2.gz CFALYRPJXLINON-NSHDSACASA-N 1 0 336.348 2.026 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001631423726 1352583060 /nfs/dbraw/zinc/58/30/60/1352583060.db2.gz DFGDMJXRIMVYJV-JSGCOSHPSA-N 1 0 335.404 2.340 10 5 EEBERO COCC[N@H+](C)CCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001639268740 1352696220 /nfs/dbraw/zinc/69/62/20/1352696220.db2.gz RGRNZWQLHPZQTH-UHFFFAOYSA-N 1 0 339.392 2.070 10 5 EEBERO Cc1nccnc1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654711180 1354155694 /nfs/dbraw/zinc/15/56/94/1354155694.db2.gz BDANOLCKZFXIJE-NSHDSACASA-N 1 0 329.360 2.373 10 5 EEBERO COc1cccc(C[C@H]2CN(c3ncc(C)cc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001655965545 1354192365 /nfs/dbraw/zinc/19/23/65/1354192365.db2.gz XERQICBCCKTEDN-HNNXBMFYSA-N 1 0 342.399 2.328 10 5 EEBERO Cc1noc(C)c1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001668696716 1355989593 /nfs/dbraw/zinc/98/95/93/1355989593.db2.gz SKYZXYPZQPUEJY-ONEGZZNKSA-N 1 0 344.371 2.275 10 5 EEBERO Cc1ccoc1CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001699661997 1405433148 /nfs/dbraw/zinc/43/31/48/1405433148.db2.gz BNUATJGYBQAVQK-UHFFFAOYSA-N 1 0 343.383 2.477 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000818000498 785118170 /nfs/dbraw/zinc/11/81/70/785118170.db2.gz AZKJQGBZYQIFJX-IAQYHMDHSA-N 1 0 348.359 2.107 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000819318830 785524727 /nfs/dbraw/zinc/52/47/27/785524727.db2.gz FHSAXDQGZRMMLS-GDBMZVCRSA-N 1 0 332.331 2.361 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913295309 788772447 /nfs/dbraw/zinc/77/24/47/788772447.db2.gz RYPXJXKKFLIYJZ-VTUQDJEPSA-N 1 0 329.400 2.408 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000844656871 789282213 /nfs/dbraw/zinc/28/22/13/789282213.db2.gz XUGYNDWFMMCUSS-UHFFFAOYSA-N 1 0 336.436 2.369 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000789521334 808040625 /nfs/dbraw/zinc/04/06/25/808040625.db2.gz TUGMHFRJVWFQBB-CQSZACIVSA-N 1 0 345.403 2.283 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001480136176 1099701490 /nfs/dbraw/zinc/70/14/90/1099701490.db2.gz DJRGYQAFNIGAST-YTDVACHYSA-N 1 0 346.412 2.435 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H]2C[N@H+](CC)CC2(C)C)cc1[N+](=O)[O-] ZINC001472055726 1110540582 /nfs/dbraw/zinc/54/05/82/1110540582.db2.gz CMEBTXKAWZNXHF-OAHLLOKOSA-N 1 0 335.404 2.454 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC001540431428 1124082961 /nfs/dbraw/zinc/08/29/61/1124082961.db2.gz DZOHNPBSRWDZES-ZIAGYGMSSA-N 1 0 334.420 2.243 10 5 EEBERO Nc1ncc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC001543760358 1124134491 /nfs/dbraw/zinc/13/44/91/1124134491.db2.gz KCWJPRWWQMSMSG-UHFFFAOYSA-N 1 0 341.371 2.420 10 5 EEBERO CCn1cccc1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568965987 1125000994 /nfs/dbraw/zinc/00/09/94/1125000994.db2.gz MOPAXTUOYYXXAK-AATRIKPKSA-N 1 0 342.399 2.492 10 5 EEBERO CC(C)[N@H+](C)CCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000054131680 214218421 /nfs/dbraw/zinc/21/84/21/214218421.db2.gz UOSRBJMYHGTXOO-UHFFFAOYSA-N 1 0 344.209 2.427 10 5 EEBERO C[C@@H]([NH3+])[C@@H](C)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000381793236 539938907 /nfs/dbraw/zinc/93/89/07/539938907.db2.gz SOSFTHFYJZLIHB-HTQZYQBOSA-N 1 0 339.193 2.475 10 5 EEBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000191373408 239075829 /nfs/dbraw/zinc/07/58/29/239075829.db2.gz KZPNGAZEZIGZIW-CYBMUJFWSA-N 1 0 336.392 2.006 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402141 239805857 /nfs/dbraw/zinc/80/58/57/239805857.db2.gz QHXVBBXRFNDSGR-WMLDXEAASA-N 1 0 346.431 2.306 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+](CC)CC)CC2)n1 ZINC000427440902 241427525 /nfs/dbraw/zinc/42/75/25/241427525.db2.gz GNOOVCFWSWYHBH-UHFFFAOYSA-N 1 0 337.424 2.005 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000266578655 248368495 /nfs/dbraw/zinc/36/84/95/248368495.db2.gz HDNGNXJWNIAEIB-CYBMUJFWSA-N 1 0 327.812 2.137 10 5 EEBERO CNc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1[N+](=O)[O-] ZINC000093669111 218242475 /nfs/dbraw/zinc/24/24/75/218242475.db2.gz WVYPOPGHXYATSV-UHFFFAOYSA-N 1 0 347.419 2.016 10 5 EEBERO O=[N+]([O-])c1ccc2sc([S@@](=O)C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000095092238 218279973 /nfs/dbraw/zinc/27/99/73/218279973.db2.gz VVAGFLIYSKSOCA-JLTPVHFHSA-N 1 0 325.415 2.312 10 5 EEBERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000116928806 221012820 /nfs/dbraw/zinc/01/28/20/221012820.db2.gz ACXHUYCKLOMWAI-NSHDSACASA-N 1 0 342.783 2.043 10 5 EEBERO CC[NH+](CC)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270726094 256165444 /nfs/dbraw/zinc/16/54/44/256165444.db2.gz BBXACLYXGUUYEE-AWEZNQCLSA-N 1 0 345.403 2.141 10 5 EEBERO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273378264 256291362 /nfs/dbraw/zinc/29/13/62/256291362.db2.gz BRKZFGOATNHTAC-ZBFHGGJFSA-N 1 0 349.431 2.266 10 5 EEBERO CC[C@H]([NH3+])CNc1ccc(I)cc1[N+](=O)[O-] ZINC000085102324 159169385 /nfs/dbraw/zinc/16/93/85/159169385.db2.gz NTEIFLOQQIQLII-QMMMGPOBSA-N 1 0 335.145 2.349 10 5 EEBERO CC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105828021 159307288 /nfs/dbraw/zinc/30/72/88/159307288.db2.gz BZSTXRMCXZVTBG-CHWSQXEVSA-N 1 0 325.384 2.011 10 5 EEBERO Cc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c(N)c([N+](=O)[O-])c1 ZINC000188657057 160126817 /nfs/dbraw/zinc/12/68/17/160126817.db2.gz ZGBALMCJNYZVPH-UHFFFAOYSA-N 1 0 326.356 2.019 10 5 EEBERO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246508895 160282113 /nfs/dbraw/zinc/28/21/13/160282113.db2.gz QJMBBUIDVIOATM-CRAIPNDOSA-N 1 0 349.431 2.016 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000342004360 161031388 /nfs/dbraw/zinc/03/13/88/161031388.db2.gz YEJBWJNPZKDRBY-DYVFJYSZSA-N 1 0 333.388 2.424 10 5 EEBERO CCOc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000345758591 161329774 /nfs/dbraw/zinc/32/97/74/161329774.db2.gz HYHLUBOOKANWQR-UHFFFAOYSA-N 1 0 333.388 2.350 10 5 EEBERO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cn1 ZINC000359089972 164055927 /nfs/dbraw/zinc/05/59/27/164055927.db2.gz COTLBOZJESUWGE-INIZCTEOSA-N 1 0 328.372 2.169 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451589546 273985086 /nfs/dbraw/zinc/98/50/86/273985086.db2.gz VSZDPDPOBONGJQ-XQQFMLRXSA-N 1 0 349.387 2.243 10 5 EEBERO COC(=O)c1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)cc(C)c1[N+](=O)[O-] ZINC000291616858 275323361 /nfs/dbraw/zinc/32/33/61/275323361.db2.gz ANAKUAJATYSJJL-QGZVFWFLSA-N 1 0 333.388 2.222 10 5 EEBERO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000357850566 281361136 /nfs/dbraw/zinc/36/11/36/281361136.db2.gz AKWAXQYHZDPSHY-MLGOLLRUSA-N 1 0 345.403 2.058 10 5 EEBERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000392969889 312441018 /nfs/dbraw/zinc/44/10/18/312441018.db2.gz UMBQCCBXJFEILU-KWQFWETISA-N 1 0 342.193 2.114 10 5 EEBERO C[C@@H](O)[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000414593730 313044957 /nfs/dbraw/zinc/04/49/57/313044957.db2.gz RGAUOJZLXXLYRK-SJKOYZFVSA-N 1 0 332.356 2.436 10 5 EEBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949876 313113869 /nfs/dbraw/zinc/11/38/69/313113869.db2.gz NWDXYBQUCONEQC-WPRPVWTQSA-N 1 0 344.318 2.316 10 5 EEBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418610105 313860138 /nfs/dbraw/zinc/86/01/38/313860138.db2.gz FNOJFWDHHZMWOW-LRDDRELGSA-N 1 0 332.404 2.267 10 5 EEBERO Cn1cc(C[N@@H+]2CC[C@@]23CCOC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421399725 314097156 /nfs/dbraw/zinc/09/71/56/314097156.db2.gz QVKYASKCPJQVJV-KRWDZBQOSA-N 1 0 328.372 2.360 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000538315005 318034705 /nfs/dbraw/zinc/03/47/05/318034705.db2.gz BWFBVZXDWALPOH-UHFFFAOYSA-N 1 0 344.209 2.381 10 5 EEBERO COc1cnccc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000187091681 323448848 /nfs/dbraw/zinc/44/88/48/323448848.db2.gz LNDDRFLLFNARHY-OCCSQVGLSA-N 1 0 347.371 2.089 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000590599276 468283668 /nfs/dbraw/zinc/28/36/68/468283668.db2.gz DWMGXJJVARZAOF-CQSZACIVSA-N 1 0 340.383 2.468 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159017658 463264980 /nfs/dbraw/zinc/26/49/80/463264980.db2.gz NGHDHXDNVCJFLO-OKILXGFUSA-N 1 0 344.415 2.162 10 5 EEBERO COc1ccc(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1[N+](=O)[O-] ZINC000081651754 463476920 /nfs/dbraw/zinc/47/69/20/463476920.db2.gz MDOGBMTURNYCAE-HUUCEWRRSA-N 1 0 347.415 2.436 10 5 EEBERO COc1cccc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185196126 463776369 /nfs/dbraw/zinc/77/63/69/463776369.db2.gz BQSUTZUZNFRLPH-CYBMUJFWSA-N 1 0 335.404 2.293 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261720555 463839157 /nfs/dbraw/zinc/83/91/57/463839157.db2.gz LDIHJVGONBVQOP-PBHICJAKSA-N 1 0 340.383 2.113 10 5 EEBERO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277324016 463909967 /nfs/dbraw/zinc/90/99/67/463909967.db2.gz DOBSQVCSERZCQK-BXKDBHETSA-N 1 0 327.768 2.201 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000283793576 464011760 /nfs/dbraw/zinc/01/17/60/464011760.db2.gz SKSHUNNVBSSXGT-GXTWGEPZSA-N 1 0 348.403 2.005 10 5 EEBERO CC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000234090981 464210462 /nfs/dbraw/zinc/21/04/62/464210462.db2.gz WMEPSFGXWLUJMM-WPRPVWTQSA-N 1 0 329.198 2.316 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000281293599 464404277 /nfs/dbraw/zinc/40/42/77/464404277.db2.gz QZOIFGRYTZGRRR-CQSZACIVSA-N 1 0 335.404 2.130 10 5 EEBERO Cc1ccc(OC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000181545354 464505257 /nfs/dbraw/zinc/50/52/57/464505257.db2.gz AMOFUAZWFCHBQU-UHFFFAOYSA-N 1 0 331.376 2.038 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000282040782 464677925 /nfs/dbraw/zinc/67/79/25/464677925.db2.gz LMLFBKDAZLOJPJ-AWEZNQCLSA-N 1 0 344.419 2.204 10 5 EEBERO C[C@H]1CC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[NH2+]1 ZINC000599932897 468416071 /nfs/dbraw/zinc/41/60/71/468416071.db2.gz DMMXLYBJFZUZFJ-JSGCOSHPSA-N 1 0 332.404 2.409 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000247523101 464690913 /nfs/dbraw/zinc/69/09/13/464690913.db2.gz WWPCEDJJKSXYSX-KGLIPLIRSA-N 1 0 332.404 2.092 10 5 EEBERO C[C@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182925589 464759156 /nfs/dbraw/zinc/75/91/56/464759156.db2.gz XOTDJYUVCSZCSL-LRDDRELGSA-N 1 0 329.356 2.245 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000268219165 464978886 /nfs/dbraw/zinc/97/88/86/464978886.db2.gz WKRINZLQCRJFRF-ZDUSSCGKSA-N 1 0 325.796 2.343 10 5 EEBERO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000348230875 465502896 /nfs/dbraw/zinc/50/28/96/465502896.db2.gz MRIOURXNIYGOIA-UHFFFAOYSA-N 1 0 341.415 2.248 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000362500563 465786131 /nfs/dbraw/zinc/78/61/31/465786131.db2.gz VEYBMKQJTJXUKK-OAHLLOKOSA-N 1 0 330.388 2.102 10 5 EEBERO O=C(N[C@H]1CCc2[nH]cnc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000357962525 466349905 /nfs/dbraw/zinc/34/99/05/466349905.db2.gz ZYXPHILAHNNGGA-VIFPVBQESA-N 1 0 325.328 2.087 10 5 EEBERO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000370537667 466915167 /nfs/dbraw/zinc/91/51/67/466915167.db2.gz BUNGFLWIAFZBAM-HNNXBMFYSA-N 1 0 340.383 2.384 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418583496 467131861 /nfs/dbraw/zinc/13/18/61/467131861.db2.gz WOZNMOLQLSMPPL-IUODEOHRSA-N 1 0 332.404 2.267 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(C)(C)C[NH+]1CCCC1 ZINC000452096582 467321018 /nfs/dbraw/zinc/32/10/18/467321018.db2.gz OMNBMGTZRYMRKP-UHFFFAOYSA-N 1 0 334.420 2.306 10 5 EEBERO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000531626747 468066399 /nfs/dbraw/zinc/06/63/99/468066399.db2.gz GASANQGNNLRQNE-ZDUSSCGKSA-N 1 0 340.383 2.166 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000589495922 468157319 /nfs/dbraw/zinc/15/73/19/468157319.db2.gz LQGJBMIJGYZGLQ-ZDUSSCGKSA-N 1 0 344.371 2.484 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000582486350 468547954 /nfs/dbraw/zinc/54/79/54/468547954.db2.gz KCIKJYWAPPFREC-QGZVFWFLSA-N 1 0 343.387 2.220 10 5 EEBERO CC(C)c1ccc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc1[N+](=O)[O-] ZINC000592525259 468721223 /nfs/dbraw/zinc/72/12/23/468721223.db2.gz NRHHFABORHIZQS-CQSZACIVSA-N 1 0 348.447 2.270 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601104100 468742456 /nfs/dbraw/zinc/74/24/56/468742456.db2.gz PHBKBTHAWZSZIC-MRVPVSSYSA-N 1 0 333.314 2.243 10 5 EEBERO C[C@H]1C[C@@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000571131693 468742976 /nfs/dbraw/zinc/74/29/76/468742976.db2.gz GVUIFAKTFBSNJQ-STQMWFEESA-N 1 0 344.415 2.465 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000601116296 468748177 /nfs/dbraw/zinc/74/81/77/468748177.db2.gz PYYZWUDWDPVCQN-SECBINFHSA-N 1 0 333.314 2.243 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753554 468750723 /nfs/dbraw/zinc/75/07/23/468750723.db2.gz RTFOEDUXKDWJOQ-KDOFPFPSSA-N 1 0 346.431 2.306 10 5 EEBERO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164492 468767245 /nfs/dbraw/zinc/76/72/45/468767245.db2.gz XEOKTLNYBOSROJ-VHSXEESVSA-N 1 0 347.341 2.410 10 5 EEBERO COc1ccc(OCC[N@H+](C)Cc2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000571626817 468813359 /nfs/dbraw/zinc/81/33/59/468813359.db2.gz KVGLCYVCYCOEKG-UHFFFAOYSA-N 1 0 334.376 2.156 10 5 EEBERO C[C@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000592898603 468818796 /nfs/dbraw/zinc/81/87/96/468818796.db2.gz JFDQQSJFTNWJQH-AWEZNQCLSA-N 1 0 347.415 2.022 10 5 EEBERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000601503141 468898243 /nfs/dbraw/zinc/89/82/43/468898243.db2.gz YGNNXKUVBHJUFP-UHFFFAOYSA-N 1 0 341.433 2.090 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598540577 468906689 /nfs/dbraw/zinc/90/66/89/468906689.db2.gz PYCHEVKKZBWJHT-KRWDZBQOSA-N 1 0 349.431 2.097 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)cn1 ZINC000572305211 468914679 /nfs/dbraw/zinc/91/46/79/468914679.db2.gz HBNOOUIIKDHVJN-INIZCTEOSA-N 1 0 334.420 2.053 10 5 EEBERO O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595781553 469005940 /nfs/dbraw/zinc/00/59/40/469005940.db2.gz MCWPJMKAZDGAEF-OLZOCXBDSA-N 1 0 339.779 2.080 10 5 EEBERO CCOc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000573131159 469069181 /nfs/dbraw/zinc/06/91/81/469069181.db2.gz RYDSJMGYGJTHCK-UHFFFAOYSA-N 1 0 333.388 2.337 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000595905663 469075464 /nfs/dbraw/zinc/07/54/64/469075464.db2.gz FOBVYUIFWMPQGJ-CYBMUJFWSA-N 1 0 343.374 2.416 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC4(C[NH2+]C4)C3)o2)cc1 ZINC000596108820 469159629 /nfs/dbraw/zinc/15/96/29/469159629.db2.gz ZDEUBZXDOQUYNS-UHFFFAOYSA-N 1 0 329.356 2.029 10 5 EEBERO O=[N+]([O-])c1ccc2nc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)ccc2c1 ZINC000596539346 469296781 /nfs/dbraw/zinc/29/67/81/469296781.db2.gz OXHNFLCOKTUTRI-INIZCTEOSA-N 1 0 342.399 2.178 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134594099 528264407 /nfs/dbraw/zinc/26/44/07/528264407.db2.gz RKAIQMSYYQKCBH-GFCCVEGCSA-N 1 0 332.404 2.465 10 5 EEBERO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000178678756 529204158 /nfs/dbraw/zinc/20/41/58/529204158.db2.gz DPQUIEBPGWGTEJ-QMTHXVAHSA-N 1 0 334.376 2.012 10 5 EEBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451257957 535963591 /nfs/dbraw/zinc/96/35/91/535963591.db2.gz QTZQQKKCKXPODM-DZGCQCFKSA-N 1 0 335.404 2.325 10 5 EEBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(Cl)cc(Cl)c1 ZINC001266272945 1176074917 /nfs/dbraw/zinc/07/49/17/1176074917.db2.gz GVIDNNLXEBMURM-CHWSQXEVSA-N 1 0 346.214 2.207 10 5 EEBERO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1F ZINC001482217643 1184255703 /nfs/dbraw/zinc/25/57/03/1184255703.db2.gz AEOSZBOTXDZRDP-GDBMZVCRSA-N 1 0 349.406 2.318 10 5 EEBERO CCN(CC[NH2+]Cc1cccc(C(F)F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482924321 1187844937 /nfs/dbraw/zinc/84/49/37/1187844937.db2.gz FMLLMWFIMWVFSE-ZIAGYGMSSA-N 1 0 341.358 2.228 10 5 EEBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)ns1 ZINC001483730745 1190834904 /nfs/dbraw/zinc/83/49/04/1190834904.db2.gz WNKHKLYDENIALD-UHFFFAOYSA-N 1 0 346.412 2.412 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000872082607 1198041662 /nfs/dbraw/zinc/04/16/62/1198041662.db2.gz YICJNWDAEMYEHM-SKDRFNHKSA-N 1 0 337.401 2.115 10 5 EEBERO CC1(C)C[NH2+]CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000872272964 1198123412 /nfs/dbraw/zinc/12/34/12/1198123412.db2.gz SSCPDQPCVKFRAR-NSHDSACASA-N 1 0 339.367 2.007 10 5 EEBERO CCOC(=O)c1ccnc(N[C@H]2CCCN(CCF)C2)c1[N+](=O)[O-] ZINC000865927348 1198427069 /nfs/dbraw/zinc/42/70/69/1198427069.db2.gz AMPDDPJSWNQONK-NSHDSACASA-N 1 0 340.355 2.012 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)C[C@@H]1CCCC[N@@H+]1C ZINC000870786209 1200877474 /nfs/dbraw/zinc/87/74/74/1200877474.db2.gz ACJLYZFMJGGMNE-OCCSQVGLSA-N 1 0 338.408 2.296 10 5 EEBERO Cc1ccc(NCCCNC(=O)CCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])c1 ZINC000870892711 1200936078 /nfs/dbraw/zinc/93/60/78/1200936078.db2.gz YAYSRBHZUCAJFG-UHFFFAOYSA-N 1 0 346.431 2.354 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000866353643 1201498618 /nfs/dbraw/zinc/49/86/18/1201498618.db2.gz IPWALFQXODNXDN-DJSGYFEHSA-N 1 0 342.411 2.413 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000866353646 1201498900 /nfs/dbraw/zinc/49/89/00/1201498900.db2.gz IPWALFQXODNXDN-WPGHFRTFSA-N 1 0 342.411 2.413 10 5 EEBERO CC(=O)c1c(N[C@@H](C)CN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882580823 1201902293 /nfs/dbraw/zinc/90/22/93/1201902293.db2.gz HPLZKZYDOCTMJR-ZDUSSCGKSA-N 1 0 336.436 2.481 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887611154 1204367141 /nfs/dbraw/zinc/36/71/41/1204367141.db2.gz TWIDOPAEOOQGBX-IAGOWNOFSA-N 1 0 343.427 2.265 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928433561 1206382821 /nfs/dbraw/zinc/38/28/21/1206382821.db2.gz MPNMUTNPGSRDML-LDYMZIIASA-N 1 0 331.294 2.436 10 5 EEBERO O=C(N[C@H]1C[C@@H]1C1CC[NH+](CC[N+](=O)[O-])CC1)OCc1ccccc1 ZINC000930552303 1206566720 /nfs/dbraw/zinc/56/67/20/1206566720.db2.gz RMOIWSQHOZBRFE-SJORKVTESA-N 1 0 347.415 2.290 10 5 EEBERO CC[NH+]1CCC(CCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119861066 1229617004 /nfs/dbraw/zinc/61/70/04/1229617004.db2.gz WRQCPZUSVGXMTM-UHFFFAOYSA-N 1 0 347.462 2.057 10 5 EEBERO Cc1c(NC(=O)CCN[C@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000903485725 1240623341 /nfs/dbraw/zinc/62/33/41/1240623341.db2.gz PIGPNDFLAXERQI-INIZCTEOSA-N 1 0 346.431 2.496 10 5 EEBERO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850498254 1277250290 /nfs/dbraw/zinc/25/02/90/1277250290.db2.gz YYDPSYNYUUIOTQ-ZCAPAMDOSA-N 1 0 339.339 2.139 10 5 EEBERO CCOC(=O)c1ccnc(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC001187034529 1279374291 /nfs/dbraw/zinc/37/42/91/1279374291.db2.gz LCDUNKXBGKTPBQ-CHWSQXEVSA-N 1 0 348.403 2.451 10 5 EEBERO Cc1nc(C)c(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001273927899 1289914279 /nfs/dbraw/zinc/91/42/79/1289914279.db2.gz JJFHBFJTVNKENF-ONEGZZNKSA-N 1 0 344.371 2.275 10 5 EEBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000852561455 1292134646 /nfs/dbraw/zinc/13/46/46/1292134646.db2.gz OEHVOCIOCZWMDF-RYQLBKOJSA-N 1 0 344.415 2.363 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCO1 ZINC000853990768 1292572854 /nfs/dbraw/zinc/57/28/54/1292572854.db2.gz UZSUORJCEPJLPY-GFCCVEGCSA-N 1 0 338.364 2.050 10 5 EEBERO C[C@@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000857768868 1293911563 /nfs/dbraw/zinc/91/15/63/1293911563.db2.gz WBXFWZAVQCIEAD-QMTHXVAHSA-N 1 0 343.330 2.010 10 5 EEBERO O=[N+]([O-])c1ccc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1F ZINC000859523319 1294468976 /nfs/dbraw/zinc/46/89/76/1294468976.db2.gz OHBJNCXOCGCYTL-CQSZACIVSA-N 1 0 338.379 2.487 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000859955310 1294724859 /nfs/dbraw/zinc/72/48/59/1294724859.db2.gz UGHSHEUIFWGOCI-YVSFHVDLSA-N 1 0 348.399 2.292 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)([NH+](C)C)CC1 ZINC000931353807 1297154749 /nfs/dbraw/zinc/15/47/49/1297154749.db2.gz PKORRKFUJIVALD-ZDUSSCGKSA-N 1 0 334.420 2.338 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841104545 1315476306 /nfs/dbraw/zinc/47/63/06/1315476306.db2.gz YFIBBGQGGCTBQV-SNVBAGLBSA-N 1 0 334.710 2.367 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c1 ZINC000842893500 1315793950 /nfs/dbraw/zinc/79/39/50/1315793950.db2.gz WWZNXEKRIFTZSZ-UHFFFAOYSA-N 1 0 347.824 2.059 10 5 EEBERO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1[N+](=O)[O-] ZINC001152053157 1316626473 /nfs/dbraw/zinc/62/64/73/1316626473.db2.gz NWLNDKDFIJWNJF-ZDUSSCGKSA-N 1 0 335.408 2.153 10 5 EEBERO O=C(NC[C@@]12CC[N@H+](C1)CCC2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001263857834 1322539785 /nfs/dbraw/zinc/53/97/85/1322539785.db2.gz LYENPUYBVFACLH-LZLYRXPVSA-N 1 0 329.400 2.300 10 5 EEBERO Cc1conc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001265056114 1322895104 /nfs/dbraw/zinc/89/51/04/1322895104.db2.gz VOHORZCAICOUQH-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC[N@H+](CCCNC(=O)c1ccncn1)Cc1ccccc1[N+](=O)[O-] ZINC001266095154 1323657332 /nfs/dbraw/zinc/65/73/32/1323657332.db2.gz NUEHRSPACVVUTJ-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO CC[N@H+](CCNC(=O)c1[nH]ccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317474217 1331567420 /nfs/dbraw/zinc/56/74/20/1331567420.db2.gz JWAUKOUXCLMJKV-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO Cc1cc(C(=O)NCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]n1 ZINC001317548688 1332293364 /nfs/dbraw/zinc/29/33/64/1332293364.db2.gz AZGKJFXGRGOZFL-UHFFFAOYSA-N 1 0 343.387 2.021 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001347726710 1337519707 /nfs/dbraw/zinc/51/97/07/1337519707.db2.gz CLDRLVYPHKSNDR-IACUBPJLSA-N 1 0 348.403 2.455 10 5 EEBERO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001556900450 1342437678 /nfs/dbraw/zinc/43/76/78/1342437678.db2.gz IQLJFIFBTLKOJZ-BRWVUGGUSA-N 1 0 333.432 2.269 10 5 EEBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001606972887 1351388374 /nfs/dbraw/zinc/38/83/74/1351388374.db2.gz XRIKVGMCQUSXNU-UKRRQHHQSA-N 1 0 334.420 2.268 10 5 EEBERO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001633801834 1352617482 /nfs/dbraw/zinc/61/74/82/1352617482.db2.gz ANQXQGHWOWXUFO-UHFFFAOYSA-N 1 0 338.327 2.440 10 5 EEBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001638146258 1352685193 /nfs/dbraw/zinc/68/51/93/1352685193.db2.gz SHEUHOCWIRXMCX-LBPRGKRZSA-N 1 0 339.367 2.102 10 5 EEBERO CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646587397 1352876205 /nfs/dbraw/zinc/87/62/05/1352876205.db2.gz TUXOYOXNEHBTQD-OAHLLOKOSA-N 1 0 335.404 2.372 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC001652316645 1354086990 /nfs/dbraw/zinc/08/69/90/1354086990.db2.gz BQHGQXBNGJDLID-WMLDXEAASA-N 1 0 328.372 2.298 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccnn1C ZINC001655381052 1354171662 /nfs/dbraw/zinc/17/16/62/1354171662.db2.gz IZHVSKYJWVQCQK-LLVKDONJSA-N 1 0 347.375 2.016 10 5 EEBERO COCC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001656209807 1354214847 /nfs/dbraw/zinc/21/48/47/1354214847.db2.gz BEJZZSXWQVGMHM-CTYIDZIISA-N 1 0 349.431 2.252 10 5 EEBERO COCCC(=O)NCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001666350831 1355515907 /nfs/dbraw/zinc/51/59/07/1355515907.db2.gz KGCHTRJYJKZLOV-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CCN1C[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)OC1=O ZINC000846810040 790636684 /nfs/dbraw/zinc/63/66/84/790636684.db2.gz UNQDSNPYKVJTHM-INIZCTEOSA-N 1 0 349.387 2.279 10 5 EEBERO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000909145225 786063041 /nfs/dbraw/zinc/06/30/41/786063041.db2.gz FRRPTTSGHPMLQV-VIKVFOODSA-N 1 0 337.807 2.199 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912925162 788500487 /nfs/dbraw/zinc/50/04/87/788500487.db2.gz CMCKLBXCBKWZTQ-AWEZNQCLSA-N 1 0 330.388 2.089 10 5 EEBERO C[C@H](C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000913278571 788738738 /nfs/dbraw/zinc/73/87/38/788738738.db2.gz IQAUIASYVHBETG-MORSLUCNSA-N 1 0 331.416 2.499 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[C@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923537838 789741348 /nfs/dbraw/zinc/74/13/48/789741348.db2.gz DFOSBGCRMVDIJH-KSSFIOAISA-N 1 0 346.431 2.448 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001171937897 796820055 /nfs/dbraw/zinc/82/00/55/796820055.db2.gz ZERSDDOJXUJPLU-YIYPIFLZSA-N 1 0 333.388 2.015 10 5 EEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000068223707 799604533 /nfs/dbraw/zinc/60/45/33/799604533.db2.gz KKOCBCJCWXHCNJ-NSHDSACASA-N 1 0 333.392 2.177 10 5 EEBERO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC([NH+]2CCC2)CC1 ZINC000828147026 800613806 /nfs/dbraw/zinc/61/38/06/800613806.db2.gz MXEZQAPMKXRUCZ-UHFFFAOYSA-N 1 0 328.372 2.386 10 5 EEBERO O=C1C[C@@H](CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1 ZINC000922780718 801867695 /nfs/dbraw/zinc/86/76/95/801867695.db2.gz DQMVXOJMIJWIQH-LLVKDONJSA-N 1 0 346.412 2.334 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccco1 ZINC001493462340 1108190026 /nfs/dbraw/zinc/19/00/26/1108190026.db2.gz BEVAPKXCERVDAY-CMDGGOBGSA-N 1 0 329.356 2.449 10 5 EEBERO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc([N+](=O)[O-])c1 ZINC001517922030 1119047195 /nfs/dbraw/zinc/04/71/95/1119047195.db2.gz IYFOMXKPJCTCPV-OAHLLOKOSA-N 1 0 348.403 2.278 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001520928024 1119202734 /nfs/dbraw/zinc/20/27/34/1119202734.db2.gz PAJUPCBPXYESDR-NUEKZKHPSA-N 1 0 345.399 2.014 10 5 EEBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001529414556 1121433051 /nfs/dbraw/zinc/43/30/51/1121433051.db2.gz HOMBTYVENGRRHG-LLVKDONJSA-N 1 0 337.376 2.174 10 5 EEBERO CC[NH+](CC)CC[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001529415668 1121434132 /nfs/dbraw/zinc/43/41/32/1121434132.db2.gz RBPOYIOYSHVPIN-LBPRGKRZSA-N 1 0 341.383 2.349 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc([N+](=O)[O-])c1 ZINC001538671594 1124034546 /nfs/dbraw/zinc/03/45/46/1124034546.db2.gz OYSNIHNQIKABTB-CQSZACIVSA-N 1 0 335.360 2.193 10 5 EEBERO Cc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000066635120 215060909 /nfs/dbraw/zinc/06/09/09/215060909.db2.gz OPNBPKDPKOQEFN-UHFFFAOYSA-N 1 0 332.404 2.186 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451884591 243291289 /nfs/dbraw/zinc/29/12/89/243291289.db2.gz FPWRKCPQMKHPOY-GXFFZTMASA-N 1 0 334.294 2.219 10 5 EEBERO C[NH+](C)CCCC(C)(C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000451892972 243298473 /nfs/dbraw/zinc/29/84/73/243298473.db2.gz QFPGLUNUSJNEOK-UHFFFAOYSA-N 1 0 343.449 2.135 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000451913168 243311373 /nfs/dbraw/zinc/31/13/73/243311373.db2.gz SGGJWLCTHAOYSM-GXFFZTMASA-N 1 0 334.294 2.219 10 5 EEBERO C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000079515326 217237107 /nfs/dbraw/zinc/23/71/07/217237107.db2.gz CXHFDNWQHHYLKB-LBPRGKRZSA-N 1 0 328.166 2.438 10 5 EEBERO CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000117399304 221061414 /nfs/dbraw/zinc/06/14/14/221061414.db2.gz RZRJQMXOKICOFO-AWEZNQCLSA-N 1 0 336.392 2.169 10 5 EEBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-n2ccnc2)c1 ZINC000189901496 533406741 /nfs/dbraw/zinc/40/67/41/533406741.db2.gz UJMITLKOJRUMDM-CYBMUJFWSA-N 1 0 326.360 2.328 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CN2CCOCC2)c1 ZINC000173101813 152143887 /nfs/dbraw/zinc/14/38/87/152143887.db2.gz CUNXVYDWJRHZNM-HNNXBMFYSA-N 1 0 347.415 2.230 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000340867648 160959849 /nfs/dbraw/zinc/95/98/49/160959849.db2.gz LMBLTCQLHLJWCW-SNVBAGLBSA-N 1 0 339.421 2.104 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000342004364 161031177 /nfs/dbraw/zinc/03/11/77/161031177.db2.gz YEJBWJNPZKDRBY-GUYCJALGSA-N 1 0 333.388 2.424 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000344762763 161244044 /nfs/dbraw/zinc/24/40/44/161244044.db2.gz AOXKXDCBDSHMBL-INIZCTEOSA-N 1 0 347.415 2.225 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000352067940 162053729 /nfs/dbraw/zinc/05/37/29/162053729.db2.gz MHBKJWQFMCRSDC-UHFFFAOYSA-N 1 0 341.433 2.019 10 5 EEBERO CCOc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000367994959 166033244 /nfs/dbraw/zinc/03/32/44/166033244.db2.gz WUUKYRJWDKKIBC-QGZVFWFLSA-N 1 0 333.388 2.209 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000122988981 222194236 /nfs/dbraw/zinc/19/42/36/222194236.db2.gz IJUUOQGZRSUNMZ-WCQYABFASA-N 1 0 334.376 2.304 10 5 EEBERO CC(C)c1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000189823129 276049257 /nfs/dbraw/zinc/04/92/57/276049257.db2.gz VQYUBSSYCOXCAG-CQSZACIVSA-N 1 0 335.404 2.121 10 5 EEBERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000116789757 276798485 /nfs/dbraw/zinc/79/84/85/276798485.db2.gz GOAYQAIRDBPTFS-CQSZACIVSA-N 1 0 349.431 2.295 10 5 EEBERO C[N@@H+]1CCO[C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000127199540 277131157 /nfs/dbraw/zinc/13/11/57/277131157.db2.gz HHXBQTVLTJZNPO-RYUDHWBXSA-N 1 0 332.187 2.421 10 5 EEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283500055 292949529 /nfs/dbraw/zinc/94/95/29/292949529.db2.gz OVMODBBKAQVVDR-JTQLQIEISA-N 1 0 326.372 2.022 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294897062 293574470 /nfs/dbraw/zinc/57/44/70/293574470.db2.gz GTCPFPBRWUFRBL-SNVBAGLBSA-N 1 0 327.356 2.203 10 5 EEBERO CC1CCC([NH+]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)CC1 ZINC000301965583 294915309 /nfs/dbraw/zinc/91/53/09/294915309.db2.gz KDKRCFQZHDGFSY-UHFFFAOYSA-N 1 0 344.419 2.338 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359393764 312402066 /nfs/dbraw/zinc/40/20/66/312402066.db2.gz SODKRTDFSWPFHY-NSHDSACASA-N 1 0 343.330 2.362 10 5 EEBERO Cc1c(NC(=O)NC[C@@H](C)C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415660731 313163864 /nfs/dbraw/zinc/16/38/64/313163864.db2.gz PWVRGLJQYUVFJH-ZETCQYMHSA-N 1 0 345.197 2.382 10 5 EEBERO COc1cccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1[N+](=O)[O-] ZINC000566289382 319269564 /nfs/dbraw/zinc/26/95/64/319269564.db2.gz SUPPWLFVQSGNAU-HNNXBMFYSA-N 1 0 341.367 2.302 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000577749959 320273833 /nfs/dbraw/zinc/27/38/33/320273833.db2.gz HNMWYOLLJWFAMN-YOEHRIQHSA-N 1 0 347.415 2.262 10 5 EEBERO CNc1nccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230282 449255979 /nfs/dbraw/zinc/25/59/79/449255979.db2.gz QAYWDCUPIHCPDV-CYBMUJFWSA-N 1 0 347.419 2.168 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000113225108 462578373 /nfs/dbraw/zinc/57/83/73/462578373.db2.gz OQWVQYCQHWSUER-RHSMWYFYSA-N 1 0 346.431 2.482 10 5 EEBERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000155351893 462878312 /nfs/dbraw/zinc/87/83/12/462878312.db2.gz AGIHHTJUGMARTP-PHIMTYICSA-N 1 0 325.796 2.342 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073826 462951875 /nfs/dbraw/zinc/95/18/75/462951875.db2.gz IHWGUVOIONHZOA-UHFFFAOYSA-N 1 0 347.415 2.308 10 5 EEBERO C[C@H](CO)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000120595581 463016429 /nfs/dbraw/zinc/01/64/29/463016429.db2.gz FVBDVPAHGJHAHH-NSHDSACASA-N 1 0 347.337 2.364 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120857966 463047174 /nfs/dbraw/zinc/04/71/74/463047174.db2.gz SZMOSAAJJJBKID-INIZCTEOSA-N 1 0 334.420 2.263 10 5 EEBERO CC(C)[N@H+](C)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579398991 468353702 /nfs/dbraw/zinc/35/37/02/468353702.db2.gz LTPPJLPFKIIOGY-UHFFFAOYSA-N 1 0 347.419 2.258 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000071911474 463469595 /nfs/dbraw/zinc/46/95/95/463469595.db2.gz HTHNURCBFUUBLG-AWEZNQCLSA-N 1 0 347.415 2.168 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000041912981 463520081 /nfs/dbraw/zinc/52/00/81/463520081.db2.gz RQYYCOXHAHKWJO-LLVKDONJSA-N 1 0 339.392 2.072 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000107887742 463585907 /nfs/dbraw/zinc/58/59/07/463585907.db2.gz NFCVIAOZCBYAER-CQSZACIVSA-N 1 0 346.431 2.267 10 5 EEBERO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000185095728 463750765 /nfs/dbraw/zinc/75/07/65/463750765.db2.gz DRSBRCAGTNJAHH-LBPRGKRZSA-N 1 0 347.371 2.440 10 5 EEBERO COC(=O)c1cc(N(C)CC2CC[NH+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268490562 463764649 /nfs/dbraw/zinc/76/46/49/463764649.db2.gz OIWSIKKLFNLSEI-UHFFFAOYSA-N 1 0 335.404 2.468 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000269499586 464002259 /nfs/dbraw/zinc/00/22/59/464002259.db2.gz MVCSIJQADLUKFP-NWDGAFQWSA-N 1 0 337.424 2.244 10 5 EEBERO C[N@@H+]1CC[C@@]2(CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000292272430 464180604 /nfs/dbraw/zinc/18/06/04/464180604.db2.gz ZRGBMVSISRQUKL-QGZVFWFLSA-N 1 0 343.387 2.172 10 5 EEBERO Cc1cc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000175181463 464500632 /nfs/dbraw/zinc/50/06/32/464500632.db2.gz OSXLBXWXFYHKMW-UHFFFAOYSA-N 1 0 346.431 2.433 10 5 EEBERO Cc1cc(OCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000281654640 464537024 /nfs/dbraw/zinc/53/70/24/464537024.db2.gz NCIATWIIBNMKNH-KGLIPLIRSA-N 1 0 335.404 2.223 10 5 EEBERO Cn1ccnc1[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000272518824 464642705 /nfs/dbraw/zinc/64/27/05/464642705.db2.gz KSLCREBYPZMVFP-HOTGVXAUSA-N 1 0 329.404 2.102 10 5 EEBERO C[C@@H]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[NH2+]1 ZINC000599934628 468417199 /nfs/dbraw/zinc/41/71/99/468417199.db2.gz RVWPECOUOQMCPT-OCCSQVGLSA-N 1 0 332.404 2.409 10 5 EEBERO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183200605 464821038 /nfs/dbraw/zinc/82/10/38/464821038.db2.gz FHDNHSHAYGCBCT-XHDPSFHLSA-N 1 0 337.376 2.089 10 5 EEBERO Cn1cc([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cn1 ZINC000177081634 464924868 /nfs/dbraw/zinc/92/48/68/464924868.db2.gz RWNGIZNHGMGQCH-LLVKDONJSA-N 1 0 327.344 2.459 10 5 EEBERO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000184007538 464936260 /nfs/dbraw/zinc/93/62/60/464936260.db2.gz RFGXCOOTXXUKOU-OAHLLOKOSA-N 1 0 329.404 2.392 10 5 EEBERO Cc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360067131 465529285 /nfs/dbraw/zinc/52/92/85/465529285.db2.gz UYYVJHSQSNZJOD-NSHDSACASA-N 1 0 347.337 2.425 10 5 EEBERO CNC(=O)c1ccc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000366507116 465770823 /nfs/dbraw/zinc/77/08/23/465770823.db2.gz PINATELZSUAHLE-UHFFFAOYSA-N 1 0 332.404 2.383 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000301101575 465901010 /nfs/dbraw/zinc/90/10/10/465901010.db2.gz OFEYOZRKSFJLJC-UHFFFAOYSA-N 1 0 347.419 2.155 10 5 EEBERO C[NH+](C)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301837762 466042829 /nfs/dbraw/zinc/04/28/29/466042829.db2.gz MXXOXVADWQRVCH-UHFFFAOYSA-N 1 0 329.198 2.283 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361769849 466272245 /nfs/dbraw/zinc/27/22/45/466272245.db2.gz KQPGSOOWRIQIHP-ZDUSSCGKSA-N 1 0 333.388 2.302 10 5 EEBERO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000367570562 466420507 /nfs/dbraw/zinc/42/05/07/466420507.db2.gz QNSJAUIQUYIMRZ-UONOGXRCSA-N 1 0 349.435 2.055 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000341056371 466547190 /nfs/dbraw/zinc/54/71/90/466547190.db2.gz JDDKMVNQJVICPI-KBPBESRZSA-N 1 0 335.404 2.353 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000373298753 466758118 /nfs/dbraw/zinc/75/81/18/466758118.db2.gz KBODQYFZOWALPS-UHFFFAOYSA-N 1 0 344.371 2.307 10 5 EEBERO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373804566 466924585 /nfs/dbraw/zinc/92/45/85/466924585.db2.gz JNFBNKGCDKVCCH-NVXWUHKLSA-N 1 0 336.388 2.244 10 5 EEBERO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418086983 467041429 /nfs/dbraw/zinc/04/14/29/467041429.db2.gz FKWJMKWRGXIZLK-HTQZYQBOSA-N 1 0 334.298 2.149 10 5 EEBERO COC[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000452075017 467314614 /nfs/dbraw/zinc/31/46/14/467314614.db2.gz BOUMTDPCYADUNL-ZBFHGGJFSA-N 1 0 338.404 2.083 10 5 EEBERO CCOC(=O)[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC12COC2 ZINC000449359185 467632954 /nfs/dbraw/zinc/63/29/54/467632954.db2.gz GKSUXWSXOZBPSS-ZQMJAJRESA-N 1 0 346.383 2.120 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000589503238 468158599 /nfs/dbraw/zinc/15/85/99/468158599.db2.gz LDARWBYHDIAMNB-ZIAGYGMSSA-N 1 0 334.372 2.240 10 5 EEBERO [NH3+]CC12CCC(CC1)CN2C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000519656312 468190879 /nfs/dbraw/zinc/19/08/79/468190879.db2.gz XHXIHMAOUKDZCC-UHFFFAOYSA-N 1 0 335.429 2.417 10 5 EEBERO COc1ccc(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591893334 468552279 /nfs/dbraw/zinc/55/22/79/468552279.db2.gz VQDIFARSENAOGK-HUUCEWRRSA-N 1 0 347.415 2.137 10 5 EEBERO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000594712224 468660392 /nfs/dbraw/zinc/66/03/92/468660392.db2.gz UETRPMFELNDFIZ-LBPRGKRZSA-N 1 0 326.418 2.460 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592427220 468696007 /nfs/dbraw/zinc/69/60/07/468696007.db2.gz USHGYEUUVSBUAF-AWEZNQCLSA-N 1 0 334.376 2.400 10 5 EEBERO Cc1c(Br)c(N2C[C@@H](C[NH3+])[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000600960662 468697565 /nfs/dbraw/zinc/69/75/65/468697565.db2.gz CKBYGJWJWMDVEH-VXNVDRBHSA-N 1 0 329.198 2.092 10 5 EEBERO CN(C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478421 468706253 /nfs/dbraw/zinc/70/62/53/468706253.db2.gz BBSVTPQSSLIUBU-PBHICJAKSA-N 1 0 346.431 2.022 10 5 EEBERO CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](C)C1 ZINC000597946350 468721119 /nfs/dbraw/zinc/72/11/19/468721119.db2.gz OWQAJGYIWIIDFP-LBPRGKRZSA-N 1 0 344.371 2.015 10 5 EEBERO COC[C@H](CC1CCOCC1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000595019280 468743491 /nfs/dbraw/zinc/74/34/91/468743491.db2.gz LQIQTEGIIFEBSK-HNNXBMFYSA-N 1 0 338.404 2.395 10 5 EEBERO C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C[NH+]1CCCC1 ZINC000601106558 468743922 /nfs/dbraw/zinc/74/39/22/468743922.db2.gz ZSICYWGJYAKASN-SECBINFHSA-N 1 0 335.330 2.491 10 5 EEBERO CS[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000601145615 468760328 /nfs/dbraw/zinc/76/03/28/468760328.db2.gz PGEDHVJAWVQKHD-STQMWFEESA-N 1 0 326.397 2.145 10 5 EEBERO C[NH+](C)C[C@]1(O)CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000601188605 468776197 /nfs/dbraw/zinc/77/61/97/468776197.db2.gz KMZLCKAMJGFRPG-QGZVFWFLSA-N 1 0 330.388 2.036 10 5 EEBERO Cn1ccnc1[C@@H](NCC[C@@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298434 468816507 /nfs/dbraw/zinc/81/65/07/468816507.db2.gz HVEXKUFEVGKNTJ-OLZOCXBDSA-N 1 0 340.330 2.023 10 5 EEBERO COc1ccc(OCCN2CCC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000601335341 468830530 /nfs/dbraw/zinc/83/05/30/468830530.db2.gz SMYDLAKXNXHQQA-DZGCQCFKSA-N 1 0 335.404 2.056 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1 ZINC000593024695 468843015 /nfs/dbraw/zinc/84/30/15/468843015.db2.gz KLCKQZHHUDNDGE-OZVIIMIRSA-N 1 0 336.388 2.363 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595865702 469051938 /nfs/dbraw/zinc/05/19/38/469051938.db2.gz JDMQKAVYFTVVAT-OAHLLOKOSA-N 1 0 339.823 2.279 10 5 EEBERO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000601878469 469073731 /nfs/dbraw/zinc/07/37/31/469073731.db2.gz AAKFMISVMHNLNY-OAHLLOKOSA-N 1 0 340.383 2.303 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@]3(O)CCOC3)o2)cc1 ZINC000593670560 469087224 /nfs/dbraw/zinc/08/72/24/469087224.db2.gz IBNUFCSVRFKCAJ-QGZVFWFLSA-N 1 0 332.356 2.486 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000593728658 469111692 /nfs/dbraw/zinc/11/16/92/469111692.db2.gz BIIAQXCNUAOSIV-XOKHGSTOSA-N 1 0 335.404 2.161 10 5 EEBERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000593729976 469112525 /nfs/dbraw/zinc/11/25/25/469112525.db2.gz LUPPBAPXVFMUKX-UHFFFAOYSA-N 1 0 349.412 2.101 10 5 EEBERO CC1(C)C[NH2+]CC[C@H](NCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000601969863 469118715 /nfs/dbraw/zinc/11/87/15/469118715.db2.gz FUZHJMTWYXLLOQ-ZDUSSCGKSA-N 1 0 335.404 2.234 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)C2 ZINC000601971009 469119297 /nfs/dbraw/zinc/11/92/97/469119297.db2.gz SVICQBQSQWIBTI-HDICACEKSA-N 1 0 340.383 2.215 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000611336145 469230170 /nfs/dbraw/zinc/23/01/70/469230170.db2.gz SRXPQNKKNKZMAT-DYVFJYSZSA-N 1 0 347.415 2.334 10 5 EEBERO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599433059 469253728 /nfs/dbraw/zinc/25/37/28/469253728.db2.gz AFYZSCQGIZSZIA-HOCLYGCPSA-N 1 0 336.388 2.088 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639461 469319277 /nfs/dbraw/zinc/31/92/77/469319277.db2.gz DPSYZNFTNVXHRT-GDZNZVCISA-N 1 0 333.388 2.016 10 5 EEBERO COc1c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cccc1[N+](=O)[O-] ZINC000619434109 469605123 /nfs/dbraw/zinc/60/51/23/469605123.db2.gz QMEJLCAZQXQMDW-UHFFFAOYSA-N 1 0 339.311 2.436 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609731888 469957982 /nfs/dbraw/zinc/95/79/82/469957982.db2.gz MPOQHLOQKFZOFR-GFCCVEGCSA-N 1 0 341.795 2.228 10 5 EEBERO O=C(c1cc2ccccc2c2cccnc12)N1CCOC2(C[NH2+]C2)C1 ZINC000663489788 471399060 /nfs/dbraw/zinc/39/90/60/471399060.db2.gz XSPJOKJBWVMIFD-UHFFFAOYSA-N 1 0 333.391 2.202 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452796737 485480022 /nfs/dbraw/zinc/48/00/22/485480022.db2.gz LDWPLVZBXMCHFP-OAHLLOKOSA-N 1 0 349.431 2.097 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000747208984 577940879 /nfs/dbraw/zinc/94/08/79/577940879.db2.gz BUNWIBRFMFLOEX-LLVKDONJSA-N 1 0 327.356 2.001 10 5 EEBERO C[NH2+]C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000237147508 683207995 /nfs/dbraw/zinc/20/79/95/683207995.db2.gz HGPHZFGGXOISOU-UHFFFAOYSA-N 1 0 332.404 2.019 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000895190894 684263757 /nfs/dbraw/zinc/26/37/57/684263757.db2.gz DMJAQPAXHGDPRA-DTWKUNHWSA-N 1 0 333.314 2.020 10 5 EEBERO CC/C(C)=C\C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001266900803 1177756647 /nfs/dbraw/zinc/75/66/47/1177756647.db2.gz HUEAYEBJJVSHIT-FLOXNBJHSA-N 1 0 329.400 2.498 10 5 EEBERO Cc1cc(CCC(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001691471548 1178905088 /nfs/dbraw/zinc/90/50/88/1178905088.db2.gz XFTDGFSZDDXVGA-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO COCC1(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001267403423 1178962796 /nfs/dbraw/zinc/96/27/96/1178962796.db2.gz DEZDWCAJOYPZLG-UHFFFAOYSA-N 1 0 341.433 2.021 10 5 EEBERO CCc1ocnc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268523007 1183173124 /nfs/dbraw/zinc/17/31/24/1183173124.db2.gz LKRZSRORIFXZOT-ONEGZZNKSA-N 1 0 344.371 2.221 10 5 EEBERO Cc1[nH]nc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001268784868 1183702383 /nfs/dbraw/zinc/70/23/83/1183702383.db2.gz INVBZLBSNVCOAQ-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1cnco1 ZINC001269566778 1184395149 /nfs/dbraw/zinc/39/51/49/1184395149.db2.gz FURMRLCRBQAGLC-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])C1=COCCC1 ZINC001482988579 1187957733 /nfs/dbraw/zinc/95/77/33/1187957733.db2.gz PDXQVGNVUJJBML-ONEGZZNKSA-N 1 0 331.372 2.051 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccon1 ZINC001484735285 1191499140 /nfs/dbraw/zinc/49/91/40/1191499140.db2.gz VYEDFEIMNQAFSA-UHFFFAOYSA-N 1 0 332.360 2.177 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485250570 1191703867 /nfs/dbraw/zinc/70/38/67/1191703867.db2.gz JRHBOWHKWSKAGW-HUUCEWRRSA-N 1 0 337.395 2.065 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnco1 ZINC001485257941 1191713690 /nfs/dbraw/zinc/71/36/90/1191713690.db2.gz WTYNMNMNOMILMG-UHFFFAOYSA-N 1 0 346.387 2.471 10 5 EEBERO C[C@H](NCC1([NH+](C)C)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872035947 1198031739 /nfs/dbraw/zinc/03/17/39/1198031739.db2.gz QWXUSJCFFDMEMQ-LBPRGKRZSA-N 1 0 325.384 2.495 10 5 EEBERO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076142 1198041931 /nfs/dbraw/zinc/04/19/31/1198041931.db2.gz YDNMOXLWTPEZFL-QWHCGFSZSA-N 1 0 325.384 2.231 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000872082604 1198042090 /nfs/dbraw/zinc/04/20/90/1198042090.db2.gz YICJNWDAEMYEHM-BXKDBHETSA-N 1 0 337.401 2.115 10 5 EEBERO CC[N@@H+]1CC[C@H]2OCCN(c3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000814905388 1199791404 /nfs/dbraw/zinc/79/14/04/1199791404.db2.gz FRKXLDVYVXATSA-UONOGXRCSA-N 1 0 327.331 2.172 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000870572949 1200749715 /nfs/dbraw/zinc/74/97/15/1200749715.db2.gz GBQWQVGSFRHVEC-UHFFFAOYSA-N 1 0 338.383 2.263 10 5 EEBERO O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000866724117 1201590275 /nfs/dbraw/zinc/59/02/75/1201590275.db2.gz IKVHKMZWLWGTML-KBPBESRZSA-N 1 0 338.795 2.013 10 5 EEBERO CC[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000881863944 1201778231 /nfs/dbraw/zinc/77/82/31/1201778231.db2.gz JIKOCSLWMWNHQC-NSHDSACASA-N 1 0 344.209 2.314 10 5 EEBERO CCCOCC(=O)N1CCC(C)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001274319996 1204997125 /nfs/dbraw/zinc/99/71/25/1204997125.db2.gz GLTIEKQFRNFXNR-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO O=[N+]([O-])CC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000930555422 1206567035 /nfs/dbraw/zinc/56/70/35/1206567035.db2.gz UQWBYUDKBAJPMH-YJBOKZPZSA-N 1 0 346.358 2.443 10 5 EEBERO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000930680242 1206575254 /nfs/dbraw/zinc/57/52/54/1206575254.db2.gz CQYMTYQBQISWPC-CLLJXQQHSA-N 1 0 338.358 2.403 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931309619 1206623514 /nfs/dbraw/zinc/62/35/14/1206623514.db2.gz DXTCLVQMRUZGSK-FSPWUOQZSA-N 1 0 346.431 2.195 10 5 EEBERO COc1ccc(OCC[NH2+][C@]23C[C@H]2COC32CCC2)c([N+](=O)[O-])c1 ZINC000933391353 1207764823 /nfs/dbraw/zinc/76/48/23/1207764823.db2.gz DRSRJHCMZVFPEA-YVEFUNNKSA-N 1 0 334.372 2.283 10 5 EEBERO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000133372760 1248950190 /nfs/dbraw/zinc/95/01/90/1248950190.db2.gz XKBHTZQACACFTO-ZIAGYGMSSA-N 1 0 344.371 2.491 10 5 EEBERO COCc1cc([N+](=O)[O-])ccc1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000826773379 1248058915 /nfs/dbraw/zinc/05/89/15/1248058915.db2.gz WCLKQYRYCGSPHO-UHFFFAOYSA-N 1 0 335.404 2.042 10 5 EEBERO CC(C)c1n[nH]c(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC001648914184 1276624170 /nfs/dbraw/zinc/62/41/70/1276624170.db2.gz GSXMGNLKPMNPQH-UHFFFAOYSA-N 1 0 337.424 2.434 10 5 EEBERO O=[N+]([O-])c1cn(CN2CCC[C@]3(CCOC3)C2)nc1-c1ccccn1 ZINC000853517094 1292406283 /nfs/dbraw/zinc/40/62/83/1292406283.db2.gz QOWJUWXLNQBGNT-KRWDZBQOSA-N 1 0 343.387 2.313 10 5 EEBERO C[C@@H](CCCC[NH3+])NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767438 1293911354 /nfs/dbraw/zinc/91/13/54/1293911354.db2.gz CVYMTKWQSULPKO-JTQLQIEISA-N 1 0 331.319 2.200 10 5 EEBERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863581901 1296344780 /nfs/dbraw/zinc/34/47/80/1296344780.db2.gz YBVDABXJJLFCBK-IAGOWNOFSA-N 1 0 341.367 2.045 10 5 EEBERO C[NH+]1C[C@]2(C)CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931314874 1297130609 /nfs/dbraw/zinc/13/06/09/1297130609.db2.gz RFXSOESSVNQWIV-HZPDHXFCSA-N 1 0 334.376 2.277 10 5 EEBERO COc1c(C)[nH]cc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1=O ZINC000931323666 1297139298 /nfs/dbraw/zinc/13/92/98/1297139298.db2.gz OGEIMGTUJAMOFY-UHFFFAOYSA-N 1 0 347.371 2.111 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC001123943155 1310769823 /nfs/dbraw/zinc/76/98/23/1310769823.db2.gz LXQWWQCBYKVTHZ-LBPRGKRZSA-N 1 0 349.435 2.359 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000839604656 1315219092 /nfs/dbraw/zinc/21/90/92/1315219092.db2.gz FPJKESVTLKQYOA-ZWNOBZJWSA-N 1 0 340.221 2.493 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001263995679 1322580298 /nfs/dbraw/zinc/58/02/98/1322580298.db2.gz JMXYKGNLEJFVGT-IAOVAPTHSA-N 1 0 346.431 2.243 10 5 EEBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC001492249252 1331112982 /nfs/dbraw/zinc/11/29/82/1331112982.db2.gz CCVMCLOCAYZUIY-IAGOWNOFSA-N 1 0 327.384 2.053 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1ccoc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317474582 1331580986 /nfs/dbraw/zinc/58/09/86/1331580986.db2.gz MCCGIWFSYFMINY-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO CCn1nccc1C(=O)NCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001316820132 1331912436 /nfs/dbraw/zinc/91/24/36/1331912436.db2.gz SGVXINGGUDVMFO-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO Cn1ccc(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC001317550513 1332293892 /nfs/dbraw/zinc/29/38/92/1332293892.db2.gz HFWLYARVAFLVCY-UHFFFAOYSA-N 1 0 342.399 2.328 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC001324817484 1333766613 /nfs/dbraw/zinc/76/66/13/1333766613.db2.gz UIGZKJQQTGLZJL-SMDDNHRTSA-N 1 0 340.221 2.493 10 5 EEBERO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC001327212157 1334246661 /nfs/dbraw/zinc/24/66/61/1334246661.db2.gz CDERIACFFYSNEU-IAGOWNOFSA-N 1 0 333.432 2.249 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000848377054 1338694213 /nfs/dbraw/zinc/69/42/13/1338694213.db2.gz VXJWTYPWGAACGK-GFCCVEGCSA-N 1 0 343.811 2.071 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001616346161 1352328270 /nfs/dbraw/zinc/32/82/70/1352328270.db2.gz JGRIPXXNPUJHSB-QGZVFWFLSA-N 1 0 347.415 2.305 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC001570190394 1343030628 /nfs/dbraw/zinc/03/06/28/1343030628.db2.gz JTBOJLOYCBASLQ-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001626726170 1352471517 /nfs/dbraw/zinc/47/15/17/1352471517.db2.gz QMPHFRLDTQPKJD-IAGOWNOFSA-N 1 0 349.431 2.177 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001627251082 1352488714 /nfs/dbraw/zinc/48/87/14/1352488714.db2.gz IRVKLMJRYCABGR-MRXNPFEDSA-N 1 0 335.404 2.210 10 5 EEBERO Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001627288787 1352490350 /nfs/dbraw/zinc/49/03/50/1352490350.db2.gz CFALYRPJXLINON-LLVKDONJSA-N 1 0 336.348 2.026 10 5 EEBERO COC(=O)c1cnc(NCc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC001640009045 1352704490 /nfs/dbraw/zinc/70/44/90/1352704490.db2.gz LPZHTHALOUKBFP-UHFFFAOYSA-N 1 0 327.300 2.036 10 5 EEBERO CCOCCOC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001644337779 1352761191 /nfs/dbraw/zinc/76/11/91/1352761191.db2.gz BWHSZHVFLXTZAB-KRWDZBQOSA-N 1 0 338.404 2.146 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001648347396 1353425801 /nfs/dbraw/zinc/42/58/01/1353425801.db2.gz QWXPRLWYKVGFKA-AWEZNQCLSA-N 1 0 343.387 2.199 10 5 EEBERO CC(C)(C)OC(=O)NC[C@]12C[N@H+](CC[N+](=O)[O-])C[C@@H]1CCCC2 ZINC001648667982 1353438276 /nfs/dbraw/zinc/43/82/76/1353438276.db2.gz IEHDEYQIUGFNCI-XJKSGUPXSA-N 1 0 327.425 2.280 10 5 EEBERO [NH3+]C1(CO)CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC001651599832 1354057236 /nfs/dbraw/zinc/05/72/36/1354057236.db2.gz COEIYCNHIZZHHA-UHFFFAOYSA-N 1 0 336.779 2.086 10 5 EEBERO COc1cc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])cc1OC ZINC001651590160 1354057587 /nfs/dbraw/zinc/05/75/87/1354057587.db2.gz OBBLCYCEHOVUFW-OAHLLOKOSA-N 1 0 341.433 2.461 10 5 EEBERO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001654909649 1354161267 /nfs/dbraw/zinc/16/12/67/1354161267.db2.gz RPLNDLVGKWTHOK-WBMJQRKESA-N 1 0 335.404 2.453 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1Cl ZINC001663661761 1355013247 /nfs/dbraw/zinc/01/32/47/1355013247.db2.gz YTSNUHACUZEQIG-UKRRQHHQSA-N 1 0 339.823 2.333 10 5 EEBERO Cc1[nH]ccc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001698986348 1405203119 /nfs/dbraw/zinc/20/31/19/1405203119.db2.gz CQFPUCPNBPYGFK-UHFFFAOYSA-N 1 0 330.388 2.435 10 5 EEBERO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([NH+]2CCC2)CC1 ZINC000912876549 788439379 /nfs/dbraw/zinc/43/93/79/788439379.db2.gz JOHXVGLFIJQYMV-UHFFFAOYSA-N 1 0 342.399 2.315 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@]4(C3)CCCOC4)n2)c1 ZINC000789540449 808052760 /nfs/dbraw/zinc/05/27/60/808052760.db2.gz JABSODVNXHHBBT-QGZVFWFLSA-N 1 0 343.387 2.313 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC001450711363 1095109290 /nfs/dbraw/zinc/10/92/90/1095109290.db2.gz WKFIOHJWOFMUJY-MRXNPFEDSA-N 1 0 346.362 2.470 10 5 EEBERO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001442427299 1096751980 /nfs/dbraw/zinc/75/19/80/1096751980.db2.gz GRFZCJNLAMCBSL-JTQLQIEISA-N 1 0 340.811 2.292 10 5 EEBERO C[N@H+](CCCNC(=O)Cc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC001479803478 1099037361 /nfs/dbraw/zinc/03/73/61/1099037361.db2.gz SEBSIEAUIGGVRJ-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001545988760 1101290674 /nfs/dbraw/zinc/29/06/74/1101290674.db2.gz SDXDPNQAOMTXQR-CYBMUJFWSA-N 1 0 334.420 2.275 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC001497591110 1102713442 /nfs/dbraw/zinc/71/34/42/1102713442.db2.gz NZQNHPSUJWHIJC-OWOJBTEDSA-N 1 0 332.385 2.127 10 5 EEBERO Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1C ZINC001480841344 1107248826 /nfs/dbraw/zinc/24/88/26/1107248826.db2.gz NCKDLYIWMDIJDZ-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CC(C)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001460971111 1110330427 /nfs/dbraw/zinc/33/04/27/1110330427.db2.gz GUXMUTLWEVNYDG-GOSISDBHSA-N 1 0 344.415 2.334 10 5 EEBERO COc1ccc(NC(=O)C[NH2+][C@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001473866283 1110583021 /nfs/dbraw/zinc/58/30/21/1110583021.db2.gz BGWXDTYZRGZJLC-HNNXBMFYSA-N 1 0 349.387 2.233 10 5 EEBERO CCc1nc[nH]c1C(=O)N(CC)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001568795317 1124808473 /nfs/dbraw/zinc/80/84/73/1124808473.db2.gz RINHKQVFTQAAPV-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO [NH3+]C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000051694700 214100601 /nfs/dbraw/zinc/10/06/01/214100601.db2.gz XWGYZDVHWKCDDD-UHFFFAOYSA-N 1 0 342.193 2.357 10 5 EEBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000054647781 214247327 /nfs/dbraw/zinc/24/73/27/214247327.db2.gz IEZTVHUGJJOWTO-UHFFFAOYSA-N 1 0 346.431 2.407 10 5 EEBERO C[C@@H]1CN(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066562258 215053859 /nfs/dbraw/zinc/05/38/59/215053859.db2.gz JOMXMGCIBHFIAL-OAHLLOKOSA-N 1 0 333.432 2.322 10 5 EEBERO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068902521 215344959 /nfs/dbraw/zinc/34/49/59/215344959.db2.gz PWCAQGPWFKYBNT-UHFFFAOYSA-N 1 0 347.462 2.199 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000423658449 240562290 /nfs/dbraw/zinc/56/22/90/240562290.db2.gz DDJQPTFEZNAZGN-CABZTGNLSA-N 1 0 332.385 2.280 10 5 EEBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451259996 243052197 /nfs/dbraw/zinc/05/21/97/243052197.db2.gz UBQBGOQPBYYQSU-CZUORRHYSA-N 1 0 335.404 2.325 10 5 EEBERO Cc1cc(Br)c(NC(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000097107782 218957348 /nfs/dbraw/zinc/95/73/48/218957348.db2.gz GHUDOIFELXSNCK-UHFFFAOYSA-N 1 0 345.197 2.349 10 5 EEBERO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000101576285 159253872 /nfs/dbraw/zinc/25/38/72/159253872.db2.gz RHMYNDDMAYQOOD-UHFFFAOYSA-N 1 0 347.462 2.057 10 5 EEBERO CC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000106113221 159312440 /nfs/dbraw/zinc/31/24/40/159312440.db2.gz LNFJMKODVSULPO-CYBMUJFWSA-N 1 0 325.384 2.277 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000188860566 160130917 /nfs/dbraw/zinc/13/09/17/160130917.db2.gz UBGZYPXTXJGRCW-UHFFFAOYSA-N 1 0 344.415 2.115 10 5 EEBERO COC(=O)c1cnc(NC[C@H]2CCC[N@@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000189366120 160140788 /nfs/dbraw/zinc/14/07/88/160140788.db2.gz VYDCTADJVHICDN-CYBMUJFWSA-N 1 0 336.392 2.309 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195084135 160205993 /nfs/dbraw/zinc/20/59/93/160205993.db2.gz FWSXDNMBUZYDRB-QGZVFWFLSA-N 1 0 346.431 2.484 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000245909114 160256714 /nfs/dbraw/zinc/25/67/14/160256714.db2.gz VFDRWSLZKRNIRW-HZMBPMFUSA-N 1 0 349.416 2.192 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246814636 160295981 /nfs/dbraw/zinc/29/59/81/160295981.db2.gz DIRZJLILMSZBLS-TZMCWYRMSA-N 1 0 335.404 2.452 10 5 EEBERO O=C(C[N@H+]1CCCCC[C@H]1CCO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000342066123 161036646 /nfs/dbraw/zinc/03/66/46/161036646.db2.gz NWWULHQDUYEIFO-HNNXBMFYSA-N 1 0 347.415 2.111 10 5 EEBERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342432368 161065087 /nfs/dbraw/zinc/06/50/87/161065087.db2.gz FQVQNMYCRIBNAA-BMIGLBTASA-N 1 0 341.358 2.214 10 5 EEBERO CC[C@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000343250071 161116805 /nfs/dbraw/zinc/11/68/05/161116805.db2.gz LWFWMRNTLIUONA-GXFFZTMASA-N 1 0 347.375 2.223 10 5 EEBERO CCN(CC[NH+]1CCCCCC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000343785400 161168179 /nfs/dbraw/zinc/16/81/79/161168179.db2.gz HVVXOLKZRYSOJZ-UHFFFAOYSA-N 1 0 332.408 2.340 10 5 EEBERO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358993933 164032508 /nfs/dbraw/zinc/03/25/08/164032508.db2.gz VDORNDFCKBGKKU-JTQLQIEISA-N 1 0 343.330 2.220 10 5 EEBERO C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000376513297 167341271 /nfs/dbraw/zinc/34/12/71/167341271.db2.gz QCUCLSYDRPRJKX-WCQYABFASA-N 1 0 348.359 2.202 10 5 EEBERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000277739179 269177320 /nfs/dbraw/zinc/17/73/20/269177320.db2.gz PNFQLJRCVOINTF-OAHLLOKOSA-N 1 0 329.404 2.395 10 5 EEBERO CCOc1cc(N2CC[NH+](CCSC)CC2)ccc1[N+](=O)[O-] ZINC000280192439 269336855 /nfs/dbraw/zinc/33/68/55/269336855.db2.gz IBKXHHSXQSXAPH-UHFFFAOYSA-N 1 0 325.434 2.479 10 5 EEBERO CS[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000278539034 274368579 /nfs/dbraw/zinc/36/85/79/274368579.db2.gz UTJWKJYIHRRBHL-LSDHHAIUSA-N 1 0 347.444 2.487 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292212124 275394848 /nfs/dbraw/zinc/39/48/48/275394848.db2.gz UDQSEIBGTYODLM-KDOFPFPSSA-N 1 0 346.431 2.258 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000342482203 276251014 /nfs/dbraw/zinc/25/10/14/276251014.db2.gz XZOQOEBVHCHLIP-RYUDHWBXSA-N 1 0 336.392 2.004 10 5 EEBERO COC(=O)c1cc(C)nc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376260457 277150743 /nfs/dbraw/zinc/15/07/43/277150743.db2.gz OFSWXZGGFQOPCL-OLZOCXBDSA-N 1 0 348.403 2.148 10 5 EEBERO CC[NH+](CC)CCNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577994420 320287784 /nfs/dbraw/zinc/28/77/84/320287784.db2.gz DMHSYYNXOVMXBH-UHFFFAOYSA-N 1 0 347.419 2.260 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000590659191 468297649 /nfs/dbraw/zinc/29/76/49/468297649.db2.gz YVIWFSMSTPNJJD-WBVHZDCISA-N 1 0 348.399 2.268 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000590659188 468297875 /nfs/dbraw/zinc/29/78/75/468297875.db2.gz YVIWFSMSTPNJJD-DOTOQJQBSA-N 1 0 348.399 2.268 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)nc1-c1ccccc1 ZINC000090086636 462774417 /nfs/dbraw/zinc/77/44/17/462774417.db2.gz JPBUIWSQXJBLQB-UHFFFAOYSA-N 1 0 342.399 2.161 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000076487999 462867053 /nfs/dbraw/zinc/86/70/53/462867053.db2.gz XSSMWXILGIMXHR-TZMCWYRMSA-N 1 0 335.404 2.406 10 5 EEBERO CC[NH+]1CCN(c2ccc(CNc3ncccc3[N+](=O)[O-])cn2)CC1 ZINC000076804188 462911743 /nfs/dbraw/zinc/91/17/43/462911743.db2.gz ORMLGFSLHOWQSE-UHFFFAOYSA-N 1 0 342.403 2.139 10 5 EEBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000121117894 463082630 /nfs/dbraw/zinc/08/26/30/463082630.db2.gz MYIVMQJVZDYPOA-GXTWGEPZSA-N 1 0 335.404 2.406 10 5 EEBERO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000157778320 463168462 /nfs/dbraw/zinc/16/84/62/463168462.db2.gz OVNLIMGNLABEIL-GFCCVEGCSA-N 1 0 347.419 2.367 10 5 EEBERO CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000069841741 463335847 /nfs/dbraw/zinc/33/58/47/463335847.db2.gz KGSVUESHRVXXRI-UHFFFAOYSA-N 1 0 341.433 2.010 10 5 EEBERO O=[N+]([O-])c1cccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1 ZINC000185073337 463746997 /nfs/dbraw/zinc/74/69/97/463746997.db2.gz WZEFOMXSFPPETA-UHFFFAOYSA-N 1 0 346.362 2.255 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287505679 463907479 /nfs/dbraw/zinc/90/74/79/463907479.db2.gz UTHDRQQGCBBCTQ-AWEZNQCLSA-N 1 0 336.411 2.340 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178704429 463946738 /nfs/dbraw/zinc/94/67/38/463946738.db2.gz XQJSKPWVTOJSLU-CJNGLKHVSA-N 1 0 334.420 2.467 10 5 EEBERO C[C@@H]1C[N@@H+](CCN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000278823065 463995758 /nfs/dbraw/zinc/99/57/58/463995758.db2.gz JKWQEQGOHAIQAQ-TXEJJXNPSA-N 1 0 333.392 2.017 10 5 EEBERO C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000172305084 464045281 /nfs/dbraw/zinc/04/52/81/464045281.db2.gz PWXRBMZYXSCEFG-CYBMUJFWSA-N 1 0 349.412 2.212 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000554218398 468391960 /nfs/dbraw/zinc/39/19/60/468391960.db2.gz OHKAVDZIQPHUGR-OAHLLOKOSA-N 1 0 334.420 2.387 10 5 EEBERO C[N@@H+]1CC[C@]2(CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000292272428 464180488 /nfs/dbraw/zinc/18/04/88/464180488.db2.gz ZRGBMVSISRQUKL-KRWDZBQOSA-N 1 0 343.387 2.172 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000284977427 464414107 /nfs/dbraw/zinc/41/41/07/464414107.db2.gz XWERRNBWBGCBJU-GDBMZVCRSA-N 1 0 335.404 2.009 10 5 EEBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246215144 464560048 /nfs/dbraw/zinc/56/00/48/464560048.db2.gz PLGQFOOTZLDYFL-WCQYABFASA-N 1 0 341.433 2.006 10 5 EEBERO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295125060 464715675 /nfs/dbraw/zinc/71/56/75/464715675.db2.gz NWDNDPZWPHTWLV-ZFWWWQNUSA-N 1 0 325.796 2.153 10 5 EEBERO CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C[C@@H](C)O ZINC000177054237 464917505 /nfs/dbraw/zinc/91/75/05/464917505.db2.gz LTSMQOBXPWUQNC-CHWSQXEVSA-N 1 0 348.403 2.013 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177083290 464924715 /nfs/dbraw/zinc/92/47/15/464924715.db2.gz ZWAXASXUUZJARF-UHFFFAOYSA-N 1 0 349.431 2.476 10 5 EEBERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000267352385 464926938 /nfs/dbraw/zinc/92/69/38/464926938.db2.gz MCQPQWAQCYOFHJ-CYBMUJFWSA-N 1 0 347.209 2.234 10 5 EEBERO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295687057 464929440 /nfs/dbraw/zinc/92/94/40/464929440.db2.gz HVTWWOQCCTUJQT-AEJSXWLSSA-N 1 0 329.784 2.182 10 5 EEBERO Cc1n[nH]c(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000345880361 465912587 /nfs/dbraw/zinc/91/25/87/465912587.db2.gz FXMOSOXWVAQOCL-UHFFFAOYSA-N 1 0 337.424 2.353 10 5 EEBERO C[NH+](C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccco1 ZINC000301592441 465993237 /nfs/dbraw/zinc/99/32/37/465993237.db2.gz DNUMSAXLKUPAQL-CYBMUJFWSA-N 1 0 346.343 2.234 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301685659 466008668 /nfs/dbraw/zinc/00/86/68/466008668.db2.gz LLQOHJCHKXMXBI-LLVKDONJSA-N 1 0 334.376 2.212 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(NCC[N@@H+]3CCc4ccccc4C3)nn21 ZINC000301842853 466044802 /nfs/dbraw/zinc/04/48/02/466044802.db2.gz QSMVQTWOPABHNO-UHFFFAOYSA-N 1 0 338.371 2.108 10 5 EEBERO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362867557 466084980 /nfs/dbraw/zinc/08/49/80/466084980.db2.gz JMFAZPWLBJVJSA-NSHDSACASA-N 1 0 341.358 2.216 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000302185603 466114253 /nfs/dbraw/zinc/11/42/53/466114253.db2.gz PGAGHHDFFAJBAQ-KGLIPLIRSA-N 1 0 333.388 2.302 10 5 EEBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000353938714 466269031 /nfs/dbraw/zinc/26/90/31/466269031.db2.gz YJQKQJXWMPZFOF-UHFFFAOYSA-N 1 0 329.360 2.208 10 5 EEBERO Cc1cc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)on1 ZINC000353995996 466311013 /nfs/dbraw/zinc/31/10/13/466311013.db2.gz MXOGLGLFWOFNJM-LLVKDONJSA-N 1 0 332.360 2.441 10 5 EEBERO Nc1nccc([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000365984824 467012952 /nfs/dbraw/zinc/01/29/52/467012952.db2.gz BAAKLVGXVMFJGB-ZDUSSCGKSA-N 1 0 343.387 2.225 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000378224512 467234199 /nfs/dbraw/zinc/23/41/99/467234199.db2.gz KAMXBGMBGHLGQZ-IUODEOHRSA-N 1 0 333.388 2.208 10 5 EEBERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC12COC2 ZINC000451137555 467248338 /nfs/dbraw/zinc/24/83/38/467248338.db2.gz PIGWBILETZXKLR-GXTWGEPZSA-N 1 0 334.372 2.167 10 5 EEBERO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000408029475 467497222 /nfs/dbraw/zinc/49/72/22/467497222.db2.gz XWGNJXJLTLOEJV-DLBZAZTESA-N 1 0 342.399 2.361 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000408153695 467518802 /nfs/dbraw/zinc/51/88/02/467518802.db2.gz LHNLBKJOSDVFLX-AAEUAGOBSA-N 1 0 328.372 2.385 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449357531 467633041 /nfs/dbraw/zinc/63/30/41/467633041.db2.gz AXCLKJLRFMUAND-VOKWIDLSSA-N 1 0 331.416 2.403 10 5 EEBERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494643515 468076639 /nfs/dbraw/zinc/07/66/39/468076639.db2.gz RKUGETDTOMLQER-GFCCVEGCSA-N 1 0 335.385 2.226 10 5 EEBERO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531888876 468082657 /nfs/dbraw/zinc/08/26/57/468082657.db2.gz CXVFPURFIJISLZ-UHFFFAOYSA-N 1 0 328.372 2.194 10 5 EEBERO C[N@@H+]1CCCC[C@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589530576 468159335 /nfs/dbraw/zinc/15/93/35/468159335.db2.gz REDDZXWVQHAJDL-INIZCTEOSA-N 1 0 330.388 2.219 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600470721 468566891 /nfs/dbraw/zinc/56/68/91/468566891.db2.gz IDSDXTQQECLDSD-GFCCVEGCSA-N 1 0 335.408 2.188 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000594401948 468573616 /nfs/dbraw/zinc/57/36/16/468573616.db2.gz KVOVKWIWFAPATF-OKILXGFUSA-N 1 0 335.404 2.129 10 5 EEBERO CN1CCO[C@@H](CSc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000591953135 468581830 /nfs/dbraw/zinc/58/18/30/468581830.db2.gz CLZMVUMYEJLGFH-MRVPVSSYSA-N 1 0 326.403 2.022 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000597920358 468711366 /nfs/dbraw/zinc/71/13/66/468711366.db2.gz ANWYMAFDMXBGDR-SNVBAGLBSA-N 1 0 341.358 2.405 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000601100780 468741640 /nfs/dbraw/zinc/74/16/40/468741640.db2.gz HRDZKWDICYVJNX-UHFFFAOYSA-N 1 0 330.363 2.494 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598160288 468781211 /nfs/dbraw/zinc/78/12/11/468781211.db2.gz KUMGERZWSOCRMS-UHFFFAOYSA-N 1 0 331.294 2.247 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000595231220 468789267 /nfs/dbraw/zinc/78/92/67/468789267.db2.gz NTDYXNZSHQSFEP-UHFFFAOYSA-N 1 0 344.293 2.487 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595272926 468798393 /nfs/dbraw/zinc/79/83/93/468798393.db2.gz HXGNNZOXXFEORV-NSWWBONSSA-N 1 0 344.415 2.236 10 5 EEBERO Cn1ccnc1[C@H](NCC[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298473 468816179 /nfs/dbraw/zinc/81/61/79/468816179.db2.gz IQAGYTZHVBUSSS-QWHCGFSZSA-N 1 0 340.330 2.023 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CN(c3ccncn3)C1)CCC2 ZINC000601304275 468819145 /nfs/dbraw/zinc/81/91/45/468819145.db2.gz OYVCDGHWRUXAQE-MRXNPFEDSA-N 1 0 325.372 2.241 10 5 EEBERO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593463484 468991026 /nfs/dbraw/zinc/99/10/26/468991026.db2.gz WXWAMSSXWMKUSN-ZDUSSCGKSA-N 1 0 329.404 2.191 10 5 EEBERO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593463483 468991201 /nfs/dbraw/zinc/99/12/01/468991201.db2.gz WXWAMSSXWMKUSN-CYBMUJFWSA-N 1 0 329.404 2.191 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000595767388 468996798 /nfs/dbraw/zinc/99/67/98/468996798.db2.gz PWRUCURKGVYRER-INIZCTEOSA-N 1 0 348.378 2.204 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000595851820 469046388 /nfs/dbraw/zinc/04/63/88/469046388.db2.gz UTBWEERNWKVJGT-CQSZACIVSA-N 1 0 335.404 2.340 10 5 EEBERO COc1cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595905819 469075565 /nfs/dbraw/zinc/07/55/65/469075565.db2.gz GQIYLNIERYIIBJ-NXEZZACHSA-N 1 0 349.309 2.076 10 5 EEBERO CN1CCOC[C@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000599002765 469084922 /nfs/dbraw/zinc/08/49/22/469084922.db2.gz AQQDBQYHHVGKMY-OAHLLOKOSA-N 1 0 331.372 2.275 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000602828907 469103234 /nfs/dbraw/zinc/10/32/34/469103234.db2.gz SYVNAUZZHVJMKW-BVUBDWEXSA-N 1 0 336.436 2.361 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000601975681 469123266 /nfs/dbraw/zinc/12/32/66/469123266.db2.gz MTHMSLAWHPERJF-IYBDPMFKSA-N 1 0 337.807 2.249 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000599141107 469134097 /nfs/dbraw/zinc/13/40/97/469134097.db2.gz WXRQNZCLCQXSQM-HNNXBMFYSA-N 1 0 342.399 2.993 10 5 EEBERO CC1(C)[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(F)F ZINC000596066984 469137239 /nfs/dbraw/zinc/13/72/39/469137239.db2.gz XDVOBLWEYOSFQR-MFKMUULPSA-N 1 0 330.331 2.215 10 5 EEBERO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000596186564 469192225 /nfs/dbraw/zinc/19/22/25/469192225.db2.gz KITHJABDWLVIFY-INIZCTEOSA-N 1 0 334.420 2.263 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000611336147 469230259 /nfs/dbraw/zinc/23/02/59/469230259.db2.gz SRXPQNKKNKZMAT-SUMWQHHRSA-N 1 0 347.415 2.334 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000604562254 469494867 /nfs/dbraw/zinc/49/48/67/469494867.db2.gz WOFCEEDGJNWFKE-UHFFFAOYSA-N 1 0 326.356 2.261 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000731677943 577116115 /nfs/dbraw/zinc/11/61/15/577116115.db2.gz CNQFLWSGBSWRAU-LBPRGKRZSA-N 1 0 344.293 2.177 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000742424427 577872833 /nfs/dbraw/zinc/87/28/33/577872833.db2.gz CLHVDKQAOHWDDF-LLVKDONJSA-N 1 0 336.417 2.097 10 5 EEBERO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749690319 577980017 /nfs/dbraw/zinc/98/00/17/577980017.db2.gz OEYRJCGVKZUCPV-IEBWSBKVSA-N 1 0 343.427 2.391 10 5 EEBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001481206937 1180157738 /nfs/dbraw/zinc/15/77/38/1180157738.db2.gz FMEKXIBXQULSHI-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001481223192 1180352766 /nfs/dbraw/zinc/35/27/66/1180352766.db2.gz WFLSLBRJAFTREF-UHFFFAOYSA-N 1 0 331.372 2.287 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cc(C2CC2)n[nH]1 ZINC001481283585 1180820526 /nfs/dbraw/zinc/82/05/26/1180820526.db2.gz KSKXDOAKKVRHDI-UHFFFAOYSA-N 1 0 349.416 2.119 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(F)cn1 ZINC001268788636 1183703291 /nfs/dbraw/zinc/70/32/91/1183703291.db2.gz NCRKSQBEAQANCR-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC000872223740 1198096725 /nfs/dbraw/zinc/09/67/25/1198096725.db2.gz NDPRWWMHUUIRNH-SFHVURJKSA-N 1 0 328.368 2.491 10 5 EEBERO NC(=O)c1ccc(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000878303376 1200386578 /nfs/dbraw/zinc/38/65/78/1200386578.db2.gz OYNOMGKWMXSPOB-UHFFFAOYSA-N 1 0 325.368 2.295 10 5 EEBERO Cc1ccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000870962729 1200978433 /nfs/dbraw/zinc/97/84/33/1200978433.db2.gz ODNNKKGHFLJLEI-INIZCTEOSA-N 1 0 325.368 2.406 10 5 EEBERO CC1([NH+]2CCC2)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000882502311 1201885259 /nfs/dbraw/zinc/88/52/59/1201885259.db2.gz LRJUDLRNTFHQEW-UHFFFAOYSA-N 1 0 333.388 2.060 10 5 EEBERO CCCC(=O)NC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCCC1 ZINC001276176735 1205815824 /nfs/dbraw/zinc/81/58/24/1205815824.db2.gz VBIDNWRDXZCOER-UHFFFAOYSA-N 1 0 337.424 2.037 10 5 EEBERO C[NH+](C)CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccnc1 ZINC000928835955 1206425948 /nfs/dbraw/zinc/42/59/48/1206425948.db2.gz LCBXKHQSDDHTNY-CYBMUJFWSA-N 1 0 334.401 2.474 10 5 EEBERO Cc1nn(C)c(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000117100555 1229005706 /nfs/dbraw/zinc/00/57/06/1229005706.db2.gz MLOBIKNKORMFJK-AWEZNQCLSA-N 1 0 344.371 2.068 10 5 EEBERO C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850500016 1277248952 /nfs/dbraw/zinc/24/89/52/1277248952.db2.gz CACMSZDZCOSGTD-NHYWBVRUSA-N 1 0 340.383 2.415 10 5 EEBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC([NH+](C)C)C1 ZINC000857229476 1293765923 /nfs/dbraw/zinc/76/59/23/1293765923.db2.gz UNAMTIRKAOFLEN-GCVQQVDUSA-N 1 0 341.795 2.224 10 5 EEBERO CN1C(=O)c2ccccc2[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863581795 1296343840 /nfs/dbraw/zinc/34/38/40/1296343840.db2.gz WPFHYTJIJJFBFF-SJORKVTESA-N 1 0 341.367 2.045 10 5 EEBERO O=C1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CN1 ZINC000926985303 1296979004 /nfs/dbraw/zinc/97/90/04/1296979004.db2.gz JSFZYTNJUAKXAI-OFQRWUPVSA-N 1 0 331.416 2.422 10 5 EEBERO CCCOCC(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001281484987 1325158421 /nfs/dbraw/zinc/15/84/21/1325158421.db2.gz JTZFWLVFNLGVSK-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO C[NH+]1CCC2(CCC(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC001298499078 1330092609 /nfs/dbraw/zinc/09/26/09/1330092609.db2.gz KQXQFSNIJXKUSR-UHFFFAOYSA-N 1 0 348.403 2.080 10 5 EEBERO COCC1(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001317111029 1332083957 /nfs/dbraw/zinc/08/39/57/1332083957.db2.gz ZRBOGOVYSCRGLN-GASCZTMLSA-N 1 0 347.415 2.148 10 5 EEBERO CCc1nc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001317579217 1332306604 /nfs/dbraw/zinc/30/66/04/1332306604.db2.gz JQXZPEFNROGQCN-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)no1 ZINC001317658540 1332354179 /nfs/dbraw/zinc/35/41/79/1332354179.db2.gz OMTISGXWCITQCH-UHFFFAOYSA-N 1 0 338.751 2.098 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)CC2(C)CC2)CC1 ZINC001318960727 1332629906 /nfs/dbraw/zinc/62/99/06/1332629906.db2.gz DMWXTJXNNSEPAX-JOCQHMNTSA-N 1 0 349.435 2.036 10 5 EEBERO CCc1n[nH]cc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001322591582 1333289252 /nfs/dbraw/zinc/28/92/52/1333289252.db2.gz LHXJDENYOKXQPO-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2nn(C)cc2[N+](=O)[O-])o1 ZINC001326081719 1334024201 /nfs/dbraw/zinc/02/42/01/1334024201.db2.gz YNMRYQIDFBWUHH-NSHDSACASA-N 1 0 334.380 2.214 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001345662595 1337455773 /nfs/dbraw/zinc/45/57/73/1337455773.db2.gz FFPZMEXVHGYARP-OAHLLOKOSA-N 1 0 334.372 2.313 10 5 EEBERO Cc1cc(OCC(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001557279779 1342445210 /nfs/dbraw/zinc/44/52/10/1342445210.db2.gz FFQSJZPQVNWUBA-MRXNPFEDSA-N 1 0 349.431 2.471 10 5 EEBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001570235307 1343039208 /nfs/dbraw/zinc/03/92/08/1343039208.db2.gz VPDIMRAFDGYQBI-UHFFFAOYSA-N 1 0 330.344 2.318 10 5 EEBERO Cn1cc([N+](=O)[O-])c(Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)n1 ZINC001651733819 1354062696 /nfs/dbraw/zinc/06/26/96/1354062696.db2.gz MAXHBXOEEYGIMP-UHFFFAOYSA-N 1 0 345.403 2.201 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](C3CC3)[NH+](C)C)c2c1 ZINC001655098212 1354164845 /nfs/dbraw/zinc/16/48/45/1354164845.db2.gz AARATRQZLRHTCX-HNNXBMFYSA-N 1 0 330.388 2.326 10 5 EEBERO CC(F)(F)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001656116136 1354204982 /nfs/dbraw/zinc/20/49/82/1354204982.db2.gz HYIAOCUCZRZIIP-WAAGHKOSSA-N 1 0 333.360 2.296 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC001668772524 1356001627 /nfs/dbraw/zinc/00/16/27/1356001627.db2.gz CYGRQQLJONPNEF-UPHRSURJSA-N 1 0 344.346 2.205 10 5 EEBERO C[C@@H]1CC[N@H+](CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001136975864 788378641 /nfs/dbraw/zinc/37/86/41/788378641.db2.gz NGCWJWACKFIIFE-GFCCVEGCSA-N 1 0 342.399 2.402 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913274935 788750621 /nfs/dbraw/zinc/75/06/21/788750621.db2.gz QYWSORSZNBECPH-IAGOWNOFSA-N 1 0 335.379 2.077 10 5 EEBERO Cc1c(CC(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000913283066 788759218 /nfs/dbraw/zinc/75/92/18/788759218.db2.gz FHWGIYNSTXKDBZ-ROUUACIJSA-N 1 0 331.416 2.246 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913295308 788772256 /nfs/dbraw/zinc/77/22/56/788772256.db2.gz RYPXJXKKFLIYJZ-ULJNDFNZSA-N 1 0 329.400 2.408 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CONC(=[NH2+])COC(C)(C)C)c1 ZINC000844767229 789381577 /nfs/dbraw/zinc/38/15/77/789381577.db2.gz ZMCRMCDMEBTJBN-UHFFFAOYSA-N 1 0 339.348 2.195 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@]4(C3)CCCC[NH2+]4)n2)cc1 ZINC000923534812 789727253 /nfs/dbraw/zinc/72/72/53/789727253.db2.gz RGROJMVPRAHHFC-KRWDZBQOSA-N 1 0 343.387 2.363 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@]4(C3)CCCC[NH2+]4)n2)cc1 ZINC000923534814 789727328 /nfs/dbraw/zinc/72/73/28/789727328.db2.gz RGROJMVPRAHHFC-QGZVFWFLSA-N 1 0 343.387 2.363 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536750 789738833 /nfs/dbraw/zinc/73/88/33/789738833.db2.gz PCKCAILXYYHUCO-KRWDZBQOSA-N 1 0 332.404 2.060 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001144808407 790166253 /nfs/dbraw/zinc/16/62/53/790166253.db2.gz UXLZUOKZTVBPHU-CQSZACIVSA-N 1 0 340.383 2.481 10 5 EEBERO CN(CC(C)(C)C[NH+](C)C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001180078222 800258133 /nfs/dbraw/zinc/25/81/33/800258133.db2.gz LGBYBZFXERCSET-UHFFFAOYSA-N 1 0 336.436 2.077 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000792925115 810072704 /nfs/dbraw/zinc/07/27/04/810072704.db2.gz IEHAYRRXCAZYCX-JKSUJKDBSA-N 1 0 335.404 2.009 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001497573293 1102684552 /nfs/dbraw/zinc/68/45/52/1102684552.db2.gz ODBHRUBVBQFEAZ-PLKBPYKHSA-N 1 0 340.383 2.398 10 5 EEBERO C[NH+](C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001464551766 1110397236 /nfs/dbraw/zinc/39/72/36/1110397236.db2.gz JLBYLHYWJGLJJG-UHFFFAOYSA-N 1 0 344.371 2.370 10 5 EEBERO O=C(Cc1ccoc1)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001479290431 1110676772 /nfs/dbraw/zinc/67/67/72/1110676772.db2.gz FBMVSRHUNFTYGI-XBXGTLAGSA-N 1 0 349.412 2.476 10 5 EEBERO C[N@H+](CCSc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccccc1 ZINC000193745370 240292984 /nfs/dbraw/zinc/29/29/84/240292984.db2.gz FBVGIDYRRZAMHQ-UHFFFAOYSA-N 1 0 346.412 2.313 10 5 EEBERO CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC12COC2 ZINC000451131896 243010416 /nfs/dbraw/zinc/01/04/16/243010416.db2.gz HSPXDFVUVLBQFR-CJNGLKHVSA-N 1 0 348.399 2.476 10 5 EEBERO CNc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017506 218186279 /nfs/dbraw/zinc/18/62/79/218186279.db2.gz LTAWJAXSCXVOGL-MRXNPFEDSA-N 1 0 348.447 2.181 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3nc[nH]c3C2)n1 ZINC000353626490 285168183 /nfs/dbraw/zinc/16/81/83/285168183.db2.gz ILFVYZUKIPZEPI-CORIIIEPSA-N 1 0 330.392 2.145 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000273004593 256255915 /nfs/dbraw/zinc/25/59/15/256255915.db2.gz AGGVFKVXFBKUHC-KGLIPLIRSA-N 1 0 335.404 2.049 10 5 EEBERO C[NH+](C)CCOc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067329909 292159253 /nfs/dbraw/zinc/15/92/53/292159253.db2.gz AVHJVHSSTSDMNS-UHFFFAOYSA-N 1 0 343.383 2.465 10 5 EEBERO Cc1nc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC000105867020 159310102 /nfs/dbraw/zinc/31/01/02/159310102.db2.gz RLRUCJMGZYYPKR-UHFFFAOYSA-N 1 0 345.403 2.303 10 5 EEBERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000106110958 159312650 /nfs/dbraw/zinc/31/26/50/159312650.db2.gz BJPLVCSHSUIWRY-AWEZNQCLSA-N 1 0 337.420 2.146 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191875181 160162552 /nfs/dbraw/zinc/16/25/52/160162552.db2.gz JYWRIFNWBWHQGZ-ZDUSSCGKSA-N 1 0 343.449 2.220 10 5 EEBERO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000194405551 160193402 /nfs/dbraw/zinc/19/34/02/160193402.db2.gz DBPVVMKLDLLTQR-UHFFFAOYSA-N 1 0 347.462 2.198 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245475453 160238123 /nfs/dbraw/zinc/23/81/23/160238123.db2.gz RXFWVTKNMVTNSX-SJORKVTESA-N 1 0 346.431 2.116 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000245655172 160247090 /nfs/dbraw/zinc/24/70/90/160247090.db2.gz CLLKJPWGALGWHH-RDJZCZTQSA-N 1 0 346.431 2.406 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCN(Cc4ccccn4)CC3)nc2c1 ZINC000277778804 269181970 /nfs/dbraw/zinc/18/19/70/269181970.db2.gz MBEVTLOZDNKTOR-UHFFFAOYSA-N 1 0 338.371 2.188 10 5 EEBERO COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000271387269 274127683 /nfs/dbraw/zinc/12/76/83/274127683.db2.gz YJFJGCTUJSIFIP-UHFFFAOYSA-N 1 0 330.388 2.302 10 5 EEBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[N@@H+](CCO)CC1 ZINC000171506867 275033164 /nfs/dbraw/zinc/03/31/64/275033164.db2.gz LLHPBFLWGMDOSO-UHFFFAOYSA-N 1 0 333.310 2.118 10 5 EEBERO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000292003510 275362868 /nfs/dbraw/zinc/36/28/68/275362868.db2.gz RMCQLEBMZUQJFV-CYBMUJFWSA-N 1 0 344.415 2.424 10 5 EEBERO [NH3+]CCN(CCc1ccccc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562796825 318931429 /nfs/dbraw/zinc/93/14/29/318931429.db2.gz ITQUFYSGCPLQGZ-UHFFFAOYSA-N 1 0 342.399 2.308 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)cn1 ZINC000566536990 319297714 /nfs/dbraw/zinc/29/77/14/319297714.db2.gz FSEUHHYJGYHVKJ-INIZCTEOSA-N 1 0 334.420 2.053 10 5 EEBERO COC1CCC(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000578618445 323668684 /nfs/dbraw/zinc/66/86/84/323668684.db2.gz AJZAXAADPJTTSK-OGVSOVDVSA-N 1 0 338.404 2.129 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000328232397 465057741 /nfs/dbraw/zinc/05/77/41/465057741.db2.gz XUAGGTRTNLXWAG-UHFFFAOYSA-N 1 0 348.403 2.089 10 5 EEBERO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347889015 465288416 /nfs/dbraw/zinc/28/84/16/465288416.db2.gz JHBYZHCAFBHWCI-CYBMUJFWSA-N 1 0 328.372 2.385 10 5 EEBERO O=C(CN1CC[C@@H](Oc2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152582430 462551213 /nfs/dbraw/zinc/55/12/13/462551213.db2.gz LOXLTUQRZQVXCV-CQSZACIVSA-N 1 0 342.355 2.082 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCSCC1 ZINC000089985507 462760586 /nfs/dbraw/zinc/76/05/86/462760586.db2.gz ILKBJUBMYJFCBI-UHFFFAOYSA-N 1 0 339.417 2.371 10 5 EEBERO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000155612760 462917665 /nfs/dbraw/zinc/91/76/65/462917665.db2.gz IEUPOLIHCNRKFO-UHFFFAOYSA-N 1 0 349.840 2.175 10 5 EEBERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000161263459 463415202 /nfs/dbraw/zinc/41/52/02/463415202.db2.gz LOMWULBXJMNRGP-CQSZACIVSA-N 1 0 345.403 2.465 10 5 EEBERO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172640848 464123994 /nfs/dbraw/zinc/12/39/94/464123994.db2.gz RSKLXVIRJMJPDX-LLVKDONJSA-N 1 0 337.351 2.195 10 5 EEBERO COc1cccc(F)c1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000179894881 464204749 /nfs/dbraw/zinc/20/47/49/464204749.db2.gz XGWFOXWTMNEQMJ-LLVKDONJSA-N 1 0 335.335 2.255 10 5 EEBERO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ncccc1[N+](=O)[O-] ZINC000285076591 464446724 /nfs/dbraw/zinc/44/67/24/464446724.db2.gz XUYLKPKEGWMKFJ-XJKSGUPXSA-N 1 0 344.419 2.243 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294739577 464590769 /nfs/dbraw/zinc/59/07/69/464590769.db2.gz XYYMMROIUOMNFL-HNNXBMFYSA-N 1 0 333.388 2.110 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182196779 464596046 /nfs/dbraw/zinc/59/60/46/464596046.db2.gz WHDFXKWBEOCINU-CYBMUJFWSA-N 1 0 327.812 2.137 10 5 EEBERO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000183093963 464795425 /nfs/dbraw/zinc/79/54/25/464795425.db2.gz GIRHUKWODRSHBB-TVQRCGJNSA-N 1 0 327.768 2.344 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000248894164 464817750 /nfs/dbraw/zinc/81/77/50/464817750.db2.gz XDLMZROEAQHNOQ-GXTWGEPZSA-N 1 0 335.404 2.406 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183223966 464826363 /nfs/dbraw/zinc/82/63/63/464826363.db2.gz SNYSXEUXOLLMDS-UHIISALHSA-N 1 0 337.376 2.088 10 5 EEBERO Cc1csc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000184282927 464960257 /nfs/dbraw/zinc/96/02/57/464960257.db2.gz XTZGVJQWBAHWAS-NWDGAFQWSA-N 1 0 337.401 2.450 10 5 EEBERO C[C@]12CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298196658 465330260 /nfs/dbraw/zinc/33/02/60/465330260.db2.gz BZINLTOPGUJNEQ-DFBGVHRSSA-N 1 0 342.342 2.312 10 5 EEBERO Nc1c(NC(=O)NCCC[NH+]2CCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597093685 468440467 /nfs/dbraw/zinc/44/04/67/468440467.db2.gz IFNMCTJNPVIWQV-UHFFFAOYSA-N 1 0 341.799 2.438 10 5 EEBERO Cc1c(NC(=O)NC[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000591304517 468444078 /nfs/dbraw/zinc/44/40/78/468444078.db2.gz IIVIQWUUXFJECE-ZCFIWIBFSA-N 1 0 331.170 2.134 10 5 EEBERO CNC(=O)COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000353136931 465666480 /nfs/dbraw/zinc/66/64/80/465666480.db2.gz KXBMXFKOSYFBEZ-UHFFFAOYSA-N 1 0 343.383 2.318 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000366430776 465722066 /nfs/dbraw/zinc/72/20/66/465722066.db2.gz BTIHPLNYOHQUPL-IAOVAPTHSA-N 1 0 347.415 2.227 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330871971 465839989 /nfs/dbraw/zinc/83/99/89/465839989.db2.gz GPNNOMWWQHWKSH-KBPBESRZSA-N 1 0 334.420 2.256 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000362581550 465847187 /nfs/dbraw/zinc/84/71/87/465847187.db2.gz RDBPSZKIMVKUMF-JTQLQIEISA-N 1 0 339.342 2.016 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000580076713 468462934 /nfs/dbraw/zinc/46/29/34/468462934.db2.gz DWYFCJSXLIDAPR-KRWDZBQOSA-N 1 0 325.368 2.222 10 5 EEBERO C[C@@H]1CCC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301693472 466011090 /nfs/dbraw/zinc/01/10/90/466011090.db2.gz OPFKUWCWJWLCKN-LLVKDONJSA-N 1 0 334.376 2.070 10 5 EEBERO O=C1COc2cc([N+](=O)[O-])c(NCCC[NH+]3CCCCC3)cc2N1 ZINC000301709193 466017263 /nfs/dbraw/zinc/01/72/63/466017263.db2.gz WUAYPQUIMXNVBN-UHFFFAOYSA-N 1 0 334.376 2.214 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c(F)c1 ZINC000338478360 466158810 /nfs/dbraw/zinc/15/88/10/466158810.db2.gz WCHUOZJODLFAFW-CJNGLKHVSA-N 1 0 338.379 2.391 10 5 EEBERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000372280586 466273001 /nfs/dbraw/zinc/27/30/01/466273001.db2.gz FCMIAEFKXRNDQR-HUUCEWRRSA-N 1 0 336.388 2.446 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000363264157 466317003 /nfs/dbraw/zinc/31/70/03/466317003.db2.gz JGSQYPIRIIHWNT-NJZAAPMLSA-N 1 0 333.388 2.092 10 5 EEBERO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347016371 466322621 /nfs/dbraw/zinc/32/26/21/466322621.db2.gz WBWXJQNGTPWKGS-CQSZACIVSA-N 1 0 333.388 2.059 10 5 EEBERO Cc1ccc(OC[C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000324702497 466649110 /nfs/dbraw/zinc/64/91/10/466649110.db2.gz YLVCLCCYUOWCDY-QGZVFWFLSA-N 1 0 330.384 2.475 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@H]1c1cc[nH]n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411653275 466867078 /nfs/dbraw/zinc/86/70/78/466867078.db2.gz FGCDYXSLVQTZRB-HNNXBMFYSA-N 1 0 329.360 2.484 10 5 EEBERO COC[C@@](C)(O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449386841 467635105 /nfs/dbraw/zinc/63/51/05/467635105.db2.gz VKWKPWMKFDARTA-AWEZNQCLSA-N 1 0 334.319 2.073 10 5 EEBERO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629090 468066290 /nfs/dbraw/zinc/06/62/90/468066290.db2.gz CUMLMMXIVGLKOM-UHFFFAOYSA-N 1 0 346.362 2.333 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000589864409 468191207 /nfs/dbraw/zinc/19/12/07/468191207.db2.gz KGCQHBQUFURVGA-CQSZACIVSA-N 1 0 342.399 2.230 10 5 EEBERO C[C@@H]1CC[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600711638 468628754 /nfs/dbraw/zinc/62/87/54/468628754.db2.gz TVEBFBROCOPEGM-INWMFGNUSA-N 1 0 329.404 2.148 10 5 EEBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592183835 468647731 /nfs/dbraw/zinc/64/77/31/468647731.db2.gz FXWSZJLDRMJIMS-CQSZACIVSA-N 1 0 345.321 2.138 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc([C@H]3C[NH2+]CCO3)c2)c1 ZINC000600792654 468659598 /nfs/dbraw/zinc/65/95/98/468659598.db2.gz KYCCCGBOJUWUCW-GOSISDBHSA-N 1 0 328.368 2.458 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476032 468705479 /nfs/dbraw/zinc/70/54/79/468705479.db2.gz LUJFAWXVGXMZJD-ILXRZTDVSA-N 1 0 346.431 2.386 10 5 EEBERO CCN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597943934 468719907 /nfs/dbraw/zinc/71/99/07/468719907.db2.gz BBUGSDMQQQFAOQ-OAHLLOKOSA-N 1 0 333.388 2.110 10 5 EEBERO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](CC)C1 ZINC000598040511 468746187 /nfs/dbraw/zinc/74/61/87/468746187.db2.gz GWQDFHLXVXXSEK-LBPRGKRZSA-N 1 0 331.376 2.027 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000601131190 468753873 /nfs/dbraw/zinc/75/38/73/468753873.db2.gz VXDRIQQNOMGFOZ-NXEZZACHSA-N 1 0 347.341 2.268 10 5 EEBERO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC000601292510 468813098 /nfs/dbraw/zinc/81/30/98/468813098.db2.gz PBXWAQFSMIWGHO-UHFFFAOYSA-N 1 0 347.462 2.119 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000595635459 468932801 /nfs/dbraw/zinc/93/28/01/468932801.db2.gz VEQZCMGBUKBUTA-VBNZEHGJSA-N 1 0 338.404 2.259 10 5 EEBERO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598645970 468943558 /nfs/dbraw/zinc/94/35/58/468943558.db2.gz BBJULJNEPQFCNB-NSHDSACASA-N 1 0 344.314 2.282 10 5 EEBERO COc1ccc(OCC[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000595690153 468956289 /nfs/dbraw/zinc/95/62/89/468956289.db2.gz VZRWSKBQSMFQKW-CALCHBBNSA-N 1 0 336.388 2.341 10 5 EEBERO CCc1n[nH]c(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601745788 469001835 /nfs/dbraw/zinc/00/18/35/469001835.db2.gz XLKSKGRXGLXTQS-UHFFFAOYSA-N 1 0 349.435 2.361 10 5 EEBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000586792338 469068866 /nfs/dbraw/zinc/06/88/66/469068866.db2.gz LKROOTRGOWXIIV-ZDUSSCGKSA-N 1 0 343.387 2.055 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N(C)[C@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595907298 469077141 /nfs/dbraw/zinc/07/71/41/469077141.db2.gz IEFJRWXTTMQNSB-BXKDBHETSA-N 1 0 348.325 2.052 10 5 EEBERO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000593670129 469087447 /nfs/dbraw/zinc/08/74/47/469087447.db2.gz LWEKTXLEPIDENT-PHIMTYICSA-N 1 0 332.385 2.072 10 5 EEBERO CNc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595933611 469090611 /nfs/dbraw/zinc/09/06/11/469090611.db2.gz INSZFOZZSPXWAC-HNNXBMFYSA-N 1 0 346.431 2.488 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935801 469090682 /nfs/dbraw/zinc/09/06/82/469090682.db2.gz VOURJWNWPBGWTH-HNNXBMFYSA-N 1 0 347.415 2.212 10 5 EEBERO [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C1 ZINC000593726626 469111453 /nfs/dbraw/zinc/11/14/53/469111453.db2.gz QLVNPISQURFHRC-PBHICJAKSA-N 1 0 335.404 2.019 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000593739080 469117927 /nfs/dbraw/zinc/11/79/27/469117927.db2.gz VIMNNQQLCOXJBA-QEORTHHSSA-N 1 0 335.404 2.019 10 5 EEBERO CC(C)c1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000588814719 469167781 /nfs/dbraw/zinc/16/77/81/469167781.db2.gz XUJPVNFSRDNVHJ-SFHVURJKSA-N 1 0 349.431 2.247 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cn1 ZINC000611195625 469189076 /nfs/dbraw/zinc/18/90/76/469189076.db2.gz VZTLUWLNMODQTR-UHFFFAOYSA-N 1 0 342.359 2.087 10 5 EEBERO CC(=O)c1cc(N2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596269650 469227151 /nfs/dbraw/zinc/22/71/51/469227151.db2.gz WONAXDSMJFWXRX-UHFFFAOYSA-N 1 0 347.415 2.489 10 5 EEBERO Nc1nccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000563853779 469246277 /nfs/dbraw/zinc/24/62/77/469246277.db2.gz DAWZEMUNVYSYAF-UHFFFAOYSA-N 1 0 341.371 2.420 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552024 469290771 /nfs/dbraw/zinc/29/07/71/469290771.db2.gz COJOKRDWQXGQNZ-IMJJTQAJSA-N 1 0 338.429 2.304 10 5 EEBERO Nc1cc(NCC2CC[NH+](CC3CC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000596561431 469301362 /nfs/dbraw/zinc/30/13/62/469301362.db2.gz BCQODIHXLNZYHU-UHFFFAOYSA-N 1 0 334.420 2.203 10 5 EEBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000599626623 469314458 /nfs/dbraw/zinc/31/44/58/469314458.db2.gz XIWYHBUQFRBJRX-JBBSTSQOSA-N 1 0 349.387 2.294 10 5 EEBERO CNC(=O)c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c([N+](=O)[O-])c1 ZINC000608909420 469885522 /nfs/dbraw/zinc/88/55/22/469885522.db2.gz OVKUEJNFQGCWNO-UHFFFAOYSA-N 1 0 338.327 2.279 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000174127619 528968364 /nfs/dbraw/zinc/96/83/64/528968364.db2.gz CEFPSDRXNLGKDB-UHFFFAOYSA-N 1 0 345.403 2.323 10 5 EEBERO CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775053347 577428005 /nfs/dbraw/zinc/42/80/05/577428005.db2.gz VWGFNCDNPKQSID-CQSZACIVSA-N 1 0 339.392 2.133 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)NCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000775543157 577439218 /nfs/dbraw/zinc/43/92/18/577439218.db2.gz UBIGNYWQNPUJPK-MRXNPFEDSA-N 1 0 328.372 2.347 10 5 EEBERO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763901694 577727663 /nfs/dbraw/zinc/72/76/63/577727663.db2.gz MJGFQXMRXXNMFS-ONGXEEELSA-N 1 0 327.768 2.201 10 5 EEBERO Cc1cccc(C2(O)CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000746674133 577932168 /nfs/dbraw/zinc/93/21/68/577932168.db2.gz NVTHVGURRFSZIH-UHFFFAOYSA-N 1 0 344.415 2.392 10 5 EEBERO C[NH+]1CCC(OCC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000923787389 681758993 /nfs/dbraw/zinc/75/89/93/681758993.db2.gz ITEBNTMSWZFBSF-UHFFFAOYSA-N 1 0 344.314 2.027 10 5 EEBERO Cc1cc(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC001267321225 1178752187 /nfs/dbraw/zinc/75/21/87/1178752187.db2.gz BHTLONXNXJOPOJ-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)no1 ZINC001484624319 1191442315 /nfs/dbraw/zinc/44/23/15/1191442315.db2.gz XERXZCDHARHPCA-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO O=C(NC1(C[NH2+]CCC(F)(F)F)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485450159 1191789311 /nfs/dbraw/zinc/78/93/11/1191789311.db2.gz AUXPDIASUKJUAK-GHMZBOCLSA-N 1 0 337.342 2.013 10 5 EEBERO O=C(CC[NH2+][C@@H]1C[C@H]1C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000872243342 1198107141 /nfs/dbraw/zinc/10/71/41/1198107141.db2.gz XGUCTFORHPPITN-DZGCQCFKSA-N 1 0 333.388 2.328 10 5 EEBERO Cn1ncc(C(F)(F)F)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000825903871 1199778190 /nfs/dbraw/zinc/77/81/90/1199778190.db2.gz VANZZEPPHXQEHA-UHFFFAOYSA-N 1 0 343.309 2.312 10 5 EEBERO CCCC[N@H+](C)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000811848794 1200376918 /nfs/dbraw/zinc/37/69/18/1200376918.db2.gz TWMSFQVOKIYKSE-LLVKDONJSA-N 1 0 336.392 2.458 10 5 EEBERO CC(C)[NH+]1CCN(c2ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])cc2)CC1 ZINC000813102136 1201097428 /nfs/dbraw/zinc/09/74/28/1201097428.db2.gz OASDAQVPHTYYGM-CQSZACIVSA-N 1 0 335.404 2.039 10 5 EEBERO Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000869055121 1201930223 /nfs/dbraw/zinc/93/02/23/1201930223.db2.gz QZIALMCOJMKIBW-CABCVRRESA-N 1 0 332.404 2.139 10 5 EEBERO C[C@@H]1[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000928424875 1206381430 /nfs/dbraw/zinc/38/14/30/1206381430.db2.gz FXOOBTFWCPXBLM-QMTHXVAHSA-N 1 0 325.796 2.390 10 5 EEBERO COC[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000929995259 1206527124 /nfs/dbraw/zinc/52/71/24/1206527124.db2.gz ZCVDJQGAWXWEIO-INIZCTEOSA-N 1 0 349.431 2.271 10 5 EEBERO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000930208389 1206541478 /nfs/dbraw/zinc/54/14/78/1206541478.db2.gz OTSAJRJLGMXMSJ-QWHCGFSZSA-N 1 0 335.404 2.271 10 5 EEBERO O=C(CC[NH2+][C@]12C[C@H]1COC21CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000933392471 1207764935 /nfs/dbraw/zinc/76/49/35/1207764935.db2.gz YMBHFHNBQCXOIP-YVEFUNNKSA-N 1 0 331.372 2.225 10 5 EEBERO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000933758274 1207835355 /nfs/dbraw/zinc/83/53/55/1207835355.db2.gz VHOSBODJTDKZIS-GUYCJALGSA-N 1 0 333.388 2.081 10 5 EEBERO O=C(CN[C@@H]1CC[NH2+]C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903466607 1240557551 /nfs/dbraw/zinc/55/75/51/1240557551.db2.gz XBOPRGAYRTYWRZ-CYBMUJFWSA-N 1 0 338.795 2.061 10 5 EEBERO CCS(=O)(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000827580998 1248444953 /nfs/dbraw/zinc/44/49/53/1248444953.db2.gz YUBXWITYFHDQFH-UHFFFAOYSA-N 1 0 332.809 2.305 10 5 EEBERO COc1cccc(C[C@H]2CN(c3nccc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001187931731 1279711255 /nfs/dbraw/zinc/71/12/55/1279711255.db2.gz ORWYMHHAJURQHQ-HNNXBMFYSA-N 1 0 342.399 2.328 10 5 EEBERO C[N@H+](CCCNC(=O)CC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001490170318 1291006839 /nfs/dbraw/zinc/00/68/39/1291006839.db2.gz UUXGHDSEJANDJF-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO C[N@H+](CCCNC(=O)c1cncc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC001490175663 1291010975 /nfs/dbraw/zinc/01/09/75/1291010975.db2.gz IBJHOPPTVYPPTJ-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO O=C(CC[NH2+]C1(CCO)CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852120066 1291999021 /nfs/dbraw/zinc/99/90/21/1291999021.db2.gz MQUFLZGLTASXDO-UHFFFAOYSA-N 1 0 339.367 2.347 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000852866605 1292220812 /nfs/dbraw/zinc/22/08/12/1292220812.db2.gz ZSTOJEUSVCTJRP-UHFFFAOYSA-N 1 0 344.415 2.067 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855165649 1293096080 /nfs/dbraw/zinc/09/60/80/1293096080.db2.gz XRFANYAWXRKVIO-SNVBAGLBSA-N 1 0 349.416 2.202 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855166171 1293098518 /nfs/dbraw/zinc/09/85/18/1293098518.db2.gz DPDXDPGZTIVUEB-NSHDSACASA-N 1 0 336.348 2.106 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000856282796 1293472719 /nfs/dbraw/zinc/47/27/19/1293472719.db2.gz FDLSUYBRFQHVGN-UHFFFAOYSA-N 1 0 338.364 2.353 10 5 EEBERO C[C@@H]1CC[C@@H](NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C[NH2+]1 ZINC000861608920 1295476177 /nfs/dbraw/zinc/47/61/77/1295476177.db2.gz YENJIDNAPBYQNK-MWLCHTKSSA-N 1 0 326.784 2.188 10 5 EEBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843471624 1315920341 /nfs/dbraw/zinc/92/03/41/1315920341.db2.gz XAGPRSSRAIXYBM-QPUJVOFHSA-N 1 0 329.759 2.044 10 5 EEBERO Cc1cc(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c(N)c([N+](=O)[O-])c1 ZINC001261883409 1322193341 /nfs/dbraw/zinc/19/33/41/1322193341.db2.gz JEOSVBTWYLYXQB-UHFFFAOYSA-N 1 0 346.431 2.433 10 5 EEBERO Cc1cc[nH]c1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001264981772 1322830923 /nfs/dbraw/zinc/83/09/23/1322830923.db2.gz RCYNRGCVKFKLMF-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO CN(CCN(C)C(=O)COC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001319976353 1332803829 /nfs/dbraw/zinc/80/38/29/1332803829.db2.gz AIQUKARJWTUQNT-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001347726712 1337519596 /nfs/dbraw/zinc/51/95/96/1337519596.db2.gz CLDRLVYPHKSNDR-MRVWCRGKSA-N 1 0 348.403 2.455 10 5 EEBERO Cc1c[nH]nc1C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001501948601 1342192385 /nfs/dbraw/zinc/19/23/85/1342192385.db2.gz VTDPVHIAEIXQDQ-UHFFFAOYSA-N 1 0 349.416 2.130 10 5 EEBERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001583348998 1344892179 /nfs/dbraw/zinc/89/21/79/1344892179.db2.gz ODGMYYKUJXTCJA-JTQLQIEISA-N 1 0 346.790 2.286 10 5 EEBERO CCCC[N@H+](C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001585666473 1348810880 /nfs/dbraw/zinc/81/08/80/1348810880.db2.gz VYNKHHMUSGYRHZ-UHFFFAOYSA-N 1 0 346.790 2.431 10 5 EEBERO CCCc1n[nH]c(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC001602913909 1350605954 /nfs/dbraw/zinc/60/59/54/1350605954.db2.gz ZMRMGMQHMKUGEO-UHFFFAOYSA-N 1 0 349.435 2.407 10 5 EEBERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001635813331 1352653251 /nfs/dbraw/zinc/65/32/51/1352653251.db2.gz DSLDQMQMRJCVJO-YGRLFVJLSA-N 1 0 337.807 2.390 10 5 EEBERO CC[N@@H+]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)C(C)(C)C1 ZINC001639265905 1352696203 /nfs/dbraw/zinc/69/62/03/1352696203.db2.gz DCQMAOLLVPZAFI-HNNXBMFYSA-N 1 0 335.404 2.129 10 5 EEBERO O=[N+]([O-])c1c(N2CC[NH2+][C@H](c3ccccc3)C2)nc2sccn21 ZINC001643213847 1352743189 /nfs/dbraw/zinc/74/31/89/1352743189.db2.gz OFIKCNVPFMQQFH-LBPRGKRZSA-N 1 0 329.385 2.455 10 5 EEBERO CC1(C)CC[N@H+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC001653552299 1354126632 /nfs/dbraw/zinc/12/66/32/1354126632.db2.gz NVDRJFAHQUZPCM-UHFFFAOYSA-N 1 0 349.416 2.061 10 5 EEBERO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001654797131 1354157872 /nfs/dbraw/zinc/15/78/72/1354157872.db2.gz BNONZLMEVKHRDH-ZDUSSCGKSA-N 1 0 346.431 2.142 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnns1 ZINC001673420970 1356689137 /nfs/dbraw/zinc/68/91/37/1356689137.db2.gz OQMGLDSPECISBT-UHFFFAOYSA-N 1 0 349.416 2.040 10 5 EEBERO CC(C)c1noc(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818987112 785354084 /nfs/dbraw/zinc/35/40/84/785354084.db2.gz SSOZKTLPGYCRFC-CQSZACIVSA-N 1 0 334.376 2.357 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)n1 ZINC000585118021 786498789 /nfs/dbraw/zinc/49/87/89/786498789.db2.gz TWMBFQIHELPCSK-QWHCGFSZSA-N 1 0 334.376 2.061 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000823783349 787936285 /nfs/dbraw/zinc/93/62/85/787936285.db2.gz JBSXEQJRRZZCEC-KGLIPLIRSA-N 1 0 335.379 2.077 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913279724 788739907 /nfs/dbraw/zinc/73/99/07/788739907.db2.gz WKEILXSIAZCHBC-ROUUACIJSA-N 1 0 347.415 2.407 10 5 EEBERO CCO[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000846298974 790123272 /nfs/dbraw/zinc/12/32/72/790123272.db2.gz FGDVCKRXCNMYQS-NOZJJQNGSA-N 1 0 342.783 2.076 10 5 EEBERO Cc1[nH]nc(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)c1[N+](=O)[O-] ZINC001447219570 1102229354 /nfs/dbraw/zinc/22/93/54/1102229354.db2.gz RZMAJRUJASCOJY-UHFFFAOYSA-N 1 0 327.344 2.357 10 5 EEBERO Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1C ZINC001497523838 1102620052 /nfs/dbraw/zinc/62/00/52/1102620052.db2.gz RYIYCAXYLDVJPE-ARJAWSKDSA-N 1 0 342.399 2.318 10 5 EEBERO Cc1nc(C)c(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001497553287 1102657427 /nfs/dbraw/zinc/65/74/27/1102657427.db2.gz WGDNUCQPYNILKL-ARJAWSKDSA-N 1 0 344.371 2.275 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001447750893 1103232130 /nfs/dbraw/zinc/23/21/30/1103232130.db2.gz WEMUEBRVVRUSME-UKRRQHHQSA-N 1 0 347.415 2.305 10 5 EEBERO CCc1ncoc1C(=O)NCC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC001493016064 1107304540 /nfs/dbraw/zinc/30/45/40/1107304540.db2.gz FCJXOZZXBDMRIY-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc[nH]1 ZINC001498656754 1107908544 /nfs/dbraw/zinc/90/85/44/1107908544.db2.gz VRXSCGWIDNQLMV-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CC(C)Oc1cc(C(=O)N[C@H]2C[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC001456172447 1109109862 /nfs/dbraw/zinc/10/98/62/1109109862.db2.gz FCJOVNJKODQDHB-HNNXBMFYSA-N 1 0 335.404 2.452 10 5 EEBERO C[NH+](C)CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccccc1 ZINC001464575370 1110397518 /nfs/dbraw/zinc/39/75/18/1110397518.db2.gz MDQQGRLUYSEQRM-UHFFFAOYSA-N 1 0 337.767 2.180 10 5 EEBERO Cc1c(C[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cccc1[N+](=O)[O-] ZINC001473602459 1110577367 /nfs/dbraw/zinc/57/73/67/1110577367.db2.gz RFYYDQQLOZBTTE-GFCCVEGCSA-N 1 0 330.344 2.094 10 5 EEBERO COCC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001479306257 1110678863 /nfs/dbraw/zinc/67/88/63/1110678863.db2.gz BTCHLWLSLKNABO-GASCZTMLSA-N 1 0 349.431 2.252 10 5 EEBERO O=C(Cc1ccco1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001479330868 1110682052 /nfs/dbraw/zinc/68/20/52/1110682052.db2.gz KHBZFUHKXLXABQ-GASCZTMLSA-N 1 0 343.383 2.415 10 5 EEBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccccc2F)CC1 ZINC001500424408 1112821188 /nfs/dbraw/zinc/82/11/88/1112821188.db2.gz DGPHJOKOPBANSQ-GDBMZVCRSA-N 1 0 349.406 2.209 10 5 EEBERO Cc1c[nH]c(C(=O)NCC2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)n1 ZINC001502007097 1113555945 /nfs/dbraw/zinc/55/59/45/1113555945.db2.gz NTKVVGMXXMACDI-UHFFFAOYSA-N 1 0 349.416 2.130 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC001520867978 1119199320 /nfs/dbraw/zinc/19/93/20/1119199320.db2.gz OPGXNSPOKBOWSP-NORZTCDRSA-N 1 0 349.406 2.468 10 5 EEBERO C[C@H]1CCC[C@@](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)([NH+](C)C)C1 ZINC001542224125 1124111765 /nfs/dbraw/zinc/11/17/65/1124111765.db2.gz YDWZFKHSHMLOKG-LKFCYVNXSA-N 1 0 343.815 2.212 10 5 EEBERO C[NH+]1CCC(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC001542680926 1124115404 /nfs/dbraw/zinc/11/54/04/1124115404.db2.gz NFMOQDIDRLMWGS-UHFFFAOYSA-N 1 0 344.774 2.041 10 5 EEBERO C[NH+](C)C(C)(C)CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000040411594 213300811 /nfs/dbraw/zinc/30/08/11/213300811.db2.gz FFZKYWXFWFZPRQ-UHFFFAOYSA-N 1 0 344.209 2.427 10 5 EEBERO Cc1nccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000183787950 235225876 /nfs/dbraw/zinc/22/58/76/235225876.db2.gz FNTQAVGOQYMOOZ-UHFFFAOYSA-N 1 0 327.388 2.058 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2(C[NH3+])CCCC2)c1 ZINC000193275803 240085652 /nfs/dbraw/zinc/08/56/52/240085652.db2.gz XYPLIMLHSCPSSD-UHFFFAOYSA-N 1 0 347.824 2.106 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136900121 223670469 /nfs/dbraw/zinc/67/04/69/223670469.db2.gz BWWKUCQLQXRGEX-AWEZNQCLSA-N 1 0 347.415 2.134 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000245661658 160246823 /nfs/dbraw/zinc/24/68/23/160246823.db2.gz PWFLPVINDPAUDQ-WFASDCNBSA-N 1 0 342.399 2.314 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246784121 160294591 /nfs/dbraw/zinc/29/45/91/160294591.db2.gz ZKNXSNUBVSHAOY-KBPBESRZSA-N 1 0 332.404 2.010 10 5 EEBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCN(CC(F)(F)F)CC1 ZINC000339160329 160832718 /nfs/dbraw/zinc/83/27/18/160832718.db2.gz RFHSRGXHCFBWEK-NSHDSACASA-N 1 0 349.357 2.044 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000342459032 161066812 /nfs/dbraw/zinc/06/68/12/161066812.db2.gz BWQAXYYTJQQBSN-SMDDNHRTSA-N 1 0 333.388 2.206 10 5 EEBERO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000122971512 222193427 /nfs/dbraw/zinc/19/34/27/222193427.db2.gz WDDCCAMVCMAYDL-AWEZNQCLSA-N 1 0 343.387 2.102 10 5 EEBERO COCC[N@@H+]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413056947 274027281 /nfs/dbraw/zinc/02/72/81/274027281.db2.gz DVAVUJGKDBFQSM-UHFFFAOYSA-N 1 0 330.388 2.302 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585974 275130054 /nfs/dbraw/zinc/13/00/54/275130054.db2.gz ZGSBWUSTWGUSKD-VXGBXAGGSA-N 1 0 331.376 2.255 10 5 EEBERO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC)CC1 ZINC000290963854 275256130 /nfs/dbraw/zinc/25/61/30/275256130.db2.gz IAEHDDDFRYEXAI-UHFFFAOYSA-N 1 0 330.392 2.015 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000294739580 293532223 /nfs/dbraw/zinc/53/22/23/293532223.db2.gz XYYMMROIUOMNFL-OAHLLOKOSA-N 1 0 333.388 2.110 10 5 EEBERO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551470 294385196 /nfs/dbraw/zinc/38/51/96/294385196.db2.gz ICQZHWRXZPGWKR-INIZCTEOSA-N 1 0 330.388 2.322 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423047681 304799447 /nfs/dbraw/zinc/79/94/47/304799447.db2.gz VIYJTMJTYDJURW-CVEARBPZSA-N 1 0 339.823 2.147 10 5 EEBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415583468 313148477 /nfs/dbraw/zinc/14/84/77/313148477.db2.gz RDPSXXWCELMASE-GFCCVEGCSA-N 1 0 328.319 2.330 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000417844013 313615991 /nfs/dbraw/zinc/61/59/91/313615991.db2.gz HHGAFNWIGNPCMH-MFKMUULPSA-N 1 0 342.346 2.261 10 5 EEBERO CC(C)[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](O)CO ZINC000421402200 314097502 /nfs/dbraw/zinc/09/75/02/314097502.db2.gz DGJLAMXOWWUZOX-OAHLLOKOSA-N 1 0 334.372 2.418 10 5 EEBERO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1(C)C ZINC000444803973 315325954 /nfs/dbraw/zinc/32/59/54/315325954.db2.gz ONXRUXHMDVQMSM-NVXWUHKLSA-N 1 0 338.404 2.259 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000522002414 316945664 /nfs/dbraw/zinc/94/56/64/316945664.db2.gz VFAVTTKANNXMFV-QGZVFWFLSA-N 1 0 341.367 2.058 10 5 EEBERO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000564808789 319112141 /nfs/dbraw/zinc/11/21/41/319112141.db2.gz CEGFPNQZEUKMSC-HZPDHXFCSA-N 1 0 349.431 2.336 10 5 EEBERO CN(C(=O)NCCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341238590 465070487 /nfs/dbraw/zinc/07/04/87/465070487.db2.gz AILGSFZBIUGTSD-OAHLLOKOSA-N 1 0 332.404 2.015 10 5 EEBERO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000049128863 462956173 /nfs/dbraw/zinc/95/61/73/462956173.db2.gz BUGMEJDEDWARND-SCZZXKLOSA-N 1 0 330.797 2.218 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(Cc3ccccc3F)CC2)c1 ZINC000095963072 463116158 /nfs/dbraw/zinc/11/61/58/463116158.db2.gz BGRFIJPIRQRCDA-UHFFFAOYSA-N 1 0 347.394 2.138 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079855308 463254405 /nfs/dbraw/zinc/25/44/05/463254405.db2.gz NKGBWOZCSNQDKF-JTQLQIEISA-N 1 0 342.193 2.181 10 5 EEBERO CNc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000071792536 463425902 /nfs/dbraw/zinc/42/59/02/463425902.db2.gz JENLHWBHZBHTJC-AWEZNQCLSA-N 1 0 342.403 2.185 10 5 EEBERO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000283072755 463753950 /nfs/dbraw/zinc/75/39/50/463753950.db2.gz GYMYMBAYMLSERO-OAHLLOKOSA-N 1 0 342.403 2.065 10 5 EEBERO C[NH2+]C(C)(C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000269965518 464141419 /nfs/dbraw/zinc/14/14/19/464141419.db2.gz MYAIJXHVUYCJOD-UHFFFAOYSA-N 1 0 337.348 2.001 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000174393004 464402548 /nfs/dbraw/zinc/40/25/48/464402548.db2.gz WDXMVFHEFMCTDG-GDBMZVCRSA-N 1 0 332.404 2.363 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181543966 464503161 /nfs/dbraw/zinc/50/31/61/464503161.db2.gz SJJOQXIIMPGJTA-OAHLLOKOSA-N 1 0 348.403 2.404 10 5 EEBERO CC(C)(C(=O)NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000265804747 464693515 /nfs/dbraw/zinc/69/35/15/464693515.db2.gz OFUAVYXNKRULAU-UHFFFAOYSA-N 1 0 349.431 2.101 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266746622 464808039 /nfs/dbraw/zinc/80/80/39/464808039.db2.gz GCQLBDLZONTYTQ-HIFRSBDPSA-N 1 0 334.420 2.261 10 5 EEBERO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000183288617 464843644 /nfs/dbraw/zinc/84/36/44/464843644.db2.gz CIEYWWWWLTWMOA-LLVKDONJSA-N 1 0 347.462 2.199 10 5 EEBERO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344607889 465717564 /nfs/dbraw/zinc/71/75/64/465717564.db2.gz VMXNWRKRSNCMGD-CQSZACIVSA-N 1 0 342.403 2.007 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](O)C(F)(F)F ZINC000349302525 466058894 /nfs/dbraw/zinc/05/88/94/466058894.db2.gz XNXVQIHEMRHRSM-CABZTGNLSA-N 1 0 349.309 2.215 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000372762399 466577165 /nfs/dbraw/zinc/57/71/65/466577165.db2.gz PHWXKYAGYAWDSV-BLLLJJGKSA-N 1 0 330.388 2.079 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417728880 466918848 /nfs/dbraw/zinc/91/88/48/466918848.db2.gz PUOHPWSZSCMKLH-CJNGLKHVSA-N 1 0 334.420 2.215 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000417859401 466959347 /nfs/dbraw/zinc/95/93/47/466959347.db2.gz WDONMNHSLPJODN-QEJZJMRPSA-N 1 0 332.404 2.358 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420380201 467386763 /nfs/dbraw/zinc/38/67/63/467386763.db2.gz RJDFKSASSQQTCW-QGZVFWFLSA-N 1 0 343.387 2.220 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000414651161 467425895 /nfs/dbraw/zinc/42/58/95/467425895.db2.gz FICMRVDMRHQXMQ-MRXNPFEDSA-N 1 0 334.376 2.211 10 5 EEBERO COC[C@](C)(O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449386842 467634945 /nfs/dbraw/zinc/63/49/45/467634945.db2.gz VKWKPWMKFDARTA-CQSZACIVSA-N 1 0 334.319 2.073 10 5 EEBERO Cc1c(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000516145816 468014180 /nfs/dbraw/zinc/01/41/80/468014180.db2.gz ZKXHQGXXCHNVIY-UHFFFAOYSA-N 1 0 331.376 2.097 10 5 EEBERO CCC[C@]1(CO)CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589517093 468159908 /nfs/dbraw/zinc/15/99/08/468159908.db2.gz UXBDXGYELDLLNE-KRWDZBQOSA-N 1 0 336.388 2.366 10 5 EEBERO CCc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590399902 468247020 /nfs/dbraw/zinc/24/70/20/468247020.db2.gz FDHRCRLSCCODFQ-DOTOQJQBSA-N 1 0 347.415 2.092 10 5 EEBERO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592154341 468641500 /nfs/dbraw/zinc/64/15/00/468641500.db2.gz QDCBOIHFJBZXRL-CWRNSKLLSA-N 1 0 336.436 2.300 10 5 EEBERO CN(C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478423 468706340 /nfs/dbraw/zinc/70/63/40/468706340.db2.gz BBSVTPQSSLIUBU-WMLDXEAASA-N 1 0 346.431 2.022 10 5 EEBERO CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597946278 468721210 /nfs/dbraw/zinc/72/12/10/468721210.db2.gz NDFDVBMWBWKELF-NSHDSACASA-N 1 0 343.330 2.362 10 5 EEBERO CC1CC[NH+](CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601104908 468742551 /nfs/dbraw/zinc/74/25/51/468742551.db2.gz LWIDXSAFOVLENO-UHFFFAOYSA-N 1 0 335.330 2.491 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCO[C@H]1CC1(F)F ZINC000595069656 468751627 /nfs/dbraw/zinc/75/16/27/468751627.db2.gz POEAGSVXOBXJNS-GWCFXTLKSA-N 1 0 343.330 2.326 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1nccn1C ZINC000595110005 468761133 /nfs/dbraw/zinc/76/11/33/468761133.db2.gz YPCLNBDELWWGKA-VXGBXAGGSA-N 1 0 331.376 2.396 10 5 EEBERO C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1CCO ZINC000601175870 468771717 /nfs/dbraw/zinc/77/17/17/468771717.db2.gz RCBQNSPCFURTSG-OLZOCXBDSA-N 1 0 330.388 2.034 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226222 468788710 /nfs/dbraw/zinc/78/87/10/468788710.db2.gz RPMBKXDZMQOKCN-BBRMVZONSA-N 1 0 332.404 2.293 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000601334953 468830629 /nfs/dbraw/zinc/83/06/29/468830629.db2.gz OZALQWJWKTVKMI-ZFWWWQNUSA-N 1 0 343.387 2.219 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2CCC(CO)CC2)c1 ZINC000593021934 468842169 /nfs/dbraw/zinc/84/21/69/468842169.db2.gz BANRPGMDGOWWEM-UHFFFAOYSA-N 1 0 336.388 2.364 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC([C@H](C)CO)CC2)c1 ZINC000593085099 468864951 /nfs/dbraw/zinc/86/49/51/468864951.db2.gz VNIKVIJSVRNYIG-GFCCVEGCSA-N 1 0 336.388 2.222 10 5 EEBERO COc1ccc(CC(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593204195 468904087 /nfs/dbraw/zinc/90/40/87/468904087.db2.gz MEHHTNSWKVWIMB-UHFFFAOYSA-N 1 0 337.420 2.240 10 5 EEBERO C[N@H+]1C[C@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@H]2C1 ZINC000601542261 468912647 /nfs/dbraw/zinc/91/26/47/468912647.db2.gz ZZASXWQDVSJXCC-OKILXGFUSA-N 1 0 329.400 2.037 10 5 EEBERO C[N@H+](CCCO)C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593461091 468989612 /nfs/dbraw/zinc/98/96/12/468989612.db2.gz HJNJKCKSKFUDQM-UHFFFAOYSA-N 1 0 344.415 2.426 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595761471 468994265 /nfs/dbraw/zinc/99/42/65/468994265.db2.gz WYQPWWHEEXWBTF-DYVFJYSZSA-N 1 0 333.388 2.200 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598914039 469048189 /nfs/dbraw/zinc/04/81/89/469048189.db2.gz WDWPZQUUHLGGPF-KCXAZCMYSA-N 1 0 348.403 2.488 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000598914108 469048500 /nfs/dbraw/zinc/04/85/00/469048500.db2.gz YIFLYBQMKWERGR-DAXOMENPSA-N 1 0 348.403 2.488 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595981433 469106600 /nfs/dbraw/zinc/10/66/00/469106600.db2.gz ORKBXZCCXQMRTJ-OAHLLOKOSA-N 1 0 348.447 2.301 10 5 EEBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1C ZINC000599080694 469110438 /nfs/dbraw/zinc/11/04/38/469110438.db2.gz QAODGFUMMMGDGS-ZIAGYGMSSA-N 1 0 339.461 2.386 10 5 EEBERO COC(=O)c1c(Cl)c(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1[N+](=O)[O-] ZINC000599083103 469110550 /nfs/dbraw/zinc/11/05/50/469110550.db2.gz HHJOPGFRTSXSCD-QRJZZWFUSA-N 1 0 339.779 2.031 10 5 EEBERO CC(C)c1[nH]nc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000610921733 469111785 /nfs/dbraw/zinc/11/17/85/469111785.db2.gz MVRHFEVRDRUKSW-UHFFFAOYSA-N 1 0 341.331 2.274 10 5 EEBERO COC(=O)c1c(Cl)c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596214256 469205918 /nfs/dbraw/zinc/20/59/18/469205918.db2.gz QYDJDZLZCPCSQF-AOOOYVTPSA-N 1 0 339.779 2.033 10 5 EEBERO CC[C@@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000611403267 469242188 /nfs/dbraw/zinc/24/21/88/469242188.db2.gz FKMCIEJENASEPH-SWLSCSKDSA-N 1 0 326.418 2.460 10 5 EEBERO CNc1c(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000603142759 469279927 /nfs/dbraw/zinc/27/99/27/469279927.db2.gz OHDSMXDMJDIGML-AWEZNQCLSA-N 1 0 334.420 2.439 10 5 EEBERO COc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000596568237 469303286 /nfs/dbraw/zinc/30/32/86/469303286.db2.gz RELKCUUKKQWPGH-LBPRGKRZSA-N 1 0 341.383 2.290 10 5 EEBERO CC1(C)CCC[C@@](CO)([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599596314 469303935 /nfs/dbraw/zinc/30/39/35/469303935.db2.gz RFWWULWWMWEJCC-QGZVFWFLSA-N 1 0 335.404 2.115 10 5 EEBERO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000602594508 469377133 /nfs/dbraw/zinc/37/71/33/469377133.db2.gz QLDIBYCOKSJLLG-SCZZXKLOSA-N 1 0 342.193 2.024 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608908340 469885775 /nfs/dbraw/zinc/88/57/75/469885775.db2.gz YCGGPQMXOMSILD-UHFFFAOYSA-N 1 0 338.327 2.226 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000765850691 577508236 /nfs/dbraw/zinc/50/82/36/577508236.db2.gz ZSSFKQOJOBGPKV-KRWDZBQOSA-N 1 0 342.399 2.282 10 5 EEBERO O=[N+]([O-])c1ccc(-c2cnn(CN3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000103458240 683255055 /nfs/dbraw/zinc/25/50/55/683255055.db2.gz HUISIAXPVNANCE-UHFFFAOYSA-N 1 0 327.388 2.196 10 5 EEBERO C[NH+]1CCC(OCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000923790536 683716014 /nfs/dbraw/zinc/71/60/14/683716014.db2.gz YDIHBHWRVIOJRF-UHFFFAOYSA-N 1 0 342.779 2.402 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897634361 691716046 /nfs/dbraw/zinc/71/60/46/691716046.db2.gz IERNEQVHQISESR-CQSZACIVSA-N 1 0 337.420 2.034 10 5 EEBERO CC[N@H+](CCNC(=O)c1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266371669 1176438746 /nfs/dbraw/zinc/43/87/46/1176438746.db2.gz GOBNGKNJZUWVBN-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO CC(=O)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266667439 1177100704 /nfs/dbraw/zinc/10/07/04/1177100704.db2.gz AQEMNACZZZBJLU-GASCZTMLSA-N 1 0 333.388 2.091 10 5 EEBERO C[N@H+](CCNC(=O)C1(C(F)(F)F)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480915507 1178176640 /nfs/dbraw/zinc/17/66/40/1178176640.db2.gz BMKVMQUYCVELTB-UHFFFAOYSA-N 1 0 345.321 2.485 10 5 EEBERO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)n1C ZINC001267229947 1178550013 /nfs/dbraw/zinc/55/00/13/1178550013.db2.gz WTHYILXBBIIOJP-UHFFFAOYSA-N 1 0 344.415 2.412 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC1CCOCC1 ZINC001481287038 1180863267 /nfs/dbraw/zinc/86/32/67/1180863267.db2.gz RVWNGRPMNVVBCL-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO Cc1[nH]nc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001268232821 1182049745 /nfs/dbraw/zinc/04/97/45/1182049745.db2.gz LOPHPHVYOJYUGH-UHFFFAOYSA-N 1 0 345.403 2.139 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn(C)c1 ZINC001268786293 1183700236 /nfs/dbraw/zinc/70/02/36/1183700236.db2.gz RGNVKPBMVXWSKM-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO [NH3+][C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[C@@H]1C(F)(F)F ZINC000905720557 1189887990 /nfs/dbraw/zinc/88/79/90/1189887990.db2.gz DUGIVLLGXACXRX-YUMQZZPRSA-N 1 0 347.322 2.315 10 5 EEBERO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C=C1CCCCC1 ZINC001483454892 1190483963 /nfs/dbraw/zinc/48/39/63/1190483963.db2.gz ADPQPXYXGRVIIX-UHFFFAOYSA-N 1 0 349.435 2.157 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccncc1 ZINC001273237513 1197641863 /nfs/dbraw/zinc/64/18/63/1197641863.db2.gz PSOIBBJXCGZOIN-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031980 1198030514 /nfs/dbraw/zinc/03/05/14/1198030514.db2.gz OQUJEWCYJJIQLA-QWHCGFSZSA-N 1 0 325.384 2.495 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866205081 1201463856 /nfs/dbraw/zinc/46/38/56/1201463856.db2.gz JVENLLBLMJJTJD-ONGXEEELSA-N 1 0 341.209 2.283 10 5 EEBERO COCCC1(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000868043368 1201733297 /nfs/dbraw/zinc/73/32/97/1201733297.db2.gz FJVPUXJTLMDWSG-UHFFFAOYSA-N 1 0 341.795 2.137 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)cc1 ZINC000926150445 1206198885 /nfs/dbraw/zinc/19/88/85/1206198885.db2.gz KFNYAJUPWNHNFB-ZENOOKHLSA-N 1 0 336.413 2.313 10 5 EEBERO O=C(N[C@@H]1CCCN(CC[N+](=O)[O-])C1)c1ccc2ccccc2c1 ZINC000930026488 1206529751 /nfs/dbraw/zinc/52/97/51/1206529751.db2.gz HDMHCLCTONETAC-QGZVFWFLSA-N 1 0 327.384 2.311 10 5 EEBERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246233197 1212094197 /nfs/dbraw/zinc/09/41/97/1212094197.db2.gz GMWZKKGEDUMXBT-UKRRQHHQSA-N 1 0 336.388 2.292 10 5 EEBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1F ZINC000827280639 1239193889 /nfs/dbraw/zinc/19/38/89/1239193889.db2.gz GNPBKQKVHJMQRK-LLVKDONJSA-N 1 0 339.342 2.490 10 5 EEBERO CCN(CCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC001267242434 1276669182 /nfs/dbraw/zinc/66/91/82/1276669182.db2.gz KVUGZNIHIHTYQR-UHFFFAOYSA-N 1 0 348.447 2.017 10 5 EEBERO COc1cccc(C[C@H]2CN(c3nc(C)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001187932246 1279710635 /nfs/dbraw/zinc/71/06/35/1279710635.db2.gz SNEAVBHXZDPQRQ-HNNXBMFYSA-N 1 0 342.399 2.328 10 5 EEBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000852561453 1292134887 /nfs/dbraw/zinc/13/48/87/1292134887.db2.gz OEHVOCIOCZWMDF-CGTJXYLNSA-N 1 0 344.415 2.363 10 5 EEBERO Nc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000852839587 1292212026 /nfs/dbraw/zinc/21/20/26/1292212026.db2.gz IUHSRCMAVSMDMD-CQSZACIVSA-N 1 0 332.404 2.029 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000853657822 1292434153 /nfs/dbraw/zinc/43/41/53/1292434153.db2.gz XTHGUCBHWZXFGF-UHFFFAOYSA-N 1 0 341.383 2.072 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000856283037 1293472459 /nfs/dbraw/zinc/47/24/59/1293472459.db2.gz LQJVCFAUVQDUHQ-UHFFFAOYSA-N 1 0 341.383 2.349 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926942440 1296965029 /nfs/dbraw/zinc/96/50/29/1296965029.db2.gz OSZDTMVXSYNEGW-ZJOBFFGXSA-N 1 0 345.399 2.493 10 5 EEBERO O=C1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CN1 ZINC000926985302 1296979384 /nfs/dbraw/zinc/97/93/84/1296979384.db2.gz JSFZYTNJUAKXAI-LZWOXQAQSA-N 1 0 331.416 2.422 10 5 EEBERO CC[NH+](CC)Cc1ccc(-c2nnc(-c3nn(C)cc3[N+](=O)[O-])o2)o1 ZINC001118068206 1306266374 /nfs/dbraw/zinc/26/63/74/1306266374.db2.gz LYNOMOQTCWZIMY-UHFFFAOYSA-N 1 0 346.347 2.480 10 5 EEBERO O=C(OC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001123347846 1310532615 /nfs/dbraw/zinc/53/26/15/1310532615.db2.gz WFJXRUGHZKXOTL-CQSZACIVSA-N 1 0 338.335 2.144 10 5 EEBERO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001139345862 1314733939 /nfs/dbraw/zinc/73/39/39/1314733939.db2.gz FLKROXZJAINZQW-NHYWBVRUSA-N 1 0 343.387 2.104 10 5 EEBERO Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@H](C)[NH+](C)C ZINC001304834020 1331400022 /nfs/dbraw/zinc/40/00/22/1331400022.db2.gz ZKGNLFCAKCMARO-LBPRGKRZSA-N 1 0 344.419 2.008 10 5 EEBERO Cc1cncc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001317441120 1332242979 /nfs/dbraw/zinc/24/29/79/1332242979.db2.gz AUNDWRJHJMASDF-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CN(C)Cc3ccccc32)n1 ZINC001435798370 1342000198 /nfs/dbraw/zinc/00/01/98/1342000198.db2.gz UJFHRCVUSNMCMO-MRXNPFEDSA-N 1 0 326.356 2.215 10 5 EEBERO Cc1cncc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001569395107 1342863687 /nfs/dbraw/zinc/86/36/87/1342863687.db2.gz CNUNNYXFLXJBHJ-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO CC[C@@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC001679150674 1357629559 /nfs/dbraw/zinc/62/95/59/1357629559.db2.gz GSIPIXCXNZSMCQ-FVQBIDKESA-N 1 0 332.404 2.391 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC001654762259 1354157350 /nfs/dbraw/zinc/15/73/50/1354157350.db2.gz FJSJBFGZWDUZCW-LSDHHAIUSA-N 1 0 333.388 2.050 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC001655190354 1354166764 /nfs/dbraw/zinc/16/67/64/1354166764.db2.gz OYQMYPHXPZHCAC-UHFFFAOYSA-N 1 0 331.376 2.107 10 5 EEBERO COC(=O)C[C@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC001659860971 1354388476 /nfs/dbraw/zinc/38/84/76/1354388476.db2.gz GVOXHOXZNKYYFV-KRWDZBQOSA-N 1 0 349.387 2.245 10 5 EEBERO CCOCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001698793701 1405070863 /nfs/dbraw/zinc/07/08/63/1405070863.db2.gz LLNNJAMFMBGJMI-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO CC1(C)CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000906897159 784244862 /nfs/dbraw/zinc/24/48/62/784244862.db2.gz WKIAREHAHMRWCC-UHFFFAOYSA-N 1 0 325.796 2.391 10 5 EEBERO C[NH+](C)CC1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000908534884 785499285 /nfs/dbraw/zinc/49/92/85/785499285.db2.gz WGNSQBXXCGPSJL-UHFFFAOYSA-N 1 0 325.796 2.201 10 5 EEBERO Nc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000823997694 788012733 /nfs/dbraw/zinc/01/27/33/788012733.db2.gz GQQNNSHIYYGDIH-ZDUSSCGKSA-N 1 0 333.392 2.269 10 5 EEBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC([NH+]2CCC2)CC1 ZINC000912879450 788441516 /nfs/dbraw/zinc/44/15/16/788441516.db2.gz BGKVMWKOJWFKSO-UHFFFAOYSA-N 1 0 328.372 2.386 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912923832 788499321 /nfs/dbraw/zinc/49/93/21/788499321.db2.gz KOAWZGWDEWXPMD-OAHLLOKOSA-N 1 0 344.415 2.115 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913273307 788747792 /nfs/dbraw/zinc/74/77/92/788747792.db2.gz DHUMEIPGYAJLLV-IRXDYDNUSA-N 1 0 335.379 2.077 10 5 EEBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913273062 788748304 /nfs/dbraw/zinc/74/83/04/788748304.db2.gz CKDQNLZVWPGDFU-IAGOWNOFSA-N 1 0 335.379 2.456 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913292587 788769944 /nfs/dbraw/zinc/76/99/44/788769944.db2.gz ANNRZCQRDUZPLN-HDICACEKSA-N 1 0 346.431 2.075 10 5 EEBERO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001171609003 796657913 /nfs/dbraw/zinc/65/79/13/796657913.db2.gz OCPNFGZOYMJOEB-ZDUSSCGKSA-N 1 0 335.408 2.045 10 5 EEBERO C[C@@](CO)([NH2+]Cc1ccc2nonc2c1)c1cccc([N+](=O)[O-])c1 ZINC001175322738 798075934 /nfs/dbraw/zinc/07/59/34/798075934.db2.gz DQNDBPZNTXDNTJ-INIZCTEOSA-N 1 0 328.328 2.128 10 5 EEBERO C[NH+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001150981448 800609290 /nfs/dbraw/zinc/60/92/90/800609290.db2.gz BMRQWGFJKSRJDB-UHFFFAOYSA-N 1 0 334.420 2.371 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)n1 ZINC001183509087 801632200 /nfs/dbraw/zinc/63/22/00/801632200.db2.gz PVDXFOFVLGTQFI-CYBMUJFWSA-N 1 0 329.360 2.130 10 5 EEBERO CC(C)OCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001480127824 1099692792 /nfs/dbraw/zinc/69/27/92/1099692792.db2.gz PPFLHQJNMSBGHV-SHTZXODSSA-N 1 0 335.404 2.147 10 5 EEBERO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C=C1CCCCC1 ZINC001497362073 1102383751 /nfs/dbraw/zinc/38/37/51/1102383751.db2.gz WYMFCTASYYCKPS-UHFFFAOYSA-N 1 0 349.435 2.157 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn(C)c1 ZINC001498533348 1107684151 /nfs/dbraw/zinc/68/41/51/1107684151.db2.gz TWOIPTADMNOECE-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO C[C@H](O)CN(C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001459527253 1110209533 /nfs/dbraw/zinc/20/95/33/1110209533.db2.gz XDMWWFKOFQEEOH-QMMMGPOBSA-N 1 0 326.740 2.111 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+]C2(CO)CCCCC2)o1 ZINC001473294109 1110573828 /nfs/dbraw/zinc/57/38/28/1110573828.db2.gz GUVXYYQWBZDWEX-UHFFFAOYSA-N 1 0 332.360 2.430 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1n[nH]cc1F ZINC001502371741 1113649743 /nfs/dbraw/zinc/64/97/43/1113649743.db2.gz XEVHKNIDVFDYDU-UHFFFAOYSA-N 1 0 349.366 2.051 10 5 EEBERO C[C@@H]1CCC[C@@](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)([NH+](C)C)C1 ZINC001542224128 1124111819 /nfs/dbraw/zinc/11/18/19/1124111819.db2.gz YDWZFKHSHMLOKG-YMTOWFKASA-N 1 0 343.815 2.212 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647082 214247697 /nfs/dbraw/zinc/24/76/97/214247697.db2.gz QOYSQAYIDXMZON-AWEZNQCLSA-N 1 0 334.420 2.311 10 5 EEBERO CC[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181536004 529586662 /nfs/dbraw/zinc/58/66/62/529586662.db2.gz NAMSETHYRMSLHS-IOASZLSFSA-N 1 0 335.404 2.271 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000129130383 223025430 /nfs/dbraw/zinc/02/54/30/223025430.db2.gz KIFGFWCCGKRQEM-ZDUSSCGKSA-N 1 0 340.383 2.453 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117805105 221090901 /nfs/dbraw/zinc/09/09/01/221090901.db2.gz UEXDVOPUVHJHAI-BXUZGUMPSA-N 1 0 337.807 2.486 10 5 EEBERO C[NH+](C)C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000127991035 292334035 /nfs/dbraw/zinc/33/40/35/292334035.db2.gz HGDXAUNSWWXWPX-UHFFFAOYSA-N 1 0 331.376 2.171 10 5 EEBERO C[NH+](C)CC1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130280205 292370859 /nfs/dbraw/zinc/37/08/59/292370859.db2.gz DGZSFZUHCNMJOL-UHFFFAOYSA-N 1 0 335.404 2.210 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000246854303 160297710 /nfs/dbraw/zinc/29/77/10/160297710.db2.gz CPEVSVIJHPCWFK-ZFWWWQNUSA-N 1 0 333.388 2.059 10 5 EEBERO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341967253 161028013 /nfs/dbraw/zinc/02/80/13/161028013.db2.gz ZJZOWHIGILOMSA-JTQLQIEISA-N 1 0 335.451 2.055 10 5 EEBERO C[C@H]1C[NH+](CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000277367236 269151097 /nfs/dbraw/zinc/15/10/97/269151097.db2.gz BNFQOCGXJVLSSL-RYUDHWBXSA-N 1 0 333.392 2.382 10 5 EEBERO O=C1[C@H]([N@@H+]2CC[C@]3(C2)CCCOC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000341996945 275030331 /nfs/dbraw/zinc/03/03/31/275030331.db2.gz TXRPRLMNUKCDAE-AEFFLSMTSA-N 1 0 345.399 2.203 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000107894118 276212482 /nfs/dbraw/zinc/21/24/82/276212482.db2.gz OKMVQEUACBQQGO-AWEZNQCLSA-N 1 0 346.431 2.267 10 5 EEBERO C[NH2+][C@@H](C)CNC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000261836326 277038747 /nfs/dbraw/zinc/03/87/47/277038747.db2.gz VUBUCGUDZXWYNK-OLZOCXBDSA-N 1 0 334.420 2.169 10 5 EEBERO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415658636 313163468 /nfs/dbraw/zinc/16/34/68/313163468.db2.gz NOMRNGOPJBPAPJ-SECBINFHSA-N 1 0 343.181 2.149 10 5 EEBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418420534 313808030 /nfs/dbraw/zinc/80/80/30/313808030.db2.gz BEQIOQUNLNAEFB-INIZCTEOSA-N 1 0 342.399 2.479 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000437835161 315054132 /nfs/dbraw/zinc/05/41/32/315054132.db2.gz AKONDXKPBQUXII-AWEZNQCLSA-N 1 0 349.435 2.338 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000441273925 315177421 /nfs/dbraw/zinc/17/74/21/315177421.db2.gz DXTUUGORQYGYEA-HUUCEWRRSA-N 1 0 347.415 2.306 10 5 EEBERO C[NH+](C)CC1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000533544068 317918282 /nfs/dbraw/zinc/91/82/82/317918282.db2.gz QJOOYBUYTXPPSY-UHFFFAOYSA-N 1 0 349.387 2.174 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576867330 320211038 /nfs/dbraw/zinc/21/10/38/320211038.db2.gz ZXMCYWIXWDKUQQ-CQSZACIVSA-N 1 0 336.436 2.373 10 5 EEBERO COc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000578304415 320305867 /nfs/dbraw/zinc/30/58/67/320305867.db2.gz KARMJYPHPZHPBS-INIZCTEOSA-N 1 0 334.376 2.211 10 5 EEBERO Cc1csc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000184136938 323420255 /nfs/dbraw/zinc/42/02/55/323420255.db2.gz NTACHYLEHHUAFD-WCQYABFASA-N 1 0 337.401 2.450 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000326321063 465037763 /nfs/dbraw/zinc/03/77/63/465037763.db2.gz XXOFBZYLFUHYSJ-AWEZNQCLSA-N 1 0 333.388 2.446 10 5 EEBERO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000358288104 465040083 /nfs/dbraw/zinc/04/00/83/465040083.db2.gz ISXFKQVTSKEAII-UHFFFAOYSA-N 1 0 348.384 2.022 10 5 EEBERO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919293 462554018 /nfs/dbraw/zinc/55/40/18/462554018.db2.gz DDMWFKCQESYJMG-UHFFFAOYSA-N 1 0 347.415 2.308 10 5 EEBERO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000076190792 462820256 /nfs/dbraw/zinc/82/02/56/462820256.db2.gz RRAMGBMOVTZGKE-CYBMUJFWSA-N 1 0 341.433 2.056 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000160086531 463318705 /nfs/dbraw/zinc/31/87/05/463318705.db2.gz LUIXROCPHKAOFG-UHFFFAOYSA-N 1 0 349.435 2.218 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069843416 463336376 /nfs/dbraw/zinc/33/63/76/463336376.db2.gz DZJNXNLGSQQXCB-SWLSCSKDSA-N 1 0 344.415 2.478 10 5 EEBERO Cc1sc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032270733 463369470 /nfs/dbraw/zinc/36/94/70/463369470.db2.gz PFELCSLACVZVOH-LBPRGKRZSA-N 1 0 341.433 2.051 10 5 EEBERO CC[C@@H]([NH2+]CCn1nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000161657791 463446630 /nfs/dbraw/zinc/44/66/30/463446630.db2.gz POONTSBMUORTJH-OAHLLOKOSA-N 1 0 341.371 2.145 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000194737537 463919441 /nfs/dbraw/zinc/91/94/41/463919441.db2.gz ISDSMXNZEMPYGT-AWEZNQCLSA-N 1 0 332.404 2.019 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000173266419 464224310 /nfs/dbraw/zinc/22/43/10/464224310.db2.gz TXMOEMWMLXYFCX-CHWSQXEVSA-N 1 0 341.433 2.006 10 5 EEBERO COc1cc(C[NH2+]C2(CO)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000351923514 465445314 /nfs/dbraw/zinc/44/53/14/465445314.db2.gz XDKGRWIZAXNGHQ-UHFFFAOYSA-N 1 0 328.368 2.223 10 5 EEBERO C[C@H](C[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237608604 464348543 /nfs/dbraw/zinc/34/85/43/464348543.db2.gz VZXWMRHKSPYJIX-XWIAVFTESA-N 1 0 330.384 2.382 10 5 EEBERO COC(=O)/C=C/c1ccc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000271762080 464374755 /nfs/dbraw/zinc/37/47/55/464374755.db2.gz DWKZGSCBKQGKBX-GQCTYLIASA-N 1 0 331.372 2.455 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000247126979 464652770 /nfs/dbraw/zinc/65/27/70/464652770.db2.gz JGBBYEADUVPEGH-AAEUAGOBSA-N 1 0 330.388 2.152 10 5 EEBERO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000191134914 464783915 /nfs/dbraw/zinc/78/39/15/464783915.db2.gz BQGDZSWOAWTXLH-GHMZBOCLSA-N 1 0 339.367 2.296 10 5 EEBERO COc1cc(NC2CCN(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000268205453 464971389 /nfs/dbraw/zinc/97/13/89/464971389.db2.gz ZXSVOYVACQELBY-UHFFFAOYSA-N 1 0 340.399 2.180 10 5 EEBERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268234789 464985552 /nfs/dbraw/zinc/98/55/52/464985552.db2.gz SXLIVRZKYZIJOL-QLJPJBMISA-N 1 0 328.372 2.289 10 5 EEBERO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000299305689 465690885 /nfs/dbraw/zinc/69/08/85/465690885.db2.gz BITGCIAPRSWWGJ-MRXNPFEDSA-N 1 0 342.399 2.246 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366632939 465844254 /nfs/dbraw/zinc/84/42/54/465844254.db2.gz ROJKSZGXFFGTBT-WFASDCNBSA-N 1 0 333.388 2.208 10 5 EEBERO CNC(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000594014083 468460373 /nfs/dbraw/zinc/46/03/73/468460373.db2.gz LLTDTTSUULGIOJ-WKILWMFISA-N 1 0 349.431 2.227 10 5 EEBERO CCC[N@H+](CC)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362858163 466078024 /nfs/dbraw/zinc/07/80/24/466078024.db2.gz ZRPZTFSSLUKKHH-UHFFFAOYSA-N 1 0 329.347 2.264 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(F)c1 ZINC000338478366 466158103 /nfs/dbraw/zinc/15/81/03/466158103.db2.gz WCHUOZJODLFAFW-XJKSGUPXSA-N 1 0 338.379 2.391 10 5 EEBERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000597193961 468477175 /nfs/dbraw/zinc/47/71/75/468477175.db2.gz WTMGPXQHYQBMAD-XJKSGUPXSA-N 1 0 346.339 2.275 10 5 EEBERO C[NH+](C)CCN1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302856347 466199954 /nfs/dbraw/zinc/19/99/54/466199954.db2.gz SCSNLBNKRSLZRQ-UHFFFAOYSA-N 1 0 333.436 2.001 10 5 EEBERO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000353945968 466273181 /nfs/dbraw/zinc/27/31/81/466273181.db2.gz DARBYWGRNXWQEN-IUODEOHRSA-N 1 0 341.433 2.060 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)OC)C(C)C ZINC000354442340 466571195 /nfs/dbraw/zinc/57/11/95/466571195.db2.gz VYCLMHKSJMMMRF-LBPRGKRZSA-N 1 0 339.392 2.287 10 5 EEBERO COC(=O)c1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000362197652 466616641 /nfs/dbraw/zinc/61/66/41/466616641.db2.gz HQHBNWFUJQNAPZ-CYBMUJFWSA-N 1 0 333.388 2.364 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433773352 467352451 /nfs/dbraw/zinc/35/24/51/467352451.db2.gz GFCHUFCPOGBITE-RYUDHWBXSA-N 1 0 337.424 2.434 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000449365174 467634123 /nfs/dbraw/zinc/63/41/23/467634123.db2.gz VESKBYZQXPMZDC-CYBMUJFWSA-N 1 0 332.381 2.256 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000449419598 467642399 /nfs/dbraw/zinc/64/23/99/467642399.db2.gz BNGUFTSJKWGDQP-DUFXMDAXSA-N 1 0 345.346 2.306 10 5 EEBERO COc1ccc(CC(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000516927380 468056626 /nfs/dbraw/zinc/05/66/26/468056626.db2.gz KYNDWAKFRUCMFK-UHFFFAOYSA-N 1 0 335.404 2.314 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590221939 468224193 /nfs/dbraw/zinc/22/41/93/468224193.db2.gz RBDATBTUBDDRFL-VIFPVBQESA-N 1 0 331.294 2.438 10 5 EEBERO COc1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000567871610 468228782 /nfs/dbraw/zinc/22/87/82/468228782.db2.gz XKVKGEBNLULISK-QGZVFWFLSA-N 1 0 335.404 2.188 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000590447245 468259489 /nfs/dbraw/zinc/25/94/89/468259489.db2.gz WOMMPLDOXWBMBF-TVQRCGJNSA-N 1 0 343.305 2.390 10 5 EEBERO Cc1cccc(C2([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CCC2)c1 ZINC000592146414 468637279 /nfs/dbraw/zinc/63/72/79/468637279.db2.gz OVRRMUSDIVCZKR-MRXNPFEDSA-N 1 0 330.388 2.130 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000594733524 468667989 /nfs/dbraw/zinc/66/79/89/468667989.db2.gz XKDUZCVXHSIPPU-HEHGZKQESA-N 1 0 338.429 2.394 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592421331 468694928 /nfs/dbraw/zinc/69/49/28/468694928.db2.gz CWXFMLJVJVIDLJ-CQSZACIVSA-N 1 0 334.376 2.400 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592421330 468694936 /nfs/dbraw/zinc/69/49/36/468694936.db2.gz CWXFMLJVJVIDLJ-AWEZNQCLSA-N 1 0 334.376 2.400 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476521 468706406 /nfs/dbraw/zinc/70/64/06/468706406.db2.gz XKYLTWSXTSVNLO-CKEIUWERSA-N 1 0 346.431 2.386 10 5 EEBERO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](CC)C1 ZINC000598038910 468745700 /nfs/dbraw/zinc/74/57/00/468745700.db2.gz HCFHPYKSAPLDOF-LLVKDONJSA-N 1 0 341.358 2.358 10 5 EEBERO Cc1cncc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000595088758 468756398 /nfs/dbraw/zinc/75/63/98/468756398.db2.gz CPFQDBHJLWOUHZ-LBPRGKRZSA-N 1 0 343.387 2.243 10 5 EEBERO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165036 468767017 /nfs/dbraw/zinc/76/70/17/468767017.db2.gz JDHDFVJWGTWKGB-UWVGGRQHSA-N 1 0 347.341 2.410 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601175869 468771376 /nfs/dbraw/zinc/77/13/76/468771376.db2.gz RCBQNSPCFURTSG-CHWSQXEVSA-N 1 0 330.388 2.034 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000595223852 468788860 /nfs/dbraw/zinc/78/88/60/468788860.db2.gz CAEMCDXKQPPIPR-HUUCEWRRSA-N 1 0 346.362 2.029 10 5 EEBERO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595254536 468794814 /nfs/dbraw/zinc/79/48/14/468794814.db2.gz ZBVYNISXONSHBI-QGZVFWFLSA-N 1 0 341.367 2.324 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2ccncn2)C1 ZINC000601304197 468819180 /nfs/dbraw/zinc/81/91/80/468819180.db2.gz MUESNFHLDSKTFT-CYBMUJFWSA-N 1 0 327.388 2.184 10 5 EEBERO CC[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)[NH2+]1 ZINC000598531048 468901886 /nfs/dbraw/zinc/90/18/86/468901886.db2.gz FFQGYICZESNSCW-VHSXEESVSA-N 1 0 327.331 2.014 10 5 EEBERO COCC[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593340033 468944036 /nfs/dbraw/zinc/94/40/36/468944036.db2.gz SBKBXSIEVUQHBU-UHFFFAOYSA-N 1 0 349.431 2.097 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)c1 ZINC000595689322 468956122 /nfs/dbraw/zinc/95/61/22/468956122.db2.gz PLTVNYDGCJBMKX-WFASDCNBSA-N 1 0 336.388 2.364 10 5 EEBERO C[C@]12COC[C@@H]1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000595756164 468992337 /nfs/dbraw/zinc/99/23/37/468992337.db2.gz FFIZUMHBDWMOHA-LRDDRELGSA-N 1 0 330.344 2.113 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593480323 468999870 /nfs/dbraw/zinc/99/98/70/468999870.db2.gz SZDBXOMCKTXMCH-STQMWFEESA-N 1 0 330.388 2.034 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N(C)[C@@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595907303 469077194 /nfs/dbraw/zinc/07/71/94/469077194.db2.gz IEFJRWXTTMQNSB-SKDRFNHKSA-N 1 0 348.325 2.052 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@@H]3CCCO3)o2)cc1 ZINC000598989781 469079362 /nfs/dbraw/zinc/07/93/62/469079362.db2.gz AAQNHMHNDNDHFT-WBVHZDCISA-N 1 0 332.356 2.484 10 5 EEBERO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595959196 469097501 /nfs/dbraw/zinc/09/75/01/469097501.db2.gz CFKHHJITAJOJSM-CYBMUJFWSA-N 1 0 332.404 2.029 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000610879221 469101239 /nfs/dbraw/zinc/10/12/39/469101239.db2.gz QJHRCECOQQAWKX-CQSZACIVSA-N 1 0 332.404 2.363 10 5 EEBERO COC(=O)c1c(Cl)c(N(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596185255 469192282 /nfs/dbraw/zinc/19/22/82/469192282.db2.gz MVGHCQIFTXYNDG-UHFFFAOYSA-N 1 0 329.784 2.423 10 5 EEBERO O=[N+]([O-])c1cc(F)c(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(F)c1 ZINC000602988569 469209120 /nfs/dbraw/zinc/20/91/20/469209120.db2.gz OOHDBORHUQMOER-OIBJUYFYSA-N 1 0 340.248 2.476 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000596566725 469302414 /nfs/dbraw/zinc/30/24/14/469302414.db2.gz JSSBYUPYZULVKJ-CQSZACIVSA-N 1 0 345.403 2.085 10 5 EEBERO C[C@@H]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[NH2+]1 ZINC000599595035 469303632 /nfs/dbraw/zinc/30/36/32/469303632.db2.gz FNPGMSXNPTZRJJ-RKDXNWHRSA-N 1 0 344.318 2.458 10 5 EEBERO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000599652399 469325464 /nfs/dbraw/zinc/32/54/64/469325464.db2.gz KQTWTJWQCOTEGO-JGZJWPJOSA-N 1 0 342.193 2.053 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)NC2CC([NH+](C)C)C2)cc1SC ZINC000619872706 469693279 /nfs/dbraw/zinc/69/32/79/469693279.db2.gz HRIPXLDSCSQYIT-UHFFFAOYSA-N 1 0 339.417 2.148 10 5 EEBERO [NH3+]CC1(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000653217903 471540006 /nfs/dbraw/zinc/54/00/06/471540006.db2.gz NENFLMGUCSSDFH-UHFFFAOYSA-N 1 0 349.434 2.400 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)o2)cc1 ZINC000595829857 485610068 /nfs/dbraw/zinc/61/00/68/485610068.db2.gz IWKDBHDWVVBUMK-CHWSQXEVSA-N 1 0 330.344 2.113 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181535982 529153783 /nfs/dbraw/zinc/15/37/83/529153783.db2.gz NAMSETHYRMSLHS-DVOMOZLQSA-N 1 0 335.404 2.271 10 5 EEBERO CC1(C)NC(=O)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000494965508 534971367 /nfs/dbraw/zinc/97/13/67/534971367.db2.gz XYRARNKDWLBFFI-CYBMUJFWSA-N 1 0 325.796 2.438 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000426948476 535352966 /nfs/dbraw/zinc/35/29/66/535352966.db2.gz NEDCUNBMNHGHJV-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000749645838 577979406 /nfs/dbraw/zinc/97/94/06/577979406.db2.gz IHFZDFBPYQJVPU-CABCVRRESA-N 1 0 330.340 2.058 10 5 EEBERO Cn1c(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000735220206 578139203 /nfs/dbraw/zinc/13/92/03/578139203.db2.gz HRBOCTFRYYQFIS-AWEZNQCLSA-N 1 0 329.356 2.365 10 5 EEBERO O=C1N(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000895340688 684515820 /nfs/dbraw/zinc/51/58/20/684515820.db2.gz AKAJXCPIUUAQNC-BIENSFFJSA-N 1 0 344.415 2.488 10 5 EEBERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235373 688124015 /nfs/dbraw/zinc/12/40/15/688124015.db2.gz ULMJFIUOKCRCIY-CZUORRHYSA-N 1 0 330.388 2.312 10 5 EEBERO COc1c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC000898833689 693475605 /nfs/dbraw/zinc/47/56/05/693475605.db2.gz XALZTPGECIKVJP-UONOGXRCSA-N 1 0 333.388 2.206 10 5 EEBERO CC(F)(F)C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001267321859 1178753107 /nfs/dbraw/zinc/75/31/07/1178753107.db2.gz WJBIIQKSBJGWMF-UHFFFAOYSA-N 1 0 327.331 2.331 10 5 EEBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccsn1 ZINC001481174055 1179993540 /nfs/dbraw/zinc/99/35/40/1179993540.db2.gz KZTJUVLMMQDSNL-UHFFFAOYSA-N 1 0 346.412 2.446 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268536306 1183197421 /nfs/dbraw/zinc/19/74/21/1183197421.db2.gz YKLMDKMTCBVAKX-HRMOITMYSA-N 1 0 340.383 2.398 10 5 EEBERO CN(CCC[NH2+]Cc1ccc(Cl)cc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483464643 1190488902 /nfs/dbraw/zinc/48/89/02/1190488902.db2.gz OFWSBMSYQKIOEN-TZMCWYRMSA-N 1 0 343.786 2.082 10 5 EEBERO Cc1cc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)ccn1 ZINC001670876173 1190954738 /nfs/dbraw/zinc/95/47/38/1190954738.db2.gz HTULCLGRGRWSCT-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO CC(C)OCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001484627611 1191447880 /nfs/dbraw/zinc/44/78/80/1191447880.db2.gz UCXQEIIFCPPZEI-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000865998459 1198449411 /nfs/dbraw/zinc/44/94/11/1198449411.db2.gz IQUVTLOXLGWHCP-ZDUSSCGKSA-N 1 0 330.388 2.400 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000866016443 1198455542 /nfs/dbraw/zinc/45/55/42/1198455542.db2.gz MPKNERADTVVIKA-UHFFFAOYSA-N 1 0 329.404 2.404 10 5 EEBERO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000869770520 1200268666 /nfs/dbraw/zinc/26/86/66/1200268666.db2.gz XVXQLKVWAFOAEM-UHFFFAOYSA-N 1 0 349.431 2.334 10 5 EEBERO CC1([NH+]2CCCC2)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870258693 1200579511 /nfs/dbraw/zinc/57/95/11/1200579511.db2.gz QRZRLCZBXULUPG-INIZCTEOSA-N 1 0 347.415 2.105 10 5 EEBERO COc1cc(C(=O)O[C@H](C[NH+](C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000870571562 1200748553 /nfs/dbraw/zinc/74/85/53/1200748553.db2.gz OKJGQGOMPGTDQT-OAHLLOKOSA-N 1 0 340.376 2.355 10 5 EEBERO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000870733579 1200840865 /nfs/dbraw/zinc/84/08/65/1200840865.db2.gz PODZNOVXMXFABL-AWEZNQCLSA-N 1 0 336.392 2.132 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000880180128 1201414015 /nfs/dbraw/zinc/41/40/15/1201414015.db2.gz CRVBWNOKDLXFOS-WBVHZDCISA-N 1 0 334.372 2.391 10 5 EEBERO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928838647 1206426509 /nfs/dbraw/zinc/42/65/09/1206426509.db2.gz AJESWQBWHZQJMI-MRXNPFEDSA-N 1 0 328.372 2.413 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309617 1206623449 /nfs/dbraw/zinc/62/34/49/1206623449.db2.gz DXTCLVQMRUZGSK-BVGQSLNGSA-N 1 0 346.431 2.195 10 5 EEBERO CCO[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1CC)C[NH+](C)C ZINC000931495839 1207397071 /nfs/dbraw/zinc/39/70/71/1207397071.db2.gz PGVDAIFZTQTRTQ-CQSZACIVSA-N 1 0 338.408 2.245 10 5 EEBERO [NH3+][C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000903534274 1240829784 /nfs/dbraw/zinc/82/97/84/1240829784.db2.gz DOHOGMFZVCNQKE-QWRGUYRKSA-N 1 0 333.310 2.185 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852351152 1292097280 /nfs/dbraw/zinc/09/72/80/1292097280.db2.gz JAELBCVJKNEPOG-NILFDRSVSA-N 1 0 326.368 2.390 10 5 EEBERO Cc1noc(COC(=O)CC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000853914544 1292524662 /nfs/dbraw/zinc/52/46/62/1292524662.db2.gz QPSSYYAPVMEOGO-UHFFFAOYSA-N 1 0 345.355 2.383 10 5 EEBERO C[NH2+]CC1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857765076 1293910698 /nfs/dbraw/zinc/91/06/98/1293910698.db2.gz KLHFFDRWRIJZHB-UHFFFAOYSA-N 1 0 343.330 2.024 10 5 EEBERO Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000858041263 1293992638 /nfs/dbraw/zinc/99/26/38/1293992638.db2.gz JIPQGXQODDJEHL-DLBZAZTESA-N 1 0 343.383 2.485 10 5 EEBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843471625 1315920148 /nfs/dbraw/zinc/92/01/48/1315920148.db2.gz XAGPRSSRAIXYBM-UFBFGSQYSA-N 1 0 329.759 2.044 10 5 EEBERO Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC001293343227 1328680105 /nfs/dbraw/zinc/68/01/05/1328680105.db2.gz YWYQXQJPFLUNCB-GFCCVEGCSA-N 1 0 329.360 2.343 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001252264030 1317569863 /nfs/dbraw/zinc/56/98/63/1317569863.db2.gz PNFYQOADZLPFMD-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1 ZINC001159070157 1319593448 /nfs/dbraw/zinc/59/34/48/1319593448.db2.gz GOGQKXKZDWJDJM-LBPRGKRZSA-N 1 0 332.404 2.245 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnn1CC[NH+](C)C ZINC001160555873 1320195705 /nfs/dbraw/zinc/19/57/05/1320195705.db2.gz KZWVJAPYWPXUPQ-UHFFFAOYSA-N 1 0 347.375 2.004 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC2(C1)OCCO2 ZINC001203770532 1321957285 /nfs/dbraw/zinc/95/72/85/1321957285.db2.gz GWHHWTWSVWRXLN-PTNGSMBKSA-N 1 0 347.415 2.037 10 5 EEBERO CCCC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001281207250 1324874228 /nfs/dbraw/zinc/87/42/28/1324874228.db2.gz HRTUNLDYGGMPPB-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO C[N@H+](CCCCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC001299057870 1330155067 /nfs/dbraw/zinc/15/50/67/1330155067.db2.gz DPAHFEGAXCZBNE-UHFFFAOYSA-N 1 0 340.811 2.435 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)n1 ZINC001303540245 1331358548 /nfs/dbraw/zinc/35/85/48/1331358548.db2.gz NMCMFTXCYWKQNE-ZDUSSCGKSA-N 1 0 332.404 2.387 10 5 EEBERO C[N@H+](CCNC(=O)CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001317441684 1332243182 /nfs/dbraw/zinc/24/31/82/1332243182.db2.gz QTNBISJGHHSJIU-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001319351629 1332689526 /nfs/dbraw/zinc/68/95/26/1332689526.db2.gz LGGADTJYAPNTBW-HZPDHXFCSA-N 1 0 349.406 2.318 10 5 EEBERO COC(=O)[C@@H]1[C@@H](C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC001332704187 1335887101 /nfs/dbraw/zinc/88/71/01/1335887101.db2.gz DMFAENTYTTXBOQ-NEPJUHHUSA-N 1 0 328.315 2.474 10 5 EEBERO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001596461089 1349906970 /nfs/dbraw/zinc/90/69/70/1349906970.db2.gz KOKAQWOXQBIIFA-GHMZBOCLSA-N 1 0 325.796 2.342 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001623317615 1352394615 /nfs/dbraw/zinc/39/46/15/1352394615.db2.gz XFRHHDIUFDRFSM-HIFRSBDPSA-N 1 0 349.435 2.075 10 5 EEBERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001626977029 1352479466 /nfs/dbraw/zinc/47/94/66/1352479466.db2.gz IYBAXKLNJDSOPF-MRVPVSSYSA-N 1 0 346.790 2.428 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001630205097 1352565451 /nfs/dbraw/zinc/56/54/51/1352565451.db2.gz YRKKHMIOTPIKGH-MNOVXSKESA-N 1 0 340.811 2.433 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC001643282581 1352745109 /nfs/dbraw/zinc/74/51/09/1352745109.db2.gz KIEFAUVGNGMMGB-LBPRGKRZSA-N 1 0 338.408 2.473 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC001654584535 1354153167 /nfs/dbraw/zinc/15/31/67/1354153167.db2.gz SACIFRVZQPKAAE-ZDUSSCGKSA-N 1 0 329.360 2.130 10 5 EEBERO CC(C)c1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668821996 1356012641 /nfs/dbraw/zinc/01/26/41/1356012641.db2.gz UOZPZENJKOPFIV-SDKBWNRFSA-N 1 0 331.416 2.237 10 5 EEBERO COCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001672338756 1356504662 /nfs/dbraw/zinc/50/46/62/1356504662.db2.gz PAUASQMIEADGBQ-RBVVOMGSSA-N 1 0 347.415 2.100 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000846680174 790380614 /nfs/dbraw/zinc/38/06/14/790380614.db2.gz QXKFXBQQSKQTCC-UHFFFAOYSA-N 1 0 348.359 2.155 10 5 EEBERO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)n1C ZINC000823093882 787540774 /nfs/dbraw/zinc/54/07/74/787540774.db2.gz JOJRAUTUPIRXCU-DCAQKATOSA-N 1 0 332.364 2.280 10 5 EEBERO C[C@@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[NH+]2CCC1CC2 ZINC000912378876 788132601 /nfs/dbraw/zinc/13/26/01/788132601.db2.gz KYBRZJUAJAZBPO-QGZVFWFLSA-N 1 0 328.372 2.290 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000922993345 788495508 /nfs/dbraw/zinc/49/55/08/788495508.db2.gz IEPGTVJPAMSUBT-CEFACKQISA-N 1 0 327.388 2.274 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913273305 788748182 /nfs/dbraw/zinc/74/81/82/788748182.db2.gz DHUMEIPGYAJLLV-CALCHBBNSA-N 1 0 335.379 2.077 10 5 EEBERO COc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000922522170 801237177 /nfs/dbraw/zinc/23/71/77/801237177.db2.gz BYKMQHUKUWJOJX-UKRRQHHQSA-N 1 0 337.445 2.273 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[N@H+](C)CCN(C)C)c1 ZINC000808131684 812467522 /nfs/dbraw/zinc/46/75/22/812467522.db2.gz ROPRRQHXWUDZAI-UHFFFAOYSA-N 1 0 328.388 2.038 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001448938804 1093955825 /nfs/dbraw/zinc/95/58/25/1093955825.db2.gz UJMLWSDOSCSWGD-SECBINFHSA-N 1 0 328.800 2.291 10 5 EEBERO O=C(NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cnco1 ZINC001479873825 1099229126 /nfs/dbraw/zinc/22/91/26/1099229126.db2.gz HDFUPMGUDVRYPL-UHFFFAOYSA-N 1 0 344.371 2.367 10 5 EEBERO CCOCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001495439556 1101155512 /nfs/dbraw/zinc/15/55/12/1101155512.db2.gz HWTYIHIKGOUELW-JOCQHMNTSA-N 1 0 341.433 2.210 10 5 EEBERO Cc1ccncc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001493508263 1108247107 /nfs/dbraw/zinc/24/71/07/1108247107.db2.gz MYFACAZRKABZLU-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO COC1CC[NH+](C2(CNc3nn(C)cc3[N+](=O)[O-])CCCC2)CC1 ZINC001472697364 1110562293 /nfs/dbraw/zinc/56/22/93/1110562293.db2.gz CVESQNULOUGUHE-UHFFFAOYSA-N 1 0 337.424 2.164 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cccnc1 ZINC001499148974 1112150421 /nfs/dbraw/zinc/15/04/21/1112150421.db2.gz QPRPXWAUYKTTIA-UHFFFAOYSA-N 1 0 326.356 2.042 10 5 EEBERO Cc1ccc(CC(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)o1 ZINC001499202719 1112175924 /nfs/dbraw/zinc/17/59/24/1112175924.db2.gz AINCZFWTWNQFNK-UHFFFAOYSA-N 1 0 343.383 2.477 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cocn1 ZINC001502166577 1113624179 /nfs/dbraw/zinc/62/41/79/1113624179.db2.gz DILUSDBNUDCNHA-UHFFFAOYSA-N 1 0 332.360 2.177 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ncc[nH]1 ZINC001505811488 1114208107 /nfs/dbraw/zinc/20/81/07/1114208107.db2.gz IDSZYFYZARORKY-UHFFFAOYSA-N 1 0 345.403 2.206 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000175009541 529405036 /nfs/dbraw/zinc/40/50/36/529405036.db2.gz WSPWIFPSJFGSOV-UKRRQHHQSA-N 1 0 333.388 2.059 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047543990 213856081 /nfs/dbraw/zinc/85/60/81/213856081.db2.gz FENIVNALPSVCPM-JTQLQIEISA-N 1 0 349.840 2.257 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C[C@@H]21 ZINC000456163062 283083117 /nfs/dbraw/zinc/08/31/17/283083117.db2.gz JFDPPFVTVPKBEQ-SKDRFNHKSA-N 1 0 343.305 2.390 10 5 EEBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]12 ZINC000186904395 236059926 /nfs/dbraw/zinc/05/99/26/236059926.db2.gz GKKCEYUDLHGXTH-XXILOJSOSA-N 1 0 341.314 2.006 10 5 EEBERO COc1ccc(C)cc1C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000072314814 216148234 /nfs/dbraw/zinc/14/82/34/216148234.db2.gz ZDAZKZXADZJAAG-FUHWJXTLSA-N 1 0 346.383 2.096 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451343715 243084582 /nfs/dbraw/zinc/08/45/82/243084582.db2.gz OVXLSFYVSAFFSI-UXLLHSPISA-N 1 0 347.415 2.209 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451589818 243168607 /nfs/dbraw/zinc/16/86/07/243168607.db2.gz WPRSMMFYIPUQGK-DFBGVHRSSA-N 1 0 349.387 2.243 10 5 EEBERO CCNC(=O)N1CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000468981148 245367168 /nfs/dbraw/zinc/36/71/68/245367168.db2.gz MHPVRNWJVUOELK-GLNPCMGASA-N 1 0 332.404 2.392 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccccc3)CCCC2)c1 ZINC000305769085 285190176 /nfs/dbraw/zinc/19/01/76/285190176.db2.gz JBQQRFDJHPNLSQ-INIZCTEOSA-N 1 0 330.388 2.211 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000053349131 292137347 /nfs/dbraw/zinc/13/73/47/292137347.db2.gz IPAMVMAFLHZQED-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO O=[N+]([O-])c1cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000261708246 160410248 /nfs/dbraw/zinc/41/02/48/160410248.db2.gz JBYUEGCPHGABJE-NEPJUHHUSA-N 1 0 340.221 2.399 10 5 EEBERO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559617 159197291 /nfs/dbraw/zinc/19/72/91/159197291.db2.gz SUSDKPUWSFWSHI-DYVFJYSZSA-N 1 0 343.383 2.081 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000245476432 160238494 /nfs/dbraw/zinc/23/84/94/160238494.db2.gz SUHCLCIVRBHGFD-CZUORRHYSA-N 1 0 334.420 2.338 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000247914010 160332659 /nfs/dbraw/zinc/33/26/59/160332659.db2.gz ARGWVTMSUORTLZ-SJKOYZFVSA-N 1 0 344.415 2.464 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](CCO)CC1CC1 ZINC000352491508 162155835 /nfs/dbraw/zinc/15/58/35/162155835.db2.gz QPWMYKVZDLUKBT-JTQLQIEISA-N 1 0 341.795 2.280 10 5 EEBERO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000352781142 162283742 /nfs/dbraw/zinc/28/37/42/162283742.db2.gz XOSRBKMBRQARQJ-ZIAGYGMSSA-N 1 0 333.388 2.094 10 5 EEBERO COCC[N@@H+]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450252516 274027223 /nfs/dbraw/zinc/02/72/23/274027223.db2.gz IWQFQERLIKLPAY-UHFFFAOYSA-N 1 0 330.388 2.302 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)C2CCCCC2)n1 ZINC000191766137 274051766 /nfs/dbraw/zinc/05/17/66/274051766.db2.gz QEKSRGIUUNDRIN-UHFFFAOYSA-N 1 0 337.424 2.196 10 5 EEBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000345879757 277567748 /nfs/dbraw/zinc/56/77/48/277567748.db2.gz FIMFFHIOTYSESR-UHFFFAOYSA-N 1 0 337.424 2.055 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000360239517 278076933 /nfs/dbraw/zinc/07/69/33/278076933.db2.gz BUHSNRQYUIVLOF-UHFFFAOYSA-N 1 0 343.387 2.337 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295143396 293626138 /nfs/dbraw/zinc/62/61/38/293626138.db2.gz CLVVEEOHRCNBJZ-QMTHXVAHSA-N 1 0 337.376 2.088 10 5 EEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000298982175 294630414 /nfs/dbraw/zinc/63/04/14/294630414.db2.gz NSXKKLBDBCZWSV-QGZVFWFLSA-N 1 0 341.411 2.426 10 5 EEBERO COCC[NH+]1CCC(Nc2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301450029 294857513 /nfs/dbraw/zinc/85/75/13/294857513.db2.gz SMFJLLBLOUANSX-UHFFFAOYSA-N 1 0 327.356 2.265 10 5 EEBERO C[NH+](C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000301854510 294903016 /nfs/dbraw/zinc/90/30/16/294903016.db2.gz YINDTSFVYBSXJJ-ZDUSSCGKSA-N 1 0 344.350 2.491 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000366430780 301430852 /nfs/dbraw/zinc/43/08/52/301430852.db2.gz BTIHPLNYOHQUPL-XOKHGSTOSA-N 1 0 347.415 2.227 10 5 EEBERO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](COC)Cc1ccccc1 ZINC000350459329 312324187 /nfs/dbraw/zinc/32/41/87/312324187.db2.gz QILNAIVSQPNKFS-MRXNPFEDSA-N 1 0 332.404 2.371 10 5 EEBERO CNC(=O)[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000421374965 314093927 /nfs/dbraw/zinc/09/39/27/314093927.db2.gz FUMCIQPUJUYHMR-GFCCVEGCSA-N 1 0 346.412 2.286 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000429976872 314480202 /nfs/dbraw/zinc/48/02/02/314480202.db2.gz UEKFJBCOZYWCBJ-UHFFFAOYSA-N 1 0 329.360 2.262 10 5 EEBERO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000563497797 319016087 /nfs/dbraw/zinc/01/60/87/319016087.db2.gz GCRWXMKVMSXDDC-JTQLQIEISA-N 1 0 343.181 2.183 10 5 EEBERO COCC[NH+]1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000571674638 319777215 /nfs/dbraw/zinc/77/72/15/319777215.db2.gz XOVOTIKNKCFJOD-UHFFFAOYSA-N 1 0 334.420 2.391 10 5 EEBERO Cc1c(CNC(=O)CCN(C)c2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000581583032 324281630 /nfs/dbraw/zinc/28/16/30/324281630.db2.gz HMBZXPPDKSEBME-UHFFFAOYSA-N 1 0 328.372 2.441 10 5 EEBERO C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000076184662 462818831 /nfs/dbraw/zinc/81/88/31/462818831.db2.gz CLHFKYMKPZMCOC-QEJZJMRPSA-N 1 0 334.376 2.218 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000120199137 462973526 /nfs/dbraw/zinc/97/35/26/462973526.db2.gz FDKVIHCTXIGJGX-CYBMUJFWSA-N 1 0 336.392 2.006 10 5 EEBERO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000080248212 463299912 /nfs/dbraw/zinc/29/99/12/463299912.db2.gz YOTYEFAKOPRFIA-UHFFFAOYSA-N 1 0 349.435 2.028 10 5 EEBERO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+](C2CC2)CC1 ZINC000179216041 464084108 /nfs/dbraw/zinc/08/41/08/464084108.db2.gz GWBXJNVYRILAON-UHFFFAOYSA-N 1 0 342.399 2.315 10 5 EEBERO CC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000172761586 464138524 /nfs/dbraw/zinc/13/85/24/464138524.db2.gz ALHAAZCIXBJKJC-LBPRGKRZSA-N 1 0 345.346 2.089 10 5 EEBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1[N+](=O)[O-] ZINC000271694496 464362431 /nfs/dbraw/zinc/36/24/31/464362431.db2.gz FWNQBBYATFDYMH-NSHDSACASA-N 1 0 332.316 2.016 10 5 EEBERO C[C@H]1CC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599917559 468413253 /nfs/dbraw/zinc/41/32/53/468413253.db2.gz SOOKPJRDAFWYOV-DZGCQCFKSA-N 1 0 334.420 2.357 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265749685 464671539 /nfs/dbraw/zinc/67/15/39/464671539.db2.gz DMQFDTAOHDWICB-UHFFFAOYSA-N 1 0 349.431 2.053 10 5 EEBERO CCn1cc([C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000190814151 464725865 /nfs/dbraw/zinc/72/58/65/464725865.db2.gz MHKQFSFIPPGENG-KRWDZBQOSA-N 1 0 346.387 2.264 10 5 EEBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599939637 468418098 /nfs/dbraw/zinc/41/80/98/468418098.db2.gz BAKUNJUJTICTFK-JGGQBBKZSA-N 1 0 332.404 2.234 10 5 EEBERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000176878873 464873078 /nfs/dbraw/zinc/87/30/78/464873078.db2.gz GIIQZOZLRBXDSV-CQSZACIVSA-N 1 0 349.431 2.068 10 5 EEBERO CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000347943960 465325769 /nfs/dbraw/zinc/32/57/69/465325769.db2.gz IWZFQEQNHCQXSW-HNNXBMFYSA-N 1 0 328.372 2.242 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000359095892 465376364 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EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752016533 577764617 /nfs/dbraw/zinc/76/46/17/577764617.db2.gz YVIUDOQIJGDCHI-VSOYFRJCSA-N 1 0 347.415 2.225 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000757863062 577865789 /nfs/dbraw/zinc/86/57/89/577865789.db2.gz NESLAZKETHRQEL-AEFFLSMTSA-N 1 0 330.384 2.477 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC2(CC2)CC1 ZINC001267314387 1178740337 /nfs/dbraw/zinc/74/03/37/1178740337.db2.gz OTTJSOPLBIKYJI-HZPDHXFCSA-N 1 0 337.464 2.450 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cnsn1)Cc1cccc([N+](=O)[O-])c1 ZINC001481130649 1179861132 /nfs/dbraw/zinc/86/11/32/1179861132.db2.gz MYVDITOSRSTEJW-UHFFFAOYSA-N 1 0 349.416 2.088 10 5 EEBERO COC(=O)C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000905710887 1189879350 /nfs/dbraw/zinc/87/93/50/1189879350.db2.gz XBCZAFKYIRZOLO-DGCLKSJQSA-N 1 0 332.360 2.033 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@H]21 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342.193 2.180 10 5 EEBERO CCc1ccc(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802136036 1236976052 /nfs/dbraw/zinc/97/60/52/1236976052.db2.gz FNAMRBJGZJCNLC-OAHLLOKOSA-N 1 0 336.388 2.423 10 5 EEBERO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000850519928 1277258383 /nfs/dbraw/zinc/25/83/83/1277258383.db2.gz RGYPCLFTDSRCJX-SECBINFHSA-N 1 0 340.323 2.223 10 5 EEBERO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853966249 1292560957 /nfs/dbraw/zinc/56/09/57/1292560957.db2.gz QZNAICUAAAKFED-LLVKDONJSA-N 1 0 343.786 2.423 10 5 EEBERO CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000855491127 1293230514 /nfs/dbraw/zinc/23/05/14/1293230514.db2.gz OMLBSGQLGLQRDJ-NSHDSACASA-N 1 0 349.416 2.156 10 5 EEBERO C[C@@H](COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)[N+](=O)[O-] ZINC000860777013 1295104902 /nfs/dbraw/zinc/10/49/02/1295104902.db2.gz JCFJTAMEOVZUPQ-RRQGHBQHSA-N 1 0 332.400 2.353 10 5 EEBERO O=[N+]([O-])c1ccc(F)cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863574255 1296341292 /nfs/dbraw/zinc/34/12/92/1296341292.db2.gz HEOUUBJLKXOFPM-MRXNPFEDSA-N 1 0 337.395 2.324 10 5 EEBERO Cn1nnc2c1C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000927142921 1297034544 /nfs/dbraw/zinc/03/45/44/1297034544.db2.gz AHVZHRTYCKXHHI-HOCLYGCPSA-N 1 0 341.415 2.192 10 5 EEBERO C[C@@H]1CCC[C@](CNC(=O)c2ccc([N+](=O)[O-])cc2N)([NH+](C)C)C1 ZINC001142066335 1315449672 /nfs/dbraw/zinc/44/96/72/1315449672.db2.gz VCJRLJUMGNBFPW-PXAZEXFGSA-N 1 0 334.420 2.417 10 5 EEBERO C[C@H]1CCC[C@](CNC(=O)c2ccc([N+](=O)[O-])cc2N)([NH+](C)C)C1 ZINC001142066336 1315449805 /nfs/dbraw/zinc/44/98/05/1315449805.db2.gz VCJRLJUMGNBFPW-SJCJKPOMSA-N 1 0 334.420 2.417 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841891069 1315631197 /nfs/dbraw/zinc/63/11/97/1315631197.db2.gz HODKRAFYTKFWLJ-NWDGAFQWSA-N 1 0 327.812 2.135 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CC[C@@H]4C[N@H+](C)C[C@@H]34)c2c1 ZINC001164380667 1321367701 /nfs/dbraw/zinc/36/77/01/1321367701.db2.gz YQIWJVJMARVAGG-DJSGYFEHSA-N 1 0 342.399 2.326 10 5 EEBERO CCN(CCNC(=O)C1CCOCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317477093 1331618746 /nfs/dbraw/zinc/61/87/46/1331618746.db2.gz XEHKOFUQDSMMFK-UHFFFAOYSA-N 1 0 341.433 2.021 10 5 EEBERO Nc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)c2c([nH+]1)CCCC2 ZINC001332070249 1335719729 /nfs/dbraw/zinc/71/97/29/1335719729.db2.gz LYDFURYKZVUEFP-UHFFFAOYSA-N 1 0 325.372 2.409 10 5 EEBERO CCOc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)ccc1[N+](=O)[O-] ZINC001345351152 1337439877 /nfs/dbraw/zinc/43/98/77/1337439877.db2.gz UCEQVKUOWYICPF-KWCYVHTRSA-N 1 0 348.403 2.455 10 5 EEBERO COC(=O)[C@@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC001620493347 1352359410 /nfs/dbraw/zinc/35/94/10/1352359410.db2.gz SXRIQZXHEXKPDV-JKDFXYPNSA-N 1 0 349.387 2.053 10 5 EEBERO CCc1n[nH]c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC001569622133 1342910539 /nfs/dbraw/zinc/91/05/39/1342910539.db2.gz QTCIXTQUIXAFKW-UHFFFAOYSA-N 1 0 349.435 2.265 10 5 EEBERO CCCC1(C(=O)NCC2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCC2)CC1 ZINC001570117131 1343013642 /nfs/dbraw/zinc/01/36/42/1343013642.db2.gz XTTDVNYJSFUVES-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO Cc1noc(C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001620623306 1344576172 /nfs/dbraw/zinc/57/61/72/1344576172.db2.gz RSQXCQPKGUCJNR-CZUORRHYSA-N 1 0 346.387 2.274 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001628687719 1352540440 /nfs/dbraw/zinc/54/04/40/1352540440.db2.gz XFPKBHXWTGLWNB-GFCCVEGCSA-N 1 0 349.387 2.440 10 5 EEBERO CNC(=O)c1ccc(NCc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC001642775268 1352737313 /nfs/dbraw/zinc/73/73/13/1352737313.db2.gz HNKWGTXDZDZJND-UHFFFAOYSA-N 1 0 325.328 2.214 10 5 EEBERO CCC(=O)c1ccc(N2CC([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC001652228923 1354082909 /nfs/dbraw/zinc/08/29/09/1354082909.db2.gz FIHAIPCDSANPDD-UHFFFAOYSA-N 1 0 333.388 2.145 10 5 EEBERO CC(F)(F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001656179237 1354211261 /nfs/dbraw/zinc/21/12/61/1354211261.db2.gz PWWDRVHHIJLQBZ-HAQNSBGRSA-N 1 0 327.331 2.234 10 5 EEBERO COC(=O)[C@@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001659759679 1354385976 /nfs/dbraw/zinc/38/59/76/1354385976.db2.gz IXWUUIKEXRFOKP-JKDFXYPNSA-N 1 0 349.387 2.053 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC001663661720 1355013501 /nfs/dbraw/zinc/01/35/01/1355013501.db2.gz XKRXXQKCOYLFON-NVXWUHKLSA-N 1 0 344.415 2.161 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccsn1 ZINC001667585206 1355763790 /nfs/dbraw/zinc/76/37/90/1355763790.db2.gz NVMRTQCDPOXQMT-UHFFFAOYSA-N 1 0 334.401 2.255 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cnc(C)o1 ZINC001668449894 1355943074 /nfs/dbraw/zinc/94/30/74/1355943074.db2.gz LRAXTCYTSGWQGZ-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO C[C@@H]1[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000919803444 770297981 /nfs/dbraw/zinc/29/79/81/770297981.db2.gz SXENHAUZGXPCDN-CZUORRHYSA-N 1 0 334.420 2.309 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000819318957 785524396 /nfs/dbraw/zinc/52/43/96/785524396.db2.gz FHSAXDQGZRMMLS-ZBFHGGJFSA-N 1 0 332.331 2.361 10 5 EEBERO O=C(NCCCCC[NH+]1CCCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136793650 787985010 /nfs/dbraw/zinc/98/50/10/787985010.db2.gz OIDOTAWXQRFIKJ-UHFFFAOYSA-N 1 0 343.815 2.357 10 5 EEBERO [NH3+]C[C@@H]1CCc2ccccc2N1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392802 789506526 /nfs/dbraw/zinc/50/65/26/789506526.db2.gz VLEJEESDDLKINO-FUHWJXTLSA-N 1 0 327.384 2.408 10 5 EEBERO O=C(CCN1CC[C@]2(C1)CCCC[NH2+]2)Nc1ccccc1[N+](=O)[O-] ZINC000923541381 789754354 /nfs/dbraw/zinc/75/43/54/789754354.db2.gz YFANKAFSNSHNDE-KRWDZBQOSA-N 1 0 332.404 2.141 10 5 EEBERO CC(C)[C@H]1CN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001148133486 792179855 /nfs/dbraw/zinc/17/98/55/792179855.db2.gz VINJWJPXANYQCK-CYBMUJFWSA-N 1 0 325.796 2.247 10 5 EEBERO CCC[N@@H+]1CCC[C@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000913659190 794039885 /nfs/dbraw/zinc/03/98/85/794039885.db2.gz GPSJNHSXLIWXEO-KBXCAEBGSA-N 1 0 349.431 2.041 10 5 EEBERO CC(C)(O)[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001175883087 798261480 /nfs/dbraw/zinc/26/14/80/798261480.db2.gz PGRIUVVRWLCQNB-LLVKDONJSA-N 1 0 332.360 2.238 10 5 EEBERO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC001176209394 798379480 /nfs/dbraw/zinc/37/94/80/798379480.db2.gz CRTFXQPGRBGLFS-CHWSQXEVSA-N 1 0 349.387 2.054 10 5 EEBERO COC[C@](C)([NH3+])CNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804458456 810868858 /nfs/dbraw/zinc/86/88/58/810868858.db2.gz KYWZZSDGZAYOBV-GFCCVEGCSA-N 1 0 332.198 2.441 10 5 EEBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460184719 1110258443 /nfs/dbraw/zinc/25/84/43/1110258443.db2.gz YDIBRBNWUDHAOU-YPMHNXCESA-N 1 0 332.360 2.238 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001468971946 1110483127 /nfs/dbraw/zinc/48/31/27/1110483127.db2.gz ODUOKCMLUBKOJC-INIZCTEOSA-N 1 0 347.346 2.468 10 5 EEBERO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC001473213356 1110572730 /nfs/dbraw/zinc/57/27/30/1110572730.db2.gz NCEHHHSWXAUOAU-MRXNPFEDSA-N 1 0 332.404 2.408 10 5 EEBERO CCCn1nccc1NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001473784560 1110580536 /nfs/dbraw/zinc/58/05/36/1110580536.db2.gz ATMKLTGTINDEHM-LBPRGKRZSA-N 1 0 331.376 2.491 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001520928022 1119202537 /nfs/dbraw/zinc/20/25/37/1119202537.db2.gz PAJUPCBPXYESDR-CWRNSKLLSA-N 1 0 345.399 2.014 10 5 EEBERO [NH3+]CCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000420319313 283432026 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5 EEBERO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000066043809 292157026 /nfs/dbraw/zinc/15/70/26/292157026.db2.gz RFUNAVYFCUQDSC-UHFFFAOYSA-N 1 0 343.387 2.416 10 5 EEBERO COc1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc([N+](=O)[O-])c1C ZINC000190744725 152220737 /nfs/dbraw/zinc/22/07/37/152220737.db2.gz DSEWWRYKUKSHJH-UHFFFAOYSA-N 1 0 333.388 2.222 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000374205754 154003684 /nfs/dbraw/zinc/00/36/84/154003684.db2.gz RCUIROJGIPMHMD-UHFFFAOYSA-N 1 0 349.435 2.104 10 5 EEBERO CC(C)C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000129492153 292358965 /nfs/dbraw/zinc/35/89/65/292358965.db2.gz YAVZWAYQVPKKDK-AWEZNQCLSA-N 1 0 340.399 2.238 10 5 EEBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000188697130 160127589 /nfs/dbraw/zinc/12/75/89/160127589.db2.gz KFGPAEIOCHUXCS-UHFFFAOYSA-N 1 0 337.339 2.004 10 5 EEBERO CN(C)c1ncccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195218397 160208234 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329.356 2.091 10 5 EEBERO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@]2(O)CCOC2)c2ccccc2)c1 ZINC000352907637 162340944 /nfs/dbraw/zinc/34/09/44/162340944.db2.gz HHJITKQJRJBYMN-MSOLQXFVSA-N 1 0 328.368 2.425 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000355448909 163193750 /nfs/dbraw/zinc/19/37/50/163193750.db2.gz VEYVQMJWRGPKLC-INIZCTEOSA-N 1 0 347.415 2.230 10 5 EEBERO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358982651 164029448 /nfs/dbraw/zinc/02/94/48/164029448.db2.gz PADHGXZZPDURPT-NSHDSACASA-N 1 0 343.330 2.362 10 5 EEBERO [NH3+]C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCCC1 ZINC000376529037 167344798 /nfs/dbraw/zinc/34/47/98/167344798.db2.gz UNIQUQOAJZAVBS-UHFFFAOYSA-N 1 0 349.387 2.148 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275161138 269099352 /nfs/dbraw/zinc/09/93/52/269099352.db2.gz IYFAQBYPULUMSE-JTQLQIEISA-N 1 0 333.348 2.006 10 5 EEBERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000278728836 274395246 /nfs/dbraw/zinc/39/52/46/274395246.db2.gz SEYQVIJDOADCBU-GFCCVEGCSA-N 1 0 325.434 2.341 10 5 EEBERO O=C1[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000341996948 275027902 /nfs/dbraw/zinc/02/79/02/275027902.db2.gz TXRPRLMNUKCDAE-FUHWJXTLSA-N 1 0 345.399 2.203 10 5 EEBERO CC(C)([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000292063928 275370444 /nfs/dbraw/zinc/37/04/44/275370444.db2.gz CUCBBHSMIOPQGP-UHFFFAOYSA-N 1 0 326.418 2.244 10 5 EEBERO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000424317476 289809046 /nfs/dbraw/zinc/80/90/46/289809046.db2.gz OHXZFNBYOBTVMC-CFVMTHIKSA-N 1 0 345.399 2.043 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292885156 293068694 /nfs/dbraw/zinc/06/86/94/293068694.db2.gz VHGHKUXYHYFBPB-KRWDZBQOSA-N 1 0 348.403 2.007 10 5 EEBERO C[C@H]1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[C@@H](C)[C@H]1[NH3+] ZINC000297317749 294210311 /nfs/dbraw/zinc/21/03/11/294210311.db2.gz GLHZZJXXGRNUBZ-MMPTUQATSA-N 1 0 332.404 2.367 10 5 EEBERO C[C@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])cc2C(N)=O)([NH+](C)C)C1 ZINC000299059225 294649249 /nfs/dbraw/zinc/64/92/49/294649249.db2.gz NAKQINOISNFXKX-MEDUHNTESA-N 1 0 335.408 2.011 10 5 EEBERO COc1ccc(NC(=O)CCN(C)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000543002945 318148938 /nfs/dbraw/zinc/14/89/38/318148938.db2.gz XKPDAHUBHKRURQ-UHFFFAOYSA-N 1 0 330.344 2.463 10 5 EEBERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1c[nH]nc1[N+](=O)[O-] ZINC000547757651 318319520 /nfs/dbraw/zinc/31/95/20/318319520.db2.gz FPYHWBGLSNUGSU-CQSZACIVSA-N 1 0 343.387 2.102 10 5 EEBERO CC1CC[NH+](CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000580984941 324162272 /nfs/dbraw/zinc/16/22/72/324162272.db2.gz UHZACLOFPXFSJL-UHFFFAOYSA-N 1 0 344.415 2.467 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484243 462653655 /nfs/dbraw/zinc/65/36/55/462653655.db2.gz DDIXVEPXDINFCP-DOTOQJQBSA-N 1 0 346.387 2.285 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000078524533 463124909 /nfs/dbraw/zinc/12/49/09/463124909.db2.gz XGTBOGRJQKNEBP-ZDUSSCGKSA-N 1 0 330.388 2.036 10 5 EEBERO Cc1c(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000262203672 463971775 /nfs/dbraw/zinc/97/17/75/463971775.db2.gz KSOSBRYDMRBPFI-JCKWVBRZSA-N 1 0 347.415 2.052 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000195169975 464010253 /nfs/dbraw/zinc/01/02/53/464010253.db2.gz MJBCBABZUANHDI-UHFFFAOYSA-N 1 0 328.372 2.290 10 5 EEBERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000283803287 464016307 /nfs/dbraw/zinc/01/63/07/464016307.db2.gz ASKNWWYVHWBBJB-FZMZJTMJSA-N 1 0 330.812 2.496 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246041934 464535786 /nfs/dbraw/zinc/53/57/86/464535786.db2.gz BHVUMHVEISASPB-QWHCGFSZSA-N 1 0 341.433 2.006 10 5 EEBERO COCCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000294782785 464604207 /nfs/dbraw/zinc/60/42/07/464604207.db2.gz LFRMTFZKNGYDDU-UHFFFAOYSA-N 1 0 338.404 2.205 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721836 464983775 /nfs/dbraw/zinc/98/37/75/464983775.db2.gz MYUPTMFFZGEHMB-AEFFLSMTSA-N 1 0 333.432 2.409 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593918123 468432983 /nfs/dbraw/zinc/43/29/83/468432983.db2.gz AUWKZJOQJXTXBD-VNQPRFMTSA-N 1 0 333.388 2.096 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000299672061 465852119 /nfs/dbraw/zinc/85/21/19/465852119.db2.gz SSJIVGGKFXOFSM-KBPBESRZSA-N 1 0 335.404 2.132 10 5 EEBERO COc1cc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301726152 466017979 /nfs/dbraw/zinc/01/79/79/466017979.db2.gz PZOIBYVICMKAEO-GJZGRUSLSA-N 1 0 335.404 2.029 10 5 EEBERO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1[N+](=O)[O-] ZINC000338361322 466061531 /nfs/dbraw/zinc/06/15/31/466061531.db2.gz RJKHULHUJWLQKV-CYBMUJFWSA-N 1 0 343.387 2.355 10 5 EEBERO Cc1cc(N2CC[C@]3(CNC(=O)C3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000365103236 466732309 /nfs/dbraw/zinc/73/23/09/466732309.db2.gz ZAFOAPWCOWXTLQ-KRWDZBQOSA-N 1 0 326.356 2.168 10 5 EEBERO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423964011 466930813 /nfs/dbraw/zinc/93/08/13/466930813.db2.gz FPZXFJWYXJCBPW-ABAIWWIYSA-N 1 0 343.387 2.075 10 5 EEBERO C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[S@](C)=O ZINC000447589200 467587902 /nfs/dbraw/zinc/58/79/02/467587902.db2.gz WYXDNGYHLLRJFC-OCWCGTNQSA-N 1 0 328.438 2.022 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCN2CCO)c(Cl)c1 ZINC000449396996 467638451 /nfs/dbraw/zinc/63/84/51/467638451.db2.gz UANCROYGLSEQDE-CQSZACIVSA-N 1 0 327.812 2.185 10 5 EEBERO COc1ncncc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000592368112 468684411 /nfs/dbraw/zinc/68/44/11/468684411.db2.gz OJWUKJKDUVROGV-UHFFFAOYSA-N 1 0 327.344 2.207 10 5 EEBERO CC1=C[C@@H](C)CN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000558891992 468719986 /nfs/dbraw/zinc/71/99/86/468719986.db2.gz GCDKYEOFNAVQPZ-ABAIWWIYSA-N 1 0 329.356 2.125 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCO[C@@H]2CC2(F)F)n1 ZINC000595066763 468751830 /nfs/dbraw/zinc/75/18/30/468751830.db2.gz BMUUKISTFIKBON-IJLUTSLNSA-N 1 0 330.335 2.289 10 5 EEBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC1C[NH+](C)C1 ZINC000598161164 468782044 /nfs/dbraw/zinc/78/20/44/468782044.db2.gz ALXXPYTVPZIFKO-JTQLQIEISA-N 1 0 341.795 2.036 10 5 EEBERO Cc1ccccc1C1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000593040838 468848372 /nfs/dbraw/zinc/84/83/72/468848372.db2.gz WJPWFXUMNAGWFA-HNNXBMFYSA-N 1 0 330.388 2.130 10 5 EEBERO Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572329725 468916086 /nfs/dbraw/zinc/91/60/86/468916086.db2.gz KKGWMQMZWKGGDZ-PBHICJAKSA-N 1 0 332.404 2.024 10 5 EEBERO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572329730 468916224 /nfs/dbraw/zinc/91/62/24/468916224.db2.gz KKGWMQMZWKGGDZ-YOEHRIQHSA-N 1 0 332.404 2.024 10 5 EEBERO C[C@@]12COC[C@]1(C)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595689185 468955772 /nfs/dbraw/zinc/95/57/72/468955772.db2.gz NBQNIWISCCOXBD-CALCHBBNSA-N 1 0 333.388 2.282 10 5 EEBERO C[C@@]12COC[C@]1(C)C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000595687859 468955900 /nfs/dbraw/zinc/95/59/00/468955900.db2.gz DMDSGYYUVUSIIB-NXHRZFHOSA-N 1 0 345.399 2.059 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595754418 468990145 /nfs/dbraw/zinc/99/01/45/468990145.db2.gz BCYRXULMMBBCQO-ZFWWWQNUSA-N 1 0 326.368 2.406 10 5 EEBERO CC[C@@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000601782688 469023042 /nfs/dbraw/zinc/02/30/42/469023042.db2.gz ZVJUEPNKJRSGMB-RDJZCZTQSA-N 1 0 337.420 2.039 10 5 EEBERO O=C(Cc1cn2c(n1)CCCC2)NCCc1cccc([N+](=O)[O-])c1 ZINC000593559081 469034362 /nfs/dbraw/zinc/03/43/62/469034362.db2.gz KPJHFAGFPOWELZ-UHFFFAOYSA-N 1 0 328.372 2.029 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000598914109 469047835 /nfs/dbraw/zinc/04/78/35/469047835.db2.gz YIFLYBQMKWERGR-KCXAZCMYSA-N 1 0 348.403 2.488 10 5 EEBERO C[N@H+](CCCO)C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599045192 469098474 /nfs/dbraw/zinc/09/84/74/469098474.db2.gz GESRQMKILMNLQW-UHFFFAOYSA-N 1 0 344.415 2.426 10 5 EEBERO CC[NH+](CC)CCN(CC(C)C)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588004089 469102307 /nfs/dbraw/zinc/10/23/07/469102307.db2.gz XSFGWLPELZNSBE-UHFFFAOYSA-N 1 0 338.452 2.474 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000599086237 469112783 /nfs/dbraw/zinc/11/27/83/469112783.db2.gz ZKMWXQJLVKWBTH-XFJVYGCCSA-N 1 0 333.388 2.469 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000599183530 469153083 /nfs/dbraw/zinc/15/30/83/469153083.db2.gz QZPXDIVRSHLVJO-UHFFFAOYSA-N 1 0 334.420 2.379 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611579786 469285953 /nfs/dbraw/zinc/28/59/53/469285953.db2.gz OFLVMSOZRCXAEC-JSGCOSHPSA-N 1 0 346.330 2.038 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608899905 469884624 /nfs/dbraw/zinc/88/46/24/469884624.db2.gz FYSJSAPFKCBPGM-UHFFFAOYSA-N 1 0 339.311 2.193 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000131490070 527980581 /nfs/dbraw/zinc/98/05/81/527980581.db2.gz IZKJAQFTAKBVFV-CYBMUJFWSA-N 1 0 345.403 2.135 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000174992219 529303495 /nfs/dbraw/zinc/30/34/95/529303495.db2.gz CPEVSVIJHPCWFK-DZGCQCFKSA-N 1 0 333.388 2.059 10 5 EEBERO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723881941 676815969 /nfs/dbraw/zinc/81/59/69/676815969.db2.gz FAJCTIIGUTYPDY-RKDXNWHRSA-N 1 0 329.198 2.173 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000895278214 684431876 /nfs/dbraw/zinc/43/18/76/684431876.db2.gz QLHRKRWTNVTDJW-LBPRGKRZSA-N 1 0 341.371 2.044 10 5 EEBERO CC(C)Oc1cc(C(=O)N2CC([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000898601154 693391571 /nfs/dbraw/zinc/39/15/71/693391571.db2.gz LPSKVFFRVQYEFW-UHFFFAOYSA-N 1 0 333.388 2.302 10 5 EEBERO COc1ccc(CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898840325 693488305 /nfs/dbraw/zinc/48/83/05/693488305.db2.gz ILVNINYFMBMTFO-HZPDHXFCSA-N 1 0 347.415 2.135 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]ccc1C ZINC001482921646 1187842302 /nfs/dbraw/zinc/84/23/02/1187842302.db2.gz DVQOMDFWXHRCRI-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cncs1 ZINC001483718968 1190813562 /nfs/dbraw/zinc/81/35/62/1190813562.db2.gz LRDHHJDLUSVQKU-UHFFFAOYSA-N 1 0 332.385 2.104 10 5 EEBERO COCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001484391761 1191325838 /nfs/dbraw/zinc/32/58/38/1191325838.db2.gz VDQYYIDFKRNSLO-KOMQPUFPSA-N 1 0 349.431 2.253 10 5 EEBERO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000872047642 1198034778 /nfs/dbraw/zinc/03/47/78/1198034778.db2.gz CEBYFNNXMMKMCQ-MNOVXSKESA-N 1 0 349.366 2.137 10 5 EEBERO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076140 1198042626 /nfs/dbraw/zinc/04/26/26/1198042626.db2.gz YDNMOXLWTPEZFL-CHWSQXEVSA-N 1 0 325.384 2.231 10 5 EEBERO CC(C)(O)C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000872207151 1198087618 /nfs/dbraw/zinc/08/76/18/1198087618.db2.gz PBUZXBSAHIEWHW-LBPRGKRZSA-N 1 0 336.310 2.225 10 5 EEBERO C[NH+](C)C[C@]1(O)CCCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000865923709 1198425507 /nfs/dbraw/zinc/42/55/07/1198425507.db2.gz AFXRIHHQFZHDJV-OAHLLOKOSA-N 1 0 336.417 2.097 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](CCCCO)CC1 ZINC000813595973 1199104224 /nfs/dbraw/zinc/10/42/24/1199104224.db2.gz OBWQVTDLSDTMPV-UHFFFAOYSA-N 1 0 330.388 2.038 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000870549483 1200739068 /nfs/dbraw/zinc/73/90/68/1200739068.db2.gz AJLTXBZYNWEYEZ-LBPRGKRZSA-N 1 0 332.360 2.278 10 5 EEBERO CCOC(=O)c1ccnc(N2CC[N@H+](C)C(C)(C)CC2)c1[N+](=O)[O-] ZINC000866112660 1201435854 /nfs/dbraw/zinc/43/58/54/1201435854.db2.gz HYSIDWBHYIZDPY-UHFFFAOYSA-N 1 0 336.392 2.087 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCOC1=O ZINC000866258026 1201477662 /nfs/dbraw/zinc/47/76/62/1201477662.db2.gz PKAAZGBHFYPCBR-NSHDSACASA-N 1 0 325.340 2.097 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000794951721 1201599078 /nfs/dbraw/zinc/59/90/78/1201599078.db2.gz CUXZILNEQQTJRK-SMDDNHRTSA-N 1 0 340.221 2.493 10 5 EEBERO C[C@@]([NH3+])(C(=O)NCC[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867985491 1201720696 /nfs/dbraw/zinc/72/06/96/1201720696.db2.gz FSNXERDFNZWYOW-KBPBESRZSA-N 1 0 327.331 2.320 10 5 EEBERO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000868121029 1201747720 /nfs/dbraw/zinc/74/77/20/1201747720.db2.gz CXMNERFBXQPQDX-NOLJZWGESA-N 1 0 332.404 2.391 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000868396793 1201805563 /nfs/dbraw/zinc/80/55/63/1201805563.db2.gz NWALNIKCBWRQTK-WFASDCNBSA-N 1 0 332.404 2.185 10 5 EEBERO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000882492582 1201882001 /nfs/dbraw/zinc/88/20/01/1201882001.db2.gz QZSMASXTGRHPLE-JTQLQIEISA-N 1 0 329.759 2.140 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000869052737 1201930004 /nfs/dbraw/zinc/93/00/04/1201930004.db2.gz DGSSIPAKEXBPHJ-LSDHHAIUSA-N 1 0 332.404 2.329 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC000925894164 1206164951 /nfs/dbraw/zinc/16/49/51/1206164951.db2.gz SYBDAMZDYYFTOQ-UHFFFAOYSA-N 1 0 349.435 2.100 10 5 EEBERO CC1([NH+]2CCCC2)CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000928012138 1206326638 /nfs/dbraw/zinc/32/66/38/1206326638.db2.gz UCKAAGXYWFZLGH-UHFFFAOYSA-N 1 0 349.435 2.095 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000930544282 1206566145 /nfs/dbraw/zinc/56/61/45/1206566145.db2.gz MLNSGZSMULKPBG-QMTHXVAHSA-N 1 0 340.221 2.493 10 5 EEBERO Cc1cccc([C@H](O)C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000931468642 1207388418 /nfs/dbraw/zinc/38/84/18/1207388418.db2.gz AIENRWBIWWTWJO-QZTJIDSGSA-N 1 0 330.384 2.434 10 5 EEBERO O=C(N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)C12CC[NH+](CC1)C2 ZINC000900838578 1234889727 /nfs/dbraw/zinc/88/97/27/1234889727.db2.gz PFRTXQQIMFJEOJ-CQSZACIVSA-N 1 0 333.413 2.265 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccon1 ZINC001273496066 1278592691 /nfs/dbraw/zinc/59/26/91/1278592691.db2.gz SGHWBSLBJWQXAF-UHFFFAOYSA-N 1 0 346.387 2.106 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)o1 ZINC001197901337 1284877813 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CCc1ocnc1C(=O)NCC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC001663367680 1354954070 /nfs/dbraw/zinc/95/40/70/1354954070.db2.gz LFRNUSPCWLPTDA-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO Cc1cc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)on1 ZINC001673144533 1356648463 /nfs/dbraw/zinc/64/84/63/1356648463.db2.gz SELIMCJIGASNJN-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000818000500 785118630 /nfs/dbraw/zinc/11/86/30/785118630.db2.gz AZKJQGBZYQIFJX-XHDPSFHLSA-N 1 0 348.359 2.107 10 5 EEBERO COCC(C)(C)[NH+]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000819942743 785734101 /nfs/dbraw/zinc/73/41/01/785734101.db2.gz KFCOKVNVMMBRDI-UHFFFAOYSA-N 1 0 341.383 2.290 10 5 EEBERO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912908296 788466185 /nfs/dbraw/zinc/46/61/85/788466185.db2.gz LOEOFWPJPRDRPS-LLVKDONJSA-N 1 0 341.770 2.236 10 5 EEBERO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@]12CC[N@H+](C1)CCC2 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ZINC000171694130 533223952 /nfs/dbraw/zinc/22/39/52/533223952.db2.gz TUZYDYHQCBUQKO-NSHDSACASA-N 1 0 339.417 2.369 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000048274234 132426184 /nfs/dbraw/zinc/42/61/84/132426184.db2.gz JFDVUMXFWLZUDL-CQSZACIVSA-N 1 0 333.388 2.446 10 5 EEBERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892899 292213625 /nfs/dbraw/zinc/21/36/25/292213625.db2.gz DWDCQBBENLENDZ-AAEUAGOBSA-N 1 0 344.371 2.336 10 5 EEBERO COc1ccc(OCCN2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000173588149 152180220 /nfs/dbraw/zinc/18/02/20/152180220.db2.gz QQQFAJPOMDVUOE-UHFFFAOYSA-N 1 0 335.404 2.152 10 5 EEBERO COc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000261707876 160410336 /nfs/dbraw/zinc/41/03/36/160410336.db2.gz KHHZORJZWFLOKT-UHFFFAOYSA-N 1 0 343.383 2.247 10 5 EEBERO C[NH+](C)CC1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000129378673 292357637 /nfs/dbraw/zinc/35/76/37/292357637.db2.gz FHDCFMJORXBUMS-UHFFFAOYSA-N 1 0 335.404 2.210 10 5 EEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079757609 159135245 /nfs/dbraw/zinc/13/52/45/159135245.db2.gz CEUBGUWHVAAGCX-CQSZACIVSA-N 1 0 336.436 2.124 10 5 EEBERO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1CCOC ZINC000106115834 159312384 /nfs/dbraw/zinc/31/23/84/159312384.db2.gz FBXXVPYTJDHSHP-HNNXBMFYSA-N 1 0 337.420 2.146 10 5 EEBERO [NH3+]C1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCCCCC1 ZINC000237768840 160224822 /nfs/dbraw/zinc/22/48/22/160224822.db2.gz YARJLBGTVSAMED-UHFFFAOYSA-N 1 0 331.376 2.253 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245415864 160233253 /nfs/dbraw/zinc/23/32/53/160233253.db2.gz DQPBMCCIIKVNIK-KGLIPLIRSA-N 1 0 332.404 2.092 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247352225 160321710 /nfs/dbraw/zinc/32/17/10/160321710.db2.gz JUESKHAKIZVPQK-XJKSGUPXSA-N 1 0 335.404 2.162 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000356192109 163362825 /nfs/dbraw/zinc/36/28/25/163362825.db2.gz NFISYEYQUOLPJU-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC000359089974 164055850 /nfs/dbraw/zinc/05/58/50/164055850.db2.gz COTLBOZJESUWGE-MRXNPFEDSA-N 1 0 328.372 2.169 10 5 EEBERO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000360654093 164358344 /nfs/dbraw/zinc/35/83/44/164358344.db2.gz SGLGKYQRQGBEQK-SECBINFHSA-N 1 0 349.840 2.175 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000368326420 166088614 /nfs/dbraw/zinc/08/86/14/166088614.db2.gz GEQIZPKDILSDIF-SFHVURJKSA-N 1 0 332.448 2.115 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000369669855 166310296 /nfs/dbraw/zinc/31/02/96/166310296.db2.gz GBBSUEJDSIDOBX-UHFFFAOYSA-N 1 0 344.371 2.307 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275134452 269097078 /nfs/dbraw/zinc/09/70/78/269097078.db2.gz CITPVUXYGWIBIP-JTQLQIEISA-N 1 0 333.348 2.006 10 5 EEBERO CCCN(CC[NH+]1CCCCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000289164420 275101945 /nfs/dbraw/zinc/10/19/45/275101945.db2.gz QHWXJZCNHUHHAF-UHFFFAOYSA-N 1 0 337.424 2.057 10 5 EEBERO COc1cc(N2CCC(OCC[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000343853580 277825003 /nfs/dbraw/zinc/82/50/03/277825003.db2.gz OBAWYVYUVDTZPM-UHFFFAOYSA-N 1 0 341.383 2.290 10 5 EEBERO COc1cc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1F ZINC000095411900 277826075 /nfs/dbraw/zinc/82/60/75/277826075.db2.gz SULYCDQOUSTEJE-UHFFFAOYSA-N 1 0 332.335 2.464 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415655976 313162741 /nfs/dbraw/zinc/16/27/41/313162741.db2.gz KSCVKQXDSRXMHV-ZDUSSCGKSA-N 1 0 334.376 2.352 10 5 EEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448918799 315399226 /nfs/dbraw/zinc/39/92/26/315399226.db2.gz VOVGNYXRPIQQJE-ZDUSSCGKSA-N 1 0 343.387 2.199 10 5 EEBERO CNc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000527267491 317175912 /nfs/dbraw/zinc/17/59/12/317175912.db2.gz QUCGNFITHYZFMR-UHFFFAOYSA-N 1 0 332.404 2.383 10 5 EEBERO COc1cc(CN2CCC[C@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000539811851 318063603 /nfs/dbraw/zinc/06/36/03/318063603.db2.gz HOPCEGWGNVHGKC-AWEZNQCLSA-N 1 0 333.388 2.190 10 5 EEBERO CS[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1[NH+](C)C ZINC000564892773 319123743 /nfs/dbraw/zinc/12/37/43/319123743.db2.gz DOTBPTMJEVIBMR-CABCVRRESA-N 1 0 336.461 2.350 10 5 EEBERO CNc1nccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600230284 449256064 /nfs/dbraw/zinc/25/60/64/449256064.db2.gz QAYWDCUPIHCPDV-ZDUSSCGKSA-N 1 0 347.419 2.168 10 5 EEBERO Cc1cc(NC[C@@H]2COCC[NH2+]2)c(Br)cc1[N+](=O)[O-] ZINC000235904195 464212752 /nfs/dbraw/zinc/21/27/52/464212752.db2.gz RCRJXFZHFBNXRY-SECBINFHSA-N 1 0 330.182 2.066 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000296028139 465055863 /nfs/dbraw/zinc/05/58/63/465055863.db2.gz ZNZRUGNRWBYLJY-DZGCQCFKSA-N 1 0 347.415 2.499 10 5 EEBERO Cn1c2ccccc2nc1CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347789060 465228926 /nfs/dbraw/zinc/22/89/26/465228926.db2.gz SDHNYTHXONBTAY-UHFFFAOYSA-N 1 0 337.383 2.477 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113444987 462596316 /nfs/dbraw/zinc/59/63/16/462596316.db2.gz ARBAHKDNGHCMQJ-GWCFXTLKSA-N 1 0 348.359 2.120 10 5 EEBERO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)C1 ZINC000521395204 468309071 /nfs/dbraw/zinc/30/90/71/468309071.db2.gz ZNVFGGYZYGJSJI-BETUJISGSA-N 1 0 330.388 2.283 10 5 EEBERO C[C@@H](Nc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1)C(C)(C)C[NH+](C)C ZINC000125488195 463549986 /nfs/dbraw/zinc/54/99/86/463549986.db2.gz ITZSSQBKHHOITL-LLVKDONJSA-N 1 0 343.449 2.387 10 5 EEBERO COc1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000262243786 463981331 /nfs/dbraw/zinc/98/13/31/463981331.db2.gz PHDFDXXVJBQEMA-MRXNPFEDSA-N 1 0 328.372 2.145 10 5 EEBERO COc1cc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000271617092 464344157 /nfs/dbraw/zinc/34/41/57/464344157.db2.gz LDDQLPJUOQZABG-JSGCOSHPSA-N 1 0 329.397 2.224 10 5 EEBERO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000281310635 464409639 /nfs/dbraw/zinc/40/96/39/464409639.db2.gz IBPXGRDTEBPAAM-SIXLDLHFSA-N 1 0 349.431 2.018 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000174844994 464457238 /nfs/dbraw/zinc/45/72/38/464457238.db2.gz XLVQYIGTKSVVFA-CQSZACIVSA-N 1 0 330.344 2.357 10 5 EEBERO CC[N@@H+]1CC[C@H](CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272503921 464635330 /nfs/dbraw/zinc/63/53/30/464635330.db2.gz HQVFPPMQRQYUMQ-RHSMWYFYSA-N 1 0 343.431 2.349 10 5 EEBERO CCOc1cccc(N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000248492527 464758343 /nfs/dbraw/zinc/75/83/43/464758343.db2.gz OPPCIRCUZOIZRD-UONOGXRCSA-N 1 0 337.420 2.275 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000593918791 468433566 /nfs/dbraw/zinc/43/35/66/468433566.db2.gz JFZZHFFGQKAJTF-WOPDTQHZSA-N 1 0 339.417 2.157 10 5 EEBERO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000351922856 465444717 /nfs/dbraw/zinc/44/47/17/465444717.db2.gz LFTQSFLCYZFCTP-ZDUSSCGKSA-N 1 0 334.372 2.379 10 5 EEBERO Cn1cc([N+](=O)[O-])c(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)n1 ZINC000357026350 465709845 /nfs/dbraw/zinc/70/98/45/465709845.db2.gz ISQQSRGJYPSOCS-UHFFFAOYSA-N 1 0 346.322 2.246 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000366430777 465721004 /nfs/dbraw/zinc/72/10/04/465721004.db2.gz BTIHPLNYOHQUPL-KBRIMQKVSA-N 1 0 347.415 2.227 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]21 ZINC000301684598 466009117 /nfs/dbraw/zinc/00/91/17/466009117.db2.gz WLYKPYDNDZNFJT-CHWSQXEVSA-N 1 0 331.294 2.133 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000594040169 468469175 /nfs/dbraw/zinc/46/91/75/468469175.db2.gz DWHRHFNREPSOIE-WBVHZDCISA-N 1 0 347.415 2.421 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000302185604 466113606 /nfs/dbraw/zinc/11/36/06/466113606.db2.gz PGAGHHDFFAJBAQ-UONOGXRCSA-N 1 0 333.388 2.302 10 5 EEBERO O=C(Nc1nncs1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361653756 466179801 /nfs/dbraw/zinc/17/98/01/466179801.db2.gz WAHPHGGTMVDWHZ-UHFFFAOYSA-N 1 0 347.400 2.297 10 5 EEBERO CC(C)Oc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594103236 468485096 /nfs/dbraw/zinc/48/50/96/468485096.db2.gz WEXUJJMVYQPFJZ-XBXGTLAGSA-N 1 0 335.404 2.452 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000341063623 466554426 /nfs/dbraw/zinc/55/44/26/466554426.db2.gz RGYUXFRAAIKNQN-KBPBESRZSA-N 1 0 334.420 2.386 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402140 467395992 /nfs/dbraw/zinc/39/59/92/467395992.db2.gz QHXVBBXRFNDSGR-RHSMWYFYSA-N 1 0 346.431 2.306 10 5 EEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590443731 468258303 /nfs/dbraw/zinc/25/83/03/468258303.db2.gz GMIXLPDOCFSOMC-VYDXJSESSA-N 1 0 331.416 2.326 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594257581 468531482 /nfs/dbraw/zinc/53/14/82/468531482.db2.gz IZXPEVOIMTZGIJ-FZNQNYSPSA-N 1 0 334.420 2.119 10 5 EEBERO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000594502341 468610344 /nfs/dbraw/zinc/61/03/44/468610344.db2.gz ZJDPZBVYUNYCKZ-NEPJUHHUSA-N 1 0 344.458 2.242 10 5 EEBERO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597696540 468641978 /nfs/dbraw/zinc/64/19/78/468641978.db2.gz CDMZVMOAZKMMTA-KOLCDFICSA-N 1 0 343.330 2.361 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000600749835 468648190 /nfs/dbraw/zinc/64/81/90/468648190.db2.gz SEYYABDULIQOGY-CALCHBBNSA-N 1 0 343.387 2.076 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000600755329 468649818 /nfs/dbraw/zinc/64/98/18/468649818.db2.gz GQYHSWKNURSQCK-INIZCTEOSA-N 1 0 337.395 2.324 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000600795560 468660017 /nfs/dbraw/zinc/66/00/17/468660017.db2.gz ZDJLNNVZOAFNGK-SFHVURJKSA-N 1 0 328.368 2.458 10 5 EEBERO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000592378760 468686522 /nfs/dbraw/zinc/68/65/22/468686522.db2.gz BNDHZORVLYUMGX-MELADBBJSA-N 1 0 334.372 2.425 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753555 468751248 /nfs/dbraw/zinc/75/12/48/468751248.db2.gz RTFOEDUXKDWJOQ-KSSFIOAISA-N 1 0 346.431 2.306 10 5 EEBERO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601128851 468754291 /nfs/dbraw/zinc/75/42/91/468754291.db2.gz DZXLSNAGONFMHJ-CBAPKCEASA-N 1 0 333.314 2.242 10 5 EEBERO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000595232016 468789566 /nfs/dbraw/zinc/78/95/66/468789566.db2.gz OMSJLYWJBROMPH-SSDOTTSWSA-N 1 0 345.197 2.395 10 5 EEBERO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595257216 468794175 /nfs/dbraw/zinc/79/41/75/468794175.db2.gz IWTIVQKFYCQOPV-QGZVFWFLSA-N 1 0 341.367 2.437 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000595383047 468833418 /nfs/dbraw/zinc/83/34/18/468833418.db2.gz YJQDELDKBILANN-UHFFFAOYSA-N 1 0 343.449 2.135 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000595523170 468888006 /nfs/dbraw/zinc/88/80/06/468888006.db2.gz PHKWZZKSVKNYGT-CQSZACIVSA-N 1 0 334.420 2.309 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)c1 ZINC000595689317 468955842 /nfs/dbraw/zinc/95/58/42/468955842.db2.gz PLTVNYDGCJBMKX-IUODEOHRSA-N 1 0 336.388 2.364 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595746199 468984949 /nfs/dbraw/zinc/98/49/49/468984949.db2.gz UYSWEHKVZXJVBJ-LAQFHYBYSA-N 1 0 335.404 2.181 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595752708 468988141 /nfs/dbraw/zinc/98/81/41/468988141.db2.gz VNEYMLBJVOKWLG-SJCJKPOMSA-N 1 0 333.388 2.159 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000595767389 468997057 /nfs/dbraw/zinc/99/70/57/468997057.db2.gz PWRUCURKGVYRER-MRXNPFEDSA-N 1 0 348.378 2.204 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000595905881 469075278 /nfs/dbraw/zinc/07/52/78/469075278.db2.gz IDRAKHHVYBREGG-HNNXBMFYSA-N 1 0 337.420 2.016 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000595906286 469075476 /nfs/dbraw/zinc/07/54/76/469075476.db2.gz IULIZMZAPKPGPM-HNNXBMFYSA-N 1 0 325.384 2.277 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N(C)[C@@H](C[NH3+])C(F)(F)F)cccc1[N+](=O)[O-] ZINC000595907300 469076922 /nfs/dbraw/zinc/07/69/22/469076922.db2.gz IEFJRWXTTMQNSB-CABZTGNLSA-N 1 0 348.325 2.052 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000595907763 469076978 /nfs/dbraw/zinc/07/69/78/469076978.db2.gz XWWLVPFSCDDHIJ-CQSZACIVSA-N 1 0 348.403 2.279 10 5 EEBERO Nc1c(F)c(N2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596269002 469227416 /nfs/dbraw/zinc/22/74/16/469227416.db2.gz QBTISOQLQJZNBS-UHFFFAOYSA-N 1 0 338.383 2.007 10 5 EEBERO COc1cc(N[C@@H](C)CN(C)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596359559 469249971 /nfs/dbraw/zinc/24/99/71/469249971.db2.gz CODOJSMBJKPLDV-LBPRGKRZSA-N 1 0 342.415 2.426 10 5 EEBERO COc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000603140859 469279103 /nfs/dbraw/zinc/27/91/03/469279103.db2.gz BDTSUCXTLJYYFR-OAHLLOKOSA-N 1 0 335.404 2.406 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000611615714 469293570 /nfs/dbraw/zinc/29/35/70/469293570.db2.gz PQHBWBXYDCCDAN-HNNXBMFYSA-N 1 0 334.420 2.298 10 5 EEBERO C[NH+](C)CCn1cc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cn1 ZINC000611710246 469307621 /nfs/dbraw/zinc/30/76/21/469307621.db2.gz RDGJLAMBLDZHMY-UHFFFAOYSA-N 1 0 327.348 2.040 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000609664326 469953091 /nfs/dbraw/zinc/95/30/91/469953091.db2.gz SLPQWFCYADTVEB-UHFFFAOYSA-N 1 0 334.351 2.064 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175052217 529304841 /nfs/dbraw/zinc/30/48/41/529304841.db2.gz DQPBMCCIIKVNIK-UONOGXRCSA-N 1 0 332.404 2.092 10 5 EEBERO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899986670 693954948 /nfs/dbraw/zinc/95/49/48/693954948.db2.gz OLBTWFHLUWITSM-GDBMZVCRSA-N 1 0 332.404 2.140 10 5 EEBERO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000722243088 693317379 /nfs/dbraw/zinc/31/73/79/693317379.db2.gz FZFDZRNKOSGANC-CABZTGNLSA-N 1 0 328.210 2.397 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000905318176 694600379 /nfs/dbraw/zinc/60/03/79/694600379.db2.gz NBSNMXQNZBCELF-UHFFFAOYSA-N 1 0 331.376 2.253 10 5 EEBERO COCC1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001691104872 1177581962 /nfs/dbraw/zinc/58/19/62/1177581962.db2.gz IYMGBICVHIKSIF-GASCZTMLSA-N 1 0 347.415 2.006 10 5 EEBERO COC1(CC(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001267193446 1178469108 /nfs/dbraw/zinc/46/91/08/1178469108.db2.gz QDTZAMUTOOJDAR-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ncc[nH]1 ZINC001269545315 1184370164 /nfs/dbraw/zinc/37/01/64/1184370164.db2.gz LVLDIFPDUFGRNQ-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO COCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001271721197 1186394087 /nfs/dbraw/zinc/39/40/87/1186394087.db2.gz KUEQTNYLVRENJL-ACHSLPGTSA-N 1 0 347.415 2.100 10 5 EEBERO CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482924433 1187844528 /nfs/dbraw/zinc/84/45/28/1187844528.db2.gz GYFGMYQFHBOIMH-HUUCEWRRSA-N 1 0 331.372 2.036 10 5 EEBERO C[NH+](C)C1(C)CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000871356539 1197698627 /nfs/dbraw/zinc/69/86/27/1197698627.db2.gz GWLIFZDWVPSCAJ-UHFFFAOYSA-N 1 0 335.404 2.353 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872270126 1198121709 /nfs/dbraw/zinc/12/17/09/1198121709.db2.gz BBTYFWAQMFEKLE-LBPRGKRZSA-N 1 0 334.420 2.169 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865660248 1198320890 /nfs/dbraw/zinc/32/08/90/1198320890.db2.gz QYLOFIBVMLNEAM-MBSJSRAVSA-N 1 0 333.432 2.433 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205078 1201464163 /nfs/dbraw/zinc/46/41/63/1201464163.db2.gz JVENLLBLMJJTJD-GXSJLCMTSA-N 1 0 341.209 2.283 10 5 EEBERO CCOC(=O)Cc1ccc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866208408 1201465752 /nfs/dbraw/zinc/46/57/52/1201465752.db2.gz IYSBFYFCCCPMEE-GJZGRUSLSA-N 1 0 347.415 2.231 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)n1 ZINC000866444148 1201519539 /nfs/dbraw/zinc/51/95/39/1201519539.db2.gz CYCUXUNHBJONKE-ABXIZENJSA-N 1 0 332.404 2.288 10 5 EEBERO CC1(C)CC[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000866698929 1201583073 /nfs/dbraw/zinc/58/30/73/1201583073.db2.gz FXTCFLBPYSNQHO-UHFFFAOYSA-N 1 0 340.811 2.261 10 5 EEBERO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000868121028 1201747731 /nfs/dbraw/zinc/74/77/31/1201747731.db2.gz CXMNERFBXQPQDX-JGGQBBKZSA-N 1 0 332.404 2.391 10 5 EEBERO Cc1c(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000868535406 1201829757 /nfs/dbraw/zinc/82/97/57/1201829757.db2.gz RVEWXHJCVFDXEV-GOEBONIOSA-N 1 0 332.404 2.139 10 5 EEBERO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000882492583 1201882042 /nfs/dbraw/zinc/88/20/42/1201882042.db2.gz QZSMASXTGRHPLE-SNVBAGLBSA-N 1 0 329.759 2.140 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887925634 1204508787 /nfs/dbraw/zinc/50/87/87/1204508787.db2.gz NSYSYLBUEQEZRF-ACJLOTCBSA-N 1 0 331.416 2.283 10 5 EEBERO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](CCCCCO)CC2)c(F)c1 ZINC000931496079 1207397330 /nfs/dbraw/zinc/39/73/30/1207397330.db2.gz QUZFWPWXFKUOHN-UHFFFAOYSA-N 1 0 343.374 2.153 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC000933385813 1207763768 /nfs/dbraw/zinc/76/37/68/1207763768.db2.gz JINLJHJEUNFCPR-SUMWQHHRSA-N 1 0 332.356 2.183 10 5 EEBERO COc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1[N+](=O)[O-] ZINC000900299796 1234177786 /nfs/dbraw/zinc/17/77/86/1234177786.db2.gz KGOUYXLFFAIGLW-KBPBESRZSA-N 1 0 333.388 2.237 10 5 EEBERO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903340029 1240271017 /nfs/dbraw/zinc/27/10/17/1240271017.db2.gz RKRYCQJUNAQVQA-OLZOCXBDSA-N 1 0 325.384 2.495 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)s1 ZINC000854150502 1292647899 /nfs/dbraw/zinc/64/78/99/1292647899.db2.gz NVEXOCAPNPPAOP-SSDOTTSWSA-N 1 0 332.345 2.173 10 5 EEBERO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000858475829 1294128337 /nfs/dbraw/zinc/12/83/37/1294128337.db2.gz LDZZFFPJNCICIM-FZMZJTMJSA-N 1 0 347.371 2.163 10 5 EEBERO Cc1c(NC(=O)N(C)C[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000859685028 1294597260 /nfs/dbraw/zinc/59/72/60/1294597260.db2.gz PPHRRBDOHSNDLG-SSDOTTSWSA-N 1 0 345.197 2.477 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)([NH+](C)C)CC1 ZINC000931353803 1297154396 /nfs/dbraw/zinc/15/43/96/1297154396.db2.gz PKORRKFUJIVALD-CYBMUJFWSA-N 1 0 334.420 2.338 10 5 EEBERO CC(C)[C@@H](C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+](C)C ZINC001303528911 1331357666 /nfs/dbraw/zinc/35/76/66/1331357666.db2.gz SACLNHUYIPUDQN-INIZCTEOSA-N 1 0 347.419 2.106 10 5 EEBERO Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1C[C@@H](C)[NH+](C)C ZINC001304834019 1331400321 /nfs/dbraw/zinc/40/03/21/1331400321.db2.gz ZKGNLFCAKCMARO-GFCCVEGCSA-N 1 0 344.419 2.008 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccn[nH]1 ZINC001318617075 1332568758 /nfs/dbraw/zinc/56/87/58/1332568758.db2.gz MUWPEIIOYQRYQB-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO Cc1cccc(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC001349759854 1337645231 /nfs/dbraw/zinc/64/52/31/1337645231.db2.gz DMHVGNQJMWNUQK-AWEZNQCLSA-N 1 0 334.372 2.313 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001627632457 1352504523 /nfs/dbraw/zinc/50/45/23/1352504523.db2.gz ARJYKBCQRMGIRH-GFCCVEGCSA-N 1 0 342.399 2.402 10 5 EEBERO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@@H+](C2CCC2)C1 ZINC001628219650 1352525685 /nfs/dbraw/zinc/52/56/85/1352525685.db2.gz ZXGATJKRKQHIQX-GFCCVEGCSA-N 1 0 332.404 2.123 10 5 EEBERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001629583971 1352555639 /nfs/dbraw/zinc/55/56/39/1352555639.db2.gz JARLYTRORZNMOP-UHFFFAOYSA-N 1 0 345.831 2.411 10 5 EEBERO CC[N@@H+]1C[C@@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001639266447 1352696092 /nfs/dbraw/zinc/69/60/92/1352696092.db2.gz LQKMWZLIPICIAR-CQSZACIVSA-N 1 0 339.367 2.203 10 5 EEBERO COc1cccc(C[C@H]2CN(c3ncccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001651532683 1354056430 /nfs/dbraw/zinc/05/64/30/1354056430.db2.gz MQBXMWFHYQDALL-AWEZNQCLSA-N 1 0 328.372 2.019 10 5 EEBERO CC(C)(C)C[N@H+](CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001652469799 1354091394 /nfs/dbraw/zinc/09/13/94/1354091394.db2.gz BYLNHIYPLZODEV-UHFFFAOYSA-N 1 0 334.376 2.485 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001652488493 1354092641 /nfs/dbraw/zinc/09/26/41/1354092641.db2.gz VRSMGQPVBALIGG-OAHLLOKOSA-N 1 0 332.404 2.239 10 5 EEBERO CCn1nccc1C(=O)NCCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001660113087 1354398662 /nfs/dbraw/zinc/39/86/62/1354398662.db2.gz MOQUEJXFHYIAAK-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO COC1(CC(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001663171624 1354930330 /nfs/dbraw/zinc/93/03/30/1354930330.db2.gz NODRYIURYGWCPJ-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO CCc1cc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001669146877 1356107053 /nfs/dbraw/zinc/10/70/53/1356107053.db2.gz YVTSHZUTFOSECB-ARJAWSKDSA-N 1 0 344.371 2.221 10 5 EEBERO Cc1ccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001691782630 1358628594 /nfs/dbraw/zinc/62/85/94/1358628594.db2.gz JJRJVQSAHYQGML-BRSBDYLESA-N 1 0 345.443 2.077 10 5 EEBERO C[C@H]1[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000919803442 770298537 /nfs/dbraw/zinc/29/85/37/770298537.db2.gz SXENHAUZGXPCDN-BBRMVZONSA-N 1 0 334.420 2.309 10 5 EEBERO CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001127531462 770554989 /nfs/dbraw/zinc/55/49/89/770554989.db2.gz BBUTZVMYZXOIJF-BRWVUGGUSA-N 1 0 331.416 2.165 10 5 EEBERO Cc1cc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc([N+](=O)[O-])c1 ZINC000920901051 770903963 /nfs/dbraw/zinc/90/39/63/770903963.db2.gz ZDGUHEBYEBUOKN-INIZCTEOSA-N 1 0 336.388 2.417 10 5 EEBERO C[C@]1(NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000912373819 788147523 /nfs/dbraw/zinc/14/75/23/788147523.db2.gz GYFRUCDQQUIURQ-SFHVURJKSA-N 1 0 345.399 2.158 10 5 EEBERO COC(=O)c1cc(NC(=O)C2([NH+](C)C)CCCC2)cc([N+](=O)[O-])c1 ZINC001136960532 788355249 /nfs/dbraw/zinc/35/52/49/788355249.db2.gz YOHXKJHFXKMCDY-UHFFFAOYSA-N 1 0 335.360 2.194 10 5 EEBERO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1F ZINC001168496931 796310592 /nfs/dbraw/zinc/31/05/92/796310592.db2.gz KHDFMTJUVMONHM-BXKDBHETSA-N 1 0 342.758 2.296 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922176132 799657029 /nfs/dbraw/zinc/65/70/29/799657029.db2.gz FQYFXCPFNKHJAN-UHFFFAOYSA-N 1 0 346.431 2.361 10 5 EEBERO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc2c[nH+]cn2c1 ZINC001456449631 1109180007 /nfs/dbraw/zinc/18/00/07/1109180007.db2.gz UFOUPUBSKUVFGY-UHFFFAOYSA-N 1 0 336.311 2.231 10 5 EEBERO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCOC1 ZINC001460791015 1110324190 /nfs/dbraw/zinc/32/41/90/1110324190.db2.gz SAWHRFJMLYNKDB-IAQYHMDHSA-N 1 0 334.376 2.002 10 5 EEBERO C[C@H]1CC[C@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC001460952882 1110329791 /nfs/dbraw/zinc/32/97/91/1110329791.db2.gz WTYJSUFRVGHBIG-SUMWQHHRSA-N 1 0 330.388 2.166 10 5 EEBERO CCOc1ccc(C(=O)N[C@H]2C[N@H+](CC)CC2(C)C)cc1[N+](=O)[O-] ZINC001472055725 1110540534 /nfs/dbraw/zinc/54/05/34/1110540534.db2.gz CMEBTXKAWZNXHF-HNNXBMFYSA-N 1 0 335.404 2.454 10 5 EEBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1C ZINC001472821040 1110563798 /nfs/dbraw/zinc/56/37/98/1110563798.db2.gz BLUTXJJFQOPHTM-KGLIPLIRSA-N 1 0 347.415 2.468 10 5 EEBERO COCCCC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001499967110 1112557962 /nfs/dbraw/zinc/55/79/62/1112557962.db2.gz GLKKZRUYCCZTKH-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO Cc1c[nH]c(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC001502007116 1113556199 /nfs/dbraw/zinc/55/61/99/1113556199.db2.gz OBTIURHHGVZJCN-UHFFFAOYSA-N 1 0 343.387 2.069 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC001520928021 1119202662 /nfs/dbraw/zinc/20/26/62/1119202662.db2.gz PAJUPCBPXYESDR-BPUTZDHNSA-N 1 0 345.399 2.014 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001542464869 1124113593 /nfs/dbraw/zinc/11/35/93/1124113593.db2.gz RRHKETXHLSHUHN-ZDUSSCGKSA-N 1 0 333.388 2.304 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncccc1F ZINC001569251519 1125195163 /nfs/dbraw/zinc/19/51/63/1125195163.db2.gz DJCLKBHMLKUECV-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CC[N@@H+]1C[C@@H](C)O ZINC000175099357 529402205 /nfs/dbraw/zinc/40/22/05/529402205.db2.gz PCXROMWRXLVZOD-UKRRQHHQSA-N 1 0 337.420 2.023 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000175027510 529406400 /nfs/dbraw/zinc/40/64/00/529406400.db2.gz FGOKRXFGNQTOAW-CHWSQXEVSA-N 1 0 348.359 2.202 10 5 EEBERO COC[C@@](C)(CCO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424861 314391714 /nfs/dbraw/zinc/39/17/14/314391714.db2.gz PZRJISQSUWQYIT-CYBMUJFWSA-N 1 0 347.209 2.234 10 5 EEBERO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H]1[NH3+] ZINC000070145934 215677485 /nfs/dbraw/zinc/67/74/85/215677485.db2.gz DHFHWFNZXZGWQA-QPUJVOFHSA-N 1 0 342.193 2.167 10 5 EEBERO [NH3+]CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000045623393 213745327 /nfs/dbraw/zinc/74/53/27/213745327.db2.gz AUAZMCIMIWWBOV-UHFFFAOYSA-N 1 0 342.193 2.168 10 5 EEBERO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000080717564 217327054 /nfs/dbraw/zinc/32/70/54/217327054.db2.gz XMKAUAKODYHAIV-AGUYFDCRSA-N 1 0 333.388 2.349 10 5 EEBERO O=[N+]([O-])c1ccc2sc(S(=O)(=O)C[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092209 218280017 /nfs/dbraw/zinc/28/00/17/218280017.db2.gz KRMHBCMXRKGISL-VIFPVBQESA-N 1 0 341.414 2.120 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183226542 533223966 /nfs/dbraw/zinc/22/39/66/533223966.db2.gz UVHKBRZYQFBGJQ-RISCZKNCSA-N 1 0 337.376 2.089 10 5 EEBERO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000093534300 159235844 /nfs/dbraw/zinc/23/58/44/159235844.db2.gz LWKKEPAJPMWMMV-GFCCVEGCSA-N 1 0 329.360 2.085 10 5 EEBERO CC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000247009726 160305109 /nfs/dbraw/zinc/30/51/09/160305109.db2.gz BZSTXRMCXZVTBG-STQMWFEESA-N 1 0 325.384 2.011 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc2n1CCC2 ZINC000344860876 161251503 /nfs/dbraw/zinc/25/15/03/161251503.db2.gz NTMZRMMCVMSPCX-JLHYYAGUSA-N 1 0 327.388 2.368 10 5 EEBERO C[C@H](N[C@H](CO)c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352022428 162033235 /nfs/dbraw/zinc/03/32/35/162033235.db2.gz OSLSGNJMIZXLAG-IINYFYTJSA-N 1 0 335.385 2.307 10 5 EEBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](CCO)CC1CC1 ZINC000352491932 162155479 /nfs/dbraw/zinc/15/54/79/162155479.db2.gz SZDXITZNOILKLS-LLVKDONJSA-N 1 0 332.360 2.410 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000360342299 164288059 /nfs/dbraw/zinc/28/80/59/164288059.db2.gz IXSCPCQAVXXZJE-CQSZACIVSA-N 1 0 340.383 2.153 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122699648 222140441 /nfs/dbraw/zinc/14/04/41/222140441.db2.gz DJMHLGQOPBUXAC-VHSXEESVSA-N 1 0 327.331 2.428 10 5 EEBERO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000277427363 269154364 /nfs/dbraw/zinc/15/43/64/269154364.db2.gz KKAUMAXZFJCYLV-KOLCDFICSA-N 1 0 327.768 2.201 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289585963 275130040 /nfs/dbraw/zinc/13/00/40/275130040.db2.gz ZGSBWUSTWGUSKD-NEPJUHHUSA-N 1 0 331.376 2.255 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cs1 ZINC000293851429 293310631 /nfs/dbraw/zinc/31/06/31/293310631.db2.gz BOSBWTYSORSADW-CQSZACIVSA-N 1 0 326.418 2.314 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000439024985 315064440 /nfs/dbraw/zinc/06/44/40/315064440.db2.gz GSKWPEVGVAMUDZ-AWEZNQCLSA-N 1 0 338.408 2.118 10 5 EEBERO CN(C)c1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000521674303 316927237 /nfs/dbraw/zinc/92/72/37/316927237.db2.gz GRPSTLLVJYRQHM-UHFFFAOYSA-N 1 0 340.387 2.264 10 5 EEBERO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000549157111 318430478 /nfs/dbraw/zinc/43/04/78/318430478.db2.gz VMNXUAHKHGENMR-UHFFFAOYSA-N 1 0 343.387 2.234 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000177011227 464904922 /nfs/dbraw/zinc/90/49/22/464904922.db2.gz MLEUYCFKDQCWIE-GFCCVEGCSA-N 1 0 331.376 2.027 10 5 EEBERO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802807 463467640 /nfs/dbraw/zinc/46/76/40/463467640.db2.gz KJKBAKPOEKGZMY-MRXNPFEDSA-N 1 0 327.388 2.486 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000107887745 463585498 /nfs/dbraw/zinc/58/54/98/463585498.db2.gz NFCVIAOZCBYAER-AWEZNQCLSA-N 1 0 346.431 2.267 10 5 EEBERO COC(=O)c1cc(N2CCC[N@@H+](C3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000177822117 463800189 /nfs/dbraw/zinc/80/01/89/463800189.db2.gz YYKLHTHRRQZJBS-UHFFFAOYSA-N 1 0 333.388 2.364 10 5 EEBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171454333 463867259 /nfs/dbraw/zinc/86/72/59/463867259.db2.gz HQDYVWMWEDRQIP-ZDUSSCGKSA-N 1 0 328.372 2.386 10 5 EEBERO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000179220798 464085157 /nfs/dbraw/zinc/08/51/57/464085157.db2.gz QQCRHTFNYCIKBX-UKRRQHHQSA-N 1 0 343.387 2.056 10 5 EEBERO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000173948470 464337369 /nfs/dbraw/zinc/33/73/69/464337369.db2.gz BCORZXCMEVMFIS-NSHDSACASA-N 1 0 347.462 2.009 10 5 EEBERO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000189132161 464440246 /nfs/dbraw/zinc/44/02/46/464440246.db2.gz TXQQDHADPYPRIX-ZDUSSCGKSA-N 1 0 343.449 2.158 10 5 EEBERO CN1CCN([C@H]2CCCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174901110 464466085 /nfs/dbraw/zinc/46/60/85/464466085.db2.gz FTNMRQGPOPAGKA-KRWDZBQOSA-N 1 0 332.448 2.197 10 5 EEBERO CO[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1C ZINC000189342945 464480649 /nfs/dbraw/zinc/48/06/49/464480649.db2.gz AZEVHRXOUPXKEJ-NHYWBVRUSA-N 1 0 339.367 2.419 10 5 EEBERO CC[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000181543952 464503020 /nfs/dbraw/zinc/50/30/20/464503020.db2.gz SJJOQXIIMPGJTA-HNNXBMFYSA-N 1 0 348.403 2.404 10 5 EEBERO COC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182409205 464648988 /nfs/dbraw/zinc/64/89/88/464648988.db2.gz HSFQDYGYMLGQQY-HZPDHXFCSA-N 1 0 346.383 2.312 10 5 EEBERO Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000183479133 464869601 /nfs/dbraw/zinc/86/96/01/464869601.db2.gz DLOHQXLUIZFUEJ-QAPCUYQASA-N 1 0 344.415 2.259 10 5 EEBERO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000192726489 464986160 /nfs/dbraw/zinc/98/61/60/464986160.db2.gz YDAOGZILVPGVFH-LLVKDONJSA-N 1 0 335.385 2.093 10 5 EEBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000356422924 465372234 /nfs/dbraw/zinc/37/22/34/465372234.db2.gz RFSYVHYONRNGIK-UHFFFAOYSA-N 1 0 348.403 2.103 10 5 EEBERO C[NH2+]Cc1ccccc1CNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000593914360 468431768 /nfs/dbraw/zinc/43/17/68/468431768.db2.gz IUAGXJNRUBZQLB-UHFFFAOYSA-N 1 0 343.383 2.182 10 5 EEBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1[N+](=O)[O-] ZINC000593919277 468433336 /nfs/dbraw/zinc/43/33/36/468433336.db2.gz PSNCBYMGQCPUKW-OIISXLGYSA-N 1 0 347.415 2.404 10 5 EEBERO COc1cc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC000359577413 465465235 /nfs/dbraw/zinc/46/52/35/465465235.db2.gz ASEFLYJKMIABJG-OAHLLOKOSA-N 1 0 333.388 2.078 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C2CC2)CC1 ZINC000299328039 465699414 /nfs/dbraw/zinc/69/94/14/465699414.db2.gz KLMAWTFBGSSXOU-UHFFFAOYSA-N 1 0 332.404 2.012 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362448997 465748905 /nfs/dbraw/zinc/74/89/05/465748905.db2.gz NSROXMNXFIPFNQ-XJKSGUPXSA-N 1 0 333.388 2.343 10 5 EEBERO Cc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300487026 465892178 /nfs/dbraw/zinc/89/21/78/465892178.db2.gz JASMAXFGGFUYCW-TVQRCGJNSA-N 1 0 344.209 2.218 10 5 EEBERO COC(=O)COc1ccc(C[N@@H+]2CCCSCC2)cc1[N+](=O)[O-] ZINC000349065476 465947402 /nfs/dbraw/zinc/94/74/02/465947402.db2.gz ZXCBOXNJLLQXKU-UHFFFAOYSA-N 1 0 340.401 2.086 10 5 EEBERO C[NH+]1CCC(CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362725771 465975748 /nfs/dbraw/zinc/97/57/48/465975748.db2.gz RCHQIRFRXQASFW-UHFFFAOYSA-N 1 0 341.358 2.264 10 5 EEBERO CC1=CC[N@H+](CCNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000302147665 466106311 /nfs/dbraw/zinc/10/63/11/466106311.db2.gz KCVANEHZXUEREX-UHFFFAOYSA-N 1 0 329.360 2.308 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367701551 466500646 /nfs/dbraw/zinc/50/06/46/466500646.db2.gz ZKHJQLDSLRIMEW-NVXWUHKLSA-N 1 0 341.367 2.476 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423389294 466735470 /nfs/dbraw/zinc/73/54/70/466735470.db2.gz JGULGASNCZSFTD-KCXAZCMYSA-N 1 0 329.404 2.005 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423389296 466735771 /nfs/dbraw/zinc/73/57/71/466735771.db2.gz JGULGASNCZSFTD-WQVCFCJDSA-N 1 0 329.404 2.005 10 5 EEBERO C[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1C(=O)OC(C)(C)C ZINC000425511815 467103102 /nfs/dbraw/zinc/10/31/02/467103102.db2.gz DYMQVERACWMBPU-JSGCOSHPSA-N 1 0 338.408 2.234 10 5 EEBERO COc1cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c([N+](=O)[O-])cc1OC ZINC000401373520 467459873 /nfs/dbraw/zinc/45/98/73/467459873.db2.gz KIDGQDRXXMIJSW-HNNXBMFYSA-N 1 0 349.387 2.017 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000493031101 467824579 /nfs/dbraw/zinc/82/45/79/467824579.db2.gz ICAYUQJZPQNBMI-CYBMUJFWSA-N 1 0 343.387 2.192 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000589501689 468158396 /nfs/dbraw/zinc/15/83/96/468158396.db2.gz WFJMEBMBMRHNAU-HIFRSBDPSA-N 1 0 334.372 2.382 10 5 EEBERO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000589838553 468187743 /nfs/dbraw/zinc/18/77/43/468187743.db2.gz BDBDZPOVSOMPGP-LLVKDONJSA-N 1 0 341.358 2.406 10 5 EEBERO C[NH+]1CCC(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000589952833 468198801 /nfs/dbraw/zinc/19/88/01/468198801.db2.gz JWCJMGUPGLWNML-UHFFFAOYSA-N 1 0 344.415 2.467 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000591758868 468516610 /nfs/dbraw/zinc/51/66/10/468516610.db2.gz PQISQRWHRPWXHX-CQSZACIVSA-N 1 0 337.763 2.173 10 5 EEBERO C[C@@H]1CC[N@H+](CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000594309071 468548709 /nfs/dbraw/zinc/54/87/09/468548709.db2.gz FCRCIESTTTZRQF-CQSZACIVSA-N 1 0 347.415 2.306 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600471290 468567086 /nfs/dbraw/zinc/56/70/86/468567086.db2.gz KGOWSCNQLMOJQZ-AWEZNQCLSA-N 1 0 332.404 2.140 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000594405647 468574260 /nfs/dbraw/zinc/57/42/60/468574260.db2.gz YZQWJDUNCXGDGD-AKAXFMLLSA-N 1 0 334.420 2.243 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000597625365 468619651 /nfs/dbraw/zinc/61/96/51/468619651.db2.gz AOSBZESGUYRNOV-CYBMUJFWSA-N 1 0 328.372 2.124 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)c1 ZINC000592166858 468644577 /nfs/dbraw/zinc/64/45/77/468644577.db2.gz JZVNQFNNMKOEMK-QZTJIDSGSA-N 1 0 344.415 2.249 10 5 EEBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000592184751 468647926 /nfs/dbraw/zinc/64/79/26/468647926.db2.gz OZGCTLYTYLADOD-ZDUSSCGKSA-N 1 0 331.294 2.095 10 5 EEBERO [NH3+]C[C@H]1CC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000600962812 468698162 /nfs/dbraw/zinc/69/81/62/468698162.db2.gz MVYUOHZNHVUPKL-KYZUINATSA-N 1 0 329.198 2.104 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476447 468706423 /nfs/dbraw/zinc/70/64/23/468706423.db2.gz SUBJIOICCKKUDE-CPUCHLNUSA-N 1 0 346.431 2.386 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476450 468706587 /nfs/dbraw/zinc/70/65/87/468706587.db2.gz SUBJIOICCKKUDE-KEYYUXOJSA-N 1 0 346.431 2.386 10 5 EEBERO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000594974544 468736213 /nfs/dbraw/zinc/73/62/13/468736213.db2.gz LPEIJUXNOFXEAP-SFHVURJKSA-N 1 0 341.411 2.451 10 5 EEBERO CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](CC)C1 ZINC000598040510 468746505 /nfs/dbraw/zinc/74/65/05/468746505.db2.gz GWQDFHLXVXXSEK-GFCCVEGCSA-N 1 0 331.376 2.027 10 5 EEBERO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595060690 468750836 /nfs/dbraw/zinc/75/08/36/468750836.db2.gz OACUSZYODIABTI-LBPRGKRZSA-N 1 0 326.418 2.460 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226261 468788628 /nfs/dbraw/zinc/78/86/28/468788628.db2.gz SRVZJOHSSTVIBS-GOEBONIOSA-N 1 0 346.431 2.387 10 5 EEBERO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC000584226903 468824602 /nfs/dbraw/zinc/82/46/02/468824602.db2.gz UWGIFUSAEDEWLN-KRWDZBQOSA-N 1 0 333.388 2.128 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000593021165 468842533 /nfs/dbraw/zinc/84/25/33/468842533.db2.gz SJJFWJIXFXNSIZ-STQMWFEESA-N 1 0 335.404 2.296 10 5 EEBERO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593030164 468845677 /nfs/dbraw/zinc/84/56/77/468845677.db2.gz LTYBNCCEPNUEJA-OAHLLOKOSA-N 1 0 335.404 2.298 10 5 EEBERO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])s1 ZINC000601434815 468871431 /nfs/dbraw/zinc/87/14/31/468871431.db2.gz WBNPTHWZXUJQHF-UHFFFAOYSA-N 1 0 347.462 2.117 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000595504052 468879104 /nfs/dbraw/zinc/87/91/04/468879104.db2.gz DLCSCLKJFDBBPM-GOSISDBHSA-N 1 0 347.415 2.299 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595631301 468931755 /nfs/dbraw/zinc/93/17/55/468931755.db2.gz GWCXKWSYIRWTDL-LXZKKBNFSA-N 1 0 338.404 2.129 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CNc3ccccc3C1)OCCO2 ZINC000593314328 468935548 /nfs/dbraw/zinc/93/55/48/468935548.db2.gz CYIFLKKOBZNRHZ-CQSZACIVSA-N 1 0 341.367 2.492 10 5 EEBERO COC(=O)c1ccnc(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598624174 468937194 /nfs/dbraw/zinc/93/71/94/468937194.db2.gz FOBACTCNOFJKSD-UHFFFAOYSA-N 1 0 334.376 2.205 10 5 EEBERO COC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000598635622 468940867 /nfs/dbraw/zinc/94/08/67/468940867.db2.gz XPTCCDULWXDTOD-NSHDSACASA-N 1 0 336.392 2.309 10 5 EEBERO COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598645968 468943696 /nfs/dbraw/zinc/94/36/96/468943696.db2.gz BBJULJNEPQFCNB-LLVKDONJSA-N 1 0 344.314 2.282 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000598716503 468972341 /nfs/dbraw/zinc/97/23/41/468972341.db2.gz JVEGYNFVOSBNIZ-UHFFFAOYSA-N 1 0 342.193 2.180 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755018 468990882 /nfs/dbraw/zinc/99/08/82/468990882.db2.gz DZEBXTIFKOVLCB-ZIAGYGMSSA-N 1 0 326.368 2.406 10 5 EEBERO O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595781555 469006834 /nfs/dbraw/zinc/00/68/34/469006834.db2.gz MCWPJMKAZDGAEF-STQMWFEESA-N 1 0 339.779 2.080 10 5 EEBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@]3(O)CCOC3)cs2)c1 ZINC000593669768 469085603 /nfs/dbraw/zinc/08/56/03/469085603.db2.gz AKORUZCVOTXWLU-INIZCTEOSA-N 1 0 349.412 2.349 10 5 EEBERO Cc1ccc(NCCCNC(=O)C2([NH2+]C3CC3)CCC2)c([N+](=O)[O-])c1 ZINC000595937609 469091540 /nfs/dbraw/zinc/09/15/40/469091540.db2.gz ICLFDCDUCPTNSW-UHFFFAOYSA-N 1 0 346.431 2.496 10 5 EEBERO COc1ccc(C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cc1[N+](=O)[O-] ZINC000593694650 469098106 /nfs/dbraw/zinc/09/81/06/469098106.db2.gz PGSZDYBDAHTWCS-AWEZNQCLSA-N 1 0 343.383 2.469 10 5 EEBERO [NH3+]CC1(CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593706772 469103748 /nfs/dbraw/zinc/10/37/48/469103748.db2.gz UBJFLCGFUALBOM-UHFFFAOYSA-N 1 0 334.420 2.346 10 5 EEBERO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](CCCF)CC2)s1 ZINC000599092074 469115476 /nfs/dbraw/zinc/11/54/76/469115476.db2.gz DZMXXRWKXGNRAJ-UHFFFAOYSA-N 1 0 325.369 2.081 10 5 EEBERO COC(=O)c1c(Cl)c(NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596183148 469190760 /nfs/dbraw/zinc/19/07/60/469190760.db2.gz JGOSUFLQVVUMFB-UHFFFAOYSA-N 1 0 345.783 2.025 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602173421 469225204 /nfs/dbraw/zinc/22/52/04/469225204.db2.gz PZJXDHMGAWQBGV-CVEARBPZSA-N 1 0 347.415 2.403 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000596425662 469262020 /nfs/dbraw/zinc/26/20/20/469262020.db2.gz UCIWGIFRINQUOC-UHFFFAOYSA-N 1 0 331.420 2.438 10 5 EEBERO CN1CCN(Cc2ccccc2)[C@@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000596551647 469298512 /nfs/dbraw/zinc/29/85/12/469298512.db2.gz LTLDTUCDXAPIHL-INIZCTEOSA-N 1 0 341.415 2.218 10 5 EEBERO COc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)ccc1[N+](=O)[O-] ZINC000599630053 469316541 /nfs/dbraw/zinc/31/65/41/469316541.db2.gz LYIPGCFGDRBYQA-DYVFJYSZSA-N 1 0 345.355 2.324 10 5 EEBERO O=c1ccc([C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000599640872 469320166 /nfs/dbraw/zinc/32/01/66/469320166.db2.gz IDQJBRDCUMBCMY-HNNXBMFYSA-N 1 0 330.344 2.306 10 5 EEBERO COC(=O)[C@@](C)(NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599651121 469323776 /nfs/dbraw/zinc/32/37/76/469323776.db2.gz HDGLTKJJODBPLC-SFHVURJKSA-N 1 0 349.431 2.449 10 5 EEBERO NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766094974 577512806 /nfs/dbraw/zinc/51/28/06/577512806.db2.gz QJFSCEQZCPIGKE-UKRRQHHQSA-N 1 0 346.431 2.197 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000750728498 577741862 /nfs/dbraw/zinc/74/18/62/577741862.db2.gz QWDGCZIFFZLKKM-INIZCTEOSA-N 1 0 347.415 2.276 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000749673388 577979697 /nfs/dbraw/zinc/97/96/97/577979697.db2.gz FHDNHBSNTCWZGX-KRWDZBQOSA-N 1 0 342.399 2.282 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176251202 677803683 /nfs/dbraw/zinc/80/36/83/677803683.db2.gz VHYISBLKXKTRCQ-LLVKDONJSA-N 1 0 341.795 2.089 10 5 EEBERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178865947 681282273 /nfs/dbraw/zinc/28/22/73/681282273.db2.gz GMWZKKGEDUMXBT-ZFWWWQNUSA-N 1 0 336.388 2.292 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000899557542 693790915 /nfs/dbraw/zinc/79/09/15/693790915.db2.gz UFNSBBDDDQQQBZ-UHFFFAOYSA-N 1 0 347.419 2.122 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898833444 693475333 /nfs/dbraw/zinc/47/53/33/693475333.db2.gz SSTYNJNBLCUPSJ-LSDHHAIUSA-N 1 0 333.388 2.206 10 5 EEBERO CCC[N@H+](CCNC(=O)c1n[nH]cc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266560403 1176846043 /nfs/dbraw/zinc/84/60/43/1176846043.db2.gz LKKOLEGUWGSIPA-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO Cc1ccc2ccccc2c1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001691315040 1177893211 /nfs/dbraw/zinc/89/32/11/1177893211.db2.gz QKDUHLJHXFLZTA-SJLPKXTDSA-N 1 0 341.411 2.361 10 5 EEBERO COC1(CC(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001267366401 1178855881 /nfs/dbraw/zinc/85/58/81/1178855881.db2.gz FXZSJJFUWDSWIC-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO Cc1ccncc1CC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001481241111 1180408729 /nfs/dbraw/zinc/40/87/29/1180408729.db2.gz LGTDMVSDZDPFRO-UHFFFAOYSA-N 1 0 342.399 2.089 10 5 EEBERO Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001482984797 1187939477 /nfs/dbraw/zinc/93/94/77/1187939477.db2.gz VBYOVGORBCLWGY-IHWYPQMZSA-N 1 0 340.383 2.374 10 5 EEBERO CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001671050281 1193554148 /nfs/dbraw/zinc/55/41/48/1193554148.db2.gz PJRMPELGRFFXAA-HZPDHXFCSA-N 1 0 337.464 2.402 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872281987 1198128260 /nfs/dbraw/zinc/12/82/60/1198128260.db2.gz YQERPHAPSRRGJG-MRXNPFEDSA-N 1 0 335.404 2.180 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000870508537 1200715033 /nfs/dbraw/zinc/71/50/33/1200715033.db2.gz KLOQPNVSSINSNN-UHFFFAOYSA-N 1 0 347.415 2.308 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000870552642 1200740078 /nfs/dbraw/zinc/74/00/78/1200740078.db2.gz XIAASZGQOCXAKP-AWEZNQCLSA-N 1 0 332.360 2.278 10 5 EEBERO CC[C@H](C[NH+](C)C)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000870551986 1200740183 /nfs/dbraw/zinc/74/01/83/1200740183.db2.gz RJYFSBFRCVCVIT-CQSZACIVSA-N 1 0 346.387 2.492 10 5 EEBERO COc1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc([N+](=O)[O-])c1C ZINC000871157177 1201077184 /nfs/dbraw/zinc/07/71/84/1201077184.db2.gz VPAUZJGJYFJXDP-UHFFFAOYSA-N 1 0 335.404 2.468 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000880182917 1201414490 /nfs/dbraw/zinc/41/44/90/1201414490.db2.gz FCNDCFWUQAONCR-UXLLHSPISA-N 1 0 334.372 2.046 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000868282849 1201782868 /nfs/dbraw/zinc/78/28/68/1201782868.db2.gz JBKLUEYAMMYPMQ-HNNXBMFYSA-N 1 0 332.404 2.187 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887938897 1204513813 /nfs/dbraw/zinc/51/38/13/1204513813.db2.gz FJPPYOGZVBIMJW-IIVZCXTMSA-N 1 0 329.400 2.108 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1C ZINC000928448919 1206385962 /nfs/dbraw/zinc/38/59/62/1206385962.db2.gz DRYRDJVPGDBPRB-XJKSGUPXSA-N 1 0 346.431 2.408 10 5 EEBERO CC1(C)CN(C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000930141186 1206537192 /nfs/dbraw/zinc/53/71/92/1206537192.db2.gz TYEXAPBQBZQXFK-UHFFFAOYSA-N 1 0 347.415 2.197 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000902903703 1238998066 /nfs/dbraw/zinc/99/80/66/1238998066.db2.gz CGDQRCSAEQDMLR-ZIAGYGMSSA-N 1 0 336.417 2.296 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000903529381 1240816087 /nfs/dbraw/zinc/81/60/87/1240816087.db2.gz ZWWOJLLGKZUGGL-ZDUSSCGKSA-N 1 0 338.383 2.136 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3C[C@@H](O)C34CCC4)CC2)cc1 ZINC000850546667 1277262748 /nfs/dbraw/zinc/26/27/48/1277262748.db2.gz NXMZHBCCTNRCEA-DLBZAZTESA-N 1 0 331.416 2.457 10 5 EEBERO O=C(CC[NH2+][C@H]1CCCn2nccc21)Nc1ccccc1[N+](=O)[O-] ZINC001197239348 1284515190 /nfs/dbraw/zinc/51/51/90/1284515190.db2.gz NPNDXCWCDNFKDZ-LBPRGKRZSA-N 1 0 329.360 2.245 10 5 EEBERO CC(C)(C)OCC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001488731901 1290153465 /nfs/dbraw/zinc/15/34/65/1290153465.db2.gz YHHCGVQQWQUKIB-GASCZTMLSA-N 1 0 349.431 2.394 10 5 EEBERO Cc1ccc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1Br ZINC000798217613 1304950580 /nfs/dbraw/zinc/95/05/80/1304950580.db2.gz VEHYNSQXBHUNEA-ZDUSSCGKSA-N 1 0 346.225 2.390 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000798268048 1304966014 /nfs/dbraw/zinc/96/60/14/1304966014.db2.gz NVOKXTWQOAVOEP-GFCCVEGCSA-N 1 0 343.811 2.071 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001150119505 1316165484 /nfs/dbraw/zinc/16/54/84/1316165484.db2.gz DVVHMQQUXLMVET-YPMHNXCESA-N 1 0 333.388 2.206 10 5 EEBERO Cc1cc(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC001263620398 1322496049 /nfs/dbraw/zinc/49/60/49/1322496049.db2.gz SYVPHFRFVWGPLU-HNNXBMFYSA-N 1 0 334.372 2.313 10 5 EEBERO CC(C)c1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001280815235 1324538566 /nfs/dbraw/zinc/53/85/66/1324538566.db2.gz YWIDKKHERFWBAY-NVXWUHKLSA-N 1 0 348.447 2.151 10 5 EEBERO COCCC(=O)N1CCC(C)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001281479876 1325151754 /nfs/dbraw/zinc/15/17/54/1325151754.db2.gz HXEPRKYWXCKOOC-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc2ccccc21 ZINC001492249110 1331112894 /nfs/dbraw/zinc/11/28/94/1331112894.db2.gz AXKZBXXFAGBIMP-IAGOWNOFSA-N 1 0 327.384 2.053 10 5 EEBERO O=C(NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)C(F)F ZINC001318615317 1332568553 /nfs/dbraw/zinc/56/85/53/1332568553.db2.gz XJDDOKUOGUKPKG-UHFFFAOYSA-N 1 0 333.360 2.440 10 5 EEBERO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2nn(C)cc2[N+](=O)[O-])o1 ZINC001326081718 1334024463 /nfs/dbraw/zinc/02/44/63/1334024463.db2.gz YNMRYQIDFBWUHH-LLVKDONJSA-N 1 0 334.380 2.214 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001351834530 1337855376 /nfs/dbraw/zinc/85/53/76/1337855376.db2.gz BHKZPUHGMOSHFH-NWANDNLSSA-N 1 0 332.404 2.076 10 5 EEBERO C[C@@]1(O)CCC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000848487890 1338707933 /nfs/dbraw/zinc/70/79/33/1338707933.db2.gz ZVSAEYMTEKMICQ-SJLPKXTDSA-N 1 0 347.415 2.105 10 5 EEBERO Cc1c(NC(=O)CCN(C)Cc2ccn(C)n2)cccc1[N+](=O)[O-] ZINC001620662397 1352361419 /nfs/dbraw/zinc/36/14/19/1352361419.db2.gz CNJJQBSRYQVKIA-UHFFFAOYSA-N 1 0 331.376 2.097 10 5 EEBERO C[NH+]1CCC2(CCN2C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001558791745 1342488832 /nfs/dbraw/zinc/48/88/32/1342488832.db2.gz KOMGULGYOVGBMQ-UHFFFAOYSA-N 1 0 337.807 2.487 10 5 EEBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001606973055 1351388404 /nfs/dbraw/zinc/38/84/04/1351388404.db2.gz ZPQYVZQCKCYGHT-UONOGXRCSA-N 1 0 348.403 2.030 10 5 EEBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001621424836 1352367815 /nfs/dbraw/zinc/36/78/15/1352367815.db2.gz GPJPJZKUIDLZSP-FQDRTLPPSA-N 1 0 331.372 2.428 10 5 EEBERO COc1ccc(NC(=O)c2ccc(C[NH+](C)C)nc2)cc1[N+](=O)[O-] ZINC001623743033 1352403896 /nfs/dbraw/zinc/40/38/96/1352403896.db2.gz FISGPEZPXMQANJ-UHFFFAOYSA-N 1 0 330.344 2.312 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001625506658 1352450463 /nfs/dbraw/zinc/45/04/63/1352450463.db2.gz IXXSLZFDHIJITJ-MBNYWOFBSA-N 1 0 334.420 2.394 10 5 EEBERO C[C@]1(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001640233553 1352707656 /nfs/dbraw/zinc/70/76/56/1352707656.db2.gz DIKYYHKHURBOLX-HNNXBMFYSA-N 1 0 338.795 2.045 10 5 EEBERO O=[N+]([O-])c1c(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)nc2ccccn21 ZINC001652186059 1354080782 /nfs/dbraw/zinc/08/07/82/1354080782.db2.gz FBTHZTZDDPXGSU-AWEZNQCLSA-N 1 0 339.355 2.099 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000262763372 769297116 /nfs/dbraw/zinc/29/71/16/769297116.db2.gz KDVHZPRJTNIQNH-UHFFFAOYSA-N 1 0 349.840 2.162 10 5 EEBERO Cc1c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000073185330 784027995 /nfs/dbraw/zinc/02/79/95/784027995.db2.gz QFKRTACIASNBOU-AWEZNQCLSA-N 1 0 336.388 2.417 10 5 EEBERO C[C@@H]([NH2+]CCCNCc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817939190 785086702 /nfs/dbraw/zinc/08/67/02/785086702.db2.gz AEYUUKAWDNIYSY-CYBMUJFWSA-N 1 0 329.404 2.403 10 5 EEBERO CC[C@@H]1[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC[N@@H+]1C ZINC000911472009 787465739 /nfs/dbraw/zinc/46/57/39/787465739.db2.gz BTDSHUZFUCPVFR-GXFFZTMASA-N 1 0 327.331 2.220 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCn4ccnc43)CC2)cc1 ZINC000824527444 788202525 /nfs/dbraw/zinc/20/25/25/788202525.db2.gz WCFJQMHJUYHIJZ-MRXNPFEDSA-N 1 0 327.388 2.495 10 5 EEBERO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000844646599 789290291 /nfs/dbraw/zinc/29/02/91/789290291.db2.gz VKRHSFAFUNHBOO-IJLUTSLNSA-N 1 0 339.367 2.052 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913934006 794609266 /nfs/dbraw/zinc/60/92/66/794609266.db2.gz YSLWOPACLHOFFB-HNNXBMFYSA-N 1 0 340.401 2.098 10 5 EEBERO C[C@@](CO)([NH2+]CCC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001175324202 798075810 /nfs/dbraw/zinc/07/58/10/798075810.db2.gz UGDOFKUYHLKGHC-SFHVURJKSA-N 1 0 343.383 2.421 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000823384003 798726106 /nfs/dbraw/zinc/72/61/06/798726106.db2.gz JMJDHVOFABAJJR-UHFFFAOYSA-N 1 0 349.387 2.043 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCC(C)(C)CC1 ZINC001566453559 1125613089 /nfs/dbraw/zinc/61/30/89/1125613089.db2.gz PAJRKWHPBGKDJA-HUUCEWRRSA-N 1 0 325.453 2.306 10 5 EEBERO Cc1c(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)ccn1C ZINC001566488094 1125649372 /nfs/dbraw/zinc/64/93/72/1125649372.db2.gz HFGWLCILRSTKKN-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001441526228 1095230548 /nfs/dbraw/zinc/23/05/48/1095230548.db2.gz WVGPOMKXEKYNMW-JTQLQIEISA-N 1 0 343.815 2.356 10 5 EEBERO CCc1ncsc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001493570746 1108335103 /nfs/dbraw/zinc/33/51/03/1108335103.db2.gz BRKULJLSSQDXTC-UHFFFAOYSA-N 1 0 348.428 2.476 10 5 EEBERO Cc1noc(CN[C@H](c2ccncc2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC001460518409 1110301771 /nfs/dbraw/zinc/30/17/71/1110301771.db2.gz QJPMVWIPPQUXAU-OAHLLOKOSA-N 1 0 332.360 2.280 10 5 EEBERO C[NH+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccnc1 ZINC001472883531 1110565260 /nfs/dbraw/zinc/56/52/60/1110565260.db2.gz YEEBEWLJEQSDDC-OAHLLOKOSA-N 1 0 343.387 2.194 10 5 EEBERO CC(C)(O)CC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001567998023 1124222205 /nfs/dbraw/zinc/22/22/05/1124222205.db2.gz XVIFHLGQMXEFGA-UHFFFAOYSA-N 1 0 349.431 2.274 10 5 EEBERO CCN(CC[NH2+]Cc1ccc(C(C)C)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568741502 1124754859 /nfs/dbraw/zinc/75/48/59/1124754859.db2.gz AIIFGVFORBSVSM-IAGOWNOFSA-N 1 0 333.432 2.413 10 5 EEBERO O=C(CC(F)(F)F)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001568824271 1124842618 /nfs/dbraw/zinc/84/26/18/1124842618.db2.gz XZVVRJKXQCKRTK-OWOJBTEDSA-N 1 0 331.294 2.309 10 5 EEBERO C[NH2+][C@](C)(CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440744 214056602 /nfs/dbraw/zinc/05/66/02/214056602.db2.gz VPHYMDFMGUUPPT-GFCCVEGCSA-N 1 0 336.175 2.134 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000191651481 237266223 /nfs/dbraw/zinc/26/62/23/237266223.db2.gz LDJZZZPJFCORHN-UHFFFAOYSA-N 1 0 349.435 2.338 10 5 EEBERO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045623409 213745295 /nfs/dbraw/zinc/74/52/95/213745295.db2.gz RQYHLSMZQVJYHN-JTQLQIEISA-N 1 0 342.193 2.311 10 5 EEBERO Cc1ccc(F)c(C[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000095409659 218346836 /nfs/dbraw/zinc/34/68/36/218346836.db2.gz MEQHFCXGBVYLRB-IRXDYDNUSA-N 1 0 334.347 2.226 10 5 EEBERO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415686523 532965560 /nfs/dbraw/zinc/96/55/60/532965560.db2.gz AMJURISTJKZHJQ-SECBINFHSA-N 1 0 343.181 2.183 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000117632655 221079287 /nfs/dbraw/zinc/07/92/87/221079287.db2.gz KYQIYXLNZPKIJE-CQSZACIVSA-N 1 0 337.807 2.487 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117762290 221087922 /nfs/dbraw/zinc/08/79/22/221087922.db2.gz XVLIUKJJLNQODP-LLVKDONJSA-N 1 0 325.796 2.249 10 5 EEBERO COC(=O)c1cnc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357684250 153287012 /nfs/dbraw/zinc/28/70/12/153287012.db2.gz OYPUECDDECDNTN-RYUDHWBXSA-N 1 0 336.392 2.451 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000119563063 159379838 /nfs/dbraw/zinc/37/98/38/159379838.db2.gz BNPCJZVZWUDOET-CYBMUJFWSA-N 1 0 345.403 2.321 10 5 EEBERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000246245824 160269936 /nfs/dbraw/zinc/26/99/36/160269936.db2.gz JJTXGZNCAIYPSP-IINYFYTJSA-N 1 0 339.342 2.429 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344765526 161244263 /nfs/dbraw/zinc/24/42/63/161244263.db2.gz CKXXAELRZNJNGB-GFCCVEGCSA-N 1 0 332.404 2.245 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352430799 162133387 /nfs/dbraw/zinc/13/33/87/162133387.db2.gz IWZRVRZDOGLFBX-RYUDHWBXSA-N 1 0 349.387 2.316 10 5 EEBERO O=C(NCC[NH+]1CCCCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359035130 164042166 /nfs/dbraw/zinc/04/21/66/164042166.db2.gz AYJAKPPPGDAHDS-UHFFFAOYSA-N 1 0 343.330 2.412 10 5 EEBERO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360877487 164395505 /nfs/dbraw/zinc/39/55/05/164395505.db2.gz PVTZIBJZSASGKK-NSHDSACASA-N 1 0 347.462 2.151 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366632936 165821536 /nfs/dbraw/zinc/82/15/36/165821536.db2.gz ROJKSZGXFFGTBT-DOMZBBRYSA-N 1 0 333.388 2.208 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000343636784 274004794 /nfs/dbraw/zinc/00/47/94/274004794.db2.gz UVALLLUVERHRTG-TZMCWYRMSA-N 1 0 333.388 2.444 10 5 EEBERO C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H]1C[NH3+] ZINC000093434378 290455445 /nfs/dbraw/zinc/45/54/45/290455445.db2.gz QSNURUHVVYMACT-GZMMTYOYSA-N 1 0 329.198 2.316 10 5 EEBERO Cc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301744447 294889761 /nfs/dbraw/zinc/88/97/61/294889761.db2.gz NFEQLXRULKAUMN-OAHLLOKOSA-N 1 0 334.420 2.379 10 5 EEBERO CN(C)c1ncccc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000159756036 311345771 /nfs/dbraw/zinc/34/57/71/311345771.db2.gz XUHMBIZPWUDFBT-UHFFFAOYSA-N 1 0 343.387 2.098 10 5 EEBERO Cc1cc(NC[C@H]2CCN(C)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425268244 314369092 /nfs/dbraw/zinc/36/90/92/314369092.db2.gz ONIMMIIKRRUDLV-LBPRGKRZSA-N 1 0 328.372 2.154 10 5 EEBERO COC[C@](C)(CCO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425424864 314391570 /nfs/dbraw/zinc/39/15/70/314391570.db2.gz PZRJISQSUWQYIT-ZDUSSCGKSA-N 1 0 347.209 2.234 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000441273926 315177627 /nfs/dbraw/zinc/17/76/27/315177627.db2.gz DXTUUGORQYGYEA-LSDHHAIUSA-N 1 0 347.415 2.306 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000539808573 318063743 /nfs/dbraw/zinc/06/37/43/318063743.db2.gz FFFWNFGRPILHRS-CQSZACIVSA-N 1 0 330.388 2.402 10 5 EEBERO CC[NH+]1CCC(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000562324416 318869647 /nfs/dbraw/zinc/86/96/47/318869647.db2.gz SICJGSIJWSDEKZ-UHFFFAOYSA-N 1 0 341.358 2.264 10 5 EEBERO [NH3+]CC12CCC(CC1)CN2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000563895841 319053696 /nfs/dbraw/zinc/05/36/96/319053696.db2.gz WAFWGPXHBTXRCI-UHFFFAOYSA-N 1 0 333.388 2.094 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341204000 465052403 /nfs/dbraw/zinc/05/24/03/465052403.db2.gz DPBYBTPGWMROFB-CHWSQXEVSA-N 1 0 341.433 2.136 10 5 EEBERO C[NH+](C)Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000339252118 465167528 /nfs/dbraw/zinc/16/75/28/465167528.db2.gz WRLXWVHQSLTUBR-UHFFFAOYSA-N 1 0 328.372 2.024 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000054462389 463236944 /nfs/dbraw/zinc/23/69/44/463236944.db2.gz PLNURIQGEBBJRZ-OAHLLOKOSA-N 1 0 342.399 2.201 10 5 EEBERO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000160912877 463381900 /nfs/dbraw/zinc/38/19/00/463381900.db2.gz CBNYNYJMHRCZII-KGLIPLIRSA-N 1 0 347.415 2.482 10 5 EEBERO CCn1cnnc1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000105928617 463498561 /nfs/dbraw/zinc/49/85/61/463498561.db2.gz GGVBWJKQUDVJMP-UHFFFAOYSA-N 1 0 345.403 2.465 10 5 EEBERO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000125411996 463541645 /nfs/dbraw/zinc/54/16/45/463541645.db2.gz VGKIFMLGYZFNDL-CYBMUJFWSA-N 1 0 347.375 2.177 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000170864142 463726949 /nfs/dbraw/zinc/72/69/49/463726949.db2.gz PUEQGMHPHAHGRU-CYBMUJFWSA-N 1 0 346.412 2.494 10 5 EEBERO C[C@H](NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262119603 463952848 /nfs/dbraw/zinc/95/28/48/463952848.db2.gz BTFILWGKWXXMJP-FGVQXAILSA-N 1 0 347.415 2.305 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000179875274 464202301 /nfs/dbraw/zinc/20/23/01/464202301.db2.gz AQCWVTZBGXHGKA-HNNXBMFYSA-N 1 0 349.431 2.097 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C1CC1 ZINC000180584805 464342009 /nfs/dbraw/zinc/34/20/09/464342009.db2.gz VVNHISFVAZATRO-CABCVRRESA-N 1 0 327.388 2.112 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000237571927 464342642 /nfs/dbraw/zinc/34/26/42/464342642.db2.gz PBPZIZQDQYXMSR-UHFFFAOYSA-N 1 0 341.433 2.233 10 5 EEBERO CC1(C)OCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295246590 464760457 /nfs/dbraw/zinc/76/04/57/464760457.db2.gz PXUWWZIJYXOKKL-LBPRGKRZSA-N 1 0 327.768 2.344 10 5 EEBERO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000266945245 464881526 /nfs/dbraw/zinc/88/15/26/464881526.db2.gz RELPHBHUSZRXDM-DQYPLSBCSA-N 1 0 348.378 2.374 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000348180971 465474817 /nfs/dbraw/zinc/47/48/17/465474817.db2.gz NLYQIDKHGAKLTH-HNNXBMFYSA-N 1 0 346.431 2.400 10 5 EEBERO CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348197614 465484438 /nfs/dbraw/zinc/48/44/38/465484438.db2.gz LLJKRSZCJIJGFI-OAHLLOKOSA-N 1 0 343.387 2.313 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCC[NH+]1CCCC1 ZINC000361007772 465695792 /nfs/dbraw/zinc/69/57/92/465695792.db2.gz SBOPYEMNPDGNJI-UHFFFAOYSA-N 1 0 327.331 2.018 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1 ZINC000362685376 465937859 /nfs/dbraw/zinc/93/78/59/465937859.db2.gz RZCLARIVQXYHOZ-AWEZNQCLSA-N 1 0 334.420 2.296 10 5 EEBERO CC[NH+]1CCC(N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331153896 465958336 /nfs/dbraw/zinc/95/83/36/465958336.db2.gz VDGRMTGDFZVACP-UHFFFAOYSA-N 1 0 341.358 2.358 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000301412461 465960947 /nfs/dbraw/zinc/96/09/47/465960947.db2.gz BZKYSWKOGGTDSQ-HIFRSBDPSA-N 1 0 346.431 2.406 10 5 EEBERO COc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301726153 466018011 /nfs/dbraw/zinc/01/80/11/466018011.db2.gz PZOIBYVICMKAEO-HUUCEWRRSA-N 1 0 335.404 2.029 10 5 EEBERO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301850964 466045609 /nfs/dbraw/zinc/04/56/09/466045609.db2.gz PESWGUDFVSECKT-MRXNPFEDSA-N 1 0 334.420 2.379 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000555504511 468478623 /nfs/dbraw/zinc/47/86/23/468478623.db2.gz GPNIYKODOUORRG-LLVKDONJSA-N 1 0 339.342 2.112 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000594106008 468485852 /nfs/dbraw/zinc/48/58/52/468485852.db2.gz MZQICTRRCLSPHU-VDISTLRHSA-N 1 0 332.404 2.239 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000358062975 466424108 /nfs/dbraw/zinc/42/41/08/466424108.db2.gz IMACKQZAWIDZDU-UHFFFAOYSA-N 1 0 333.388 2.132 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000362029052 466497383 /nfs/dbraw/zinc/49/73/83/466497383.db2.gz RTWIARHLYODPDD-KURKYZTESA-N 1 0 344.415 2.468 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000358193469 466529292 /nfs/dbraw/zinc/52/92/92/466529292.db2.gz RJBGUSHDFOITIL-UHFFFAOYSA-N 1 0 332.404 2.089 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000411720114 466885927 /nfs/dbraw/zinc/88/59/27/466885927.db2.gz PEIHYCQDTFFCEO-BETUJISGSA-N 1 0 337.376 2.041 10 5 EEBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418420535 467107332 /nfs/dbraw/zinc/10/73/32/467107332.db2.gz BEQIOQUNLNAEFB-MRXNPFEDSA-N 1 0 342.399 2.479 10 5 EEBERO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000377675564 467112590 /nfs/dbraw/zinc/11/25/90/467112590.db2.gz KRZIPKLWWJKZBJ-CVEARBPZSA-N 1 0 349.822 2.480 10 5 EEBERO COC[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000452108943 467325953 /nfs/dbraw/zinc/32/59/53/467325953.db2.gz VNYZCMQDCCONHS-AWEZNQCLSA-N 1 0 347.415 2.232 10 5 EEBERO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450788326 467907651 /nfs/dbraw/zinc/90/76/51/467907651.db2.gz DFRCNSXSSAUXAW-BETUJISGSA-N 1 0 330.388 2.034 10 5 EEBERO CN1CC[NH+](CCCCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000516902716 468053783 /nfs/dbraw/zinc/05/37/83/468053783.db2.gz JCPLLUNPFJZRMH-UHFFFAOYSA-N 1 0 343.431 2.004 10 5 EEBERO CN(c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000569757193 468538649 /nfs/dbraw/zinc/53/86/49/468538649.db2.gz VSIJTEIPBFRUTQ-FOSCPWQOSA-N 1 0 343.387 2.305 10 5 EEBERO C[C@]1(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594731994 468667068 /nfs/dbraw/zinc/66/70/68/468667068.db2.gz IXSNEARWJVLXSM-FZMZJTMJSA-N 1 0 330.331 2.360 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000597920357 468711850 /nfs/dbraw/zinc/71/18/50/468711850.db2.gz ANWYMAFDMXBGDR-JTQLQIEISA-N 1 0 341.358 2.405 10 5 EEBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000592529451 468721512 /nfs/dbraw/zinc/72/15/12/468721512.db2.gz ZXOPWLKEQGADBO-CQSZACIVSA-N 1 0 345.321 2.404 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC000601101868 468741316 /nfs/dbraw/zinc/74/13/16/468741316.db2.gz WKZDUCQVONYUFR-UHFFFAOYSA-N 1 0 333.314 2.386 10 5 EEBERO CC[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601107848 468743903 /nfs/dbraw/zinc/74/39/03/468743903.db2.gz BHEZFMOKWOCSQW-VIFPVBQESA-N 1 0 335.330 2.491 10 5 EEBERO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[N@@H+]1C1CC1 ZINC000601127652 468752647 /nfs/dbraw/zinc/75/26/47/468752647.db2.gz MLQAHIHCABZGAU-JGVFFNPUSA-N 1 0 333.314 2.384 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000601131291 468755179 /nfs/dbraw/zinc/75/51/79/468755179.db2.gz VXDRIQQNOMGFOZ-UWVGGRQHSA-N 1 0 347.341 2.268 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC12CCC[NH+]1CCC2 ZINC000601155809 468763668 /nfs/dbraw/zinc/76/36/68/468763668.db2.gz GTVAPAPCELAWBY-UHFFFAOYSA-N 1 0 333.314 2.387 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595224807 468788673 /nfs/dbraw/zinc/78/86/73/468788673.db2.gz HINHEHFQCIWMFQ-GJZGRUSLSA-N 1 0 347.415 2.354 10 5 EEBERO CCc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592898669 468819035 /nfs/dbraw/zinc/81/90/35/468819035.db2.gz MBAOQTZVDAZZAO-UHFFFAOYSA-N 1 0 347.415 2.094 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335433 468830728 /nfs/dbraw/zinc/83/07/28/468830728.db2.gz UIKGCZKRSKOWBM-YOEHRIQHSA-N 1 0 346.431 2.306 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000595635482 468932962 /nfs/dbraw/zinc/93/29/62/468932962.db2.gz VJZWYFIKYDSKEU-JMSVASOKSA-N 1 0 326.368 2.390 10 5 EEBERO C[C@]12COC[C@H]1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000595756166 468992143 /nfs/dbraw/zinc/99/21/43/468992143.db2.gz FFIZUMHBDWMOHA-WBMJQRKESA-N 1 0 330.344 2.113 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000572870343 469013589 /nfs/dbraw/zinc/01/35/89/469013589.db2.gz MIVFKLDRENJKEQ-BPQIPLTHSA-N 1 0 328.368 2.480 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610903977 469109015 /nfs/dbraw/zinc/10/90/15/469109015.db2.gz DDYNMRQCOKVNPA-LLVKDONJSA-N 1 0 342.193 2.181 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599101084 469119419 /nfs/dbraw/zinc/11/94/19/469119419.db2.gz MEUPHAAGMGOHEP-UHFFFAOYSA-N 1 0 331.420 2.438 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000599138387 469133598 /nfs/dbraw/zinc/13/35/98/469133598.db2.gz AXFHBOLSWGBWTH-CQSZACIVSA-N 1 0 328.372 2.685 10 5 EEBERO C[C@H](O)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596068556 469138363 /nfs/dbraw/zinc/13/83/63/469138363.db2.gz YYSKEVNRORURJF-OWQGQXMQSA-N 1 0 346.383 2.046 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588835210 469169732 /nfs/dbraw/zinc/16/97/32/469169732.db2.gz JDCWETMUOUULKY-LBPRGKRZSA-N 1 0 333.392 2.043 10 5 EEBERO CO[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCOC1 ZINC000596319118 469242366 /nfs/dbraw/zinc/24/23/66/469242366.db2.gz UDQXLNHWYLBOPW-PXAZEXFGSA-N 1 0 331.372 2.337 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596362000 469250525 /nfs/dbraw/zinc/25/05/25/469250525.db2.gz XQSCDEWAYOVFKC-ZDUSSCGKSA-N 1 0 346.435 2.222 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000596425865 469262650 /nfs/dbraw/zinc/26/26/50/469262650.db2.gz XQCHYCGESDRYNP-UHFFFAOYSA-N 1 0 331.420 2.438 10 5 EEBERO Cc1cccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)c1 ZINC000599627330 469315335 /nfs/dbraw/zinc/31/53/35/469315335.db2.gz KKHISESDKDMFNH-SJORKVTESA-N 1 0 332.404 2.448 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000619872759 469693368 /nfs/dbraw/zinc/69/33/68/469693368.db2.gz JTUXDEITFGSTGN-UHFFFAOYSA-N 1 0 332.404 2.017 10 5 EEBERO Cc1c(C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000895344649 684521594 /nfs/dbraw/zinc/52/15/94/684521594.db2.gz NHNYYYMFTCFTKC-HNNXBMFYSA-N 1 0 332.404 2.283 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC000896110200 684844860 /nfs/dbraw/zinc/84/48/60/684844860.db2.gz NJCJACSBAMCIBG-CYBMUJFWSA-N 1 0 342.399 2.496 10 5 EEBERO Cc1nc(CC(=O)NCCN(C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC001690994411 1176434882 /nfs/dbraw/zinc/43/48/82/1176434882.db2.gz DYHUSOPTROXMEN-UHFFFAOYSA-N 1 0 348.428 2.150 10 5 EEBERO CCc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC001267457518 1179041172 /nfs/dbraw/zinc/04/11/72/1179041172.db2.gz JMFWZGZHIOQWKZ-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCCC1 ZINC001481350953 1181095021 /nfs/dbraw/zinc/09/50/21/1181095021.db2.gz SXKFQITXDYANRU-HZPDHXFCSA-N 1 0 325.453 2.449 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268536308 1183197775 /nfs/dbraw/zinc/19/77/75/1183197775.db2.gz YKLMDKMTCBVAKX-VVLQMEIQSA-N 1 0 340.383 2.398 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2cccc(F)c2)CC1 ZINC001269859414 1184675943 /nfs/dbraw/zinc/67/59/43/1184675943.db2.gz SSANWKZMFQBQCM-IAGOWNOFSA-N 1 0 349.406 2.209 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)c1 ZINC000863725859 1197839815 /nfs/dbraw/zinc/83/98/15/1197839815.db2.gz ARFMGCQDLGOWCH-ROUUACIJSA-N 1 0 328.368 2.192 10 5 EEBERO O=C1OCC[C@@H]1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000872114077 1198048941 /nfs/dbraw/zinc/04/89/41/1198048941.db2.gz TWWJKVNTRKKPPB-IHRRRGAJSA-N 1 0 336.392 2.208 10 5 EEBERO Cn1cc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2cccnc21 ZINC000872233915 1198103359 /nfs/dbraw/zinc/10/33/59/1198103359.db2.gz IOXZBZNUCZJUKM-QGZVFWFLSA-N 1 0 340.383 2.347 10 5 EEBERO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000865740108 1198354420 /nfs/dbraw/zinc/35/44/20/1198354420.db2.gz BLDVYCFSDDBSBO-SCLBCKFNSA-N 1 0 345.399 2.194 10 5 EEBERO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000869769786 1200267304 /nfs/dbraw/zinc/26/73/04/1200267304.db2.gz BQIKCAOHYPWRFR-UHFFFAOYSA-N 1 0 349.431 2.334 10 5 EEBERO C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000870789743 1200881945 /nfs/dbraw/zinc/88/19/45/1200881945.db2.gz JJOMUBADQYLVGN-OLZOCXBDSA-N 1 0 338.408 2.333 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCN1CCOC1=O ZINC000866258025 1201477755 /nfs/dbraw/zinc/47/77/55/1201477755.db2.gz PKAAZGBHFYPCBR-LLVKDONJSA-N 1 0 325.340 2.097 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880515389 1201509462 /nfs/dbraw/zinc/50/94/62/1201509462.db2.gz KTWPERXGSDOEAY-XKQJLSEDSA-N 1 0 336.388 2.026 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H](O)C(F)F)CC2)cc1 ZINC000866442247 1201519066 /nfs/dbraw/zinc/51/90/66/1201519066.db2.gz HSVJIYCFOCBSDP-CQSZACIVSA-N 1 0 329.347 2.169 10 5 EEBERO CCC[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866518575 1201538444 /nfs/dbraw/zinc/53/84/44/1201538444.db2.gz BTIPBWZBVAJZCS-DOTOQJQBSA-N 1 0 349.387 2.247 10 5 EEBERO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001149051036 1202192058 /nfs/dbraw/zinc/19/20/58/1202192058.db2.gz KJJSQAOONMQAFE-LRDDRELGSA-N 1 0 334.420 2.369 10 5 EEBERO Cn1c(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000928013415 1206326617 /nfs/dbraw/zinc/32/66/17/1206326617.db2.gz ORGUVUMZDBGCHB-UHFFFAOYSA-N 1 0 334.420 2.460 10 5 EEBERO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ccc1[N+](=O)[O-] ZINC000928102005 1206344086 /nfs/dbraw/zinc/34/40/86/1206344086.db2.gz KXZXRINYDPBPQN-HIFRSBDPSA-N 1 0 335.429 2.213 10 5 EEBERO COC[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000929995262 1206526908 /nfs/dbraw/zinc/52/69/08/1206526908.db2.gz ZCVDJQGAWXWEIO-MRXNPFEDSA-N 1 0 349.431 2.271 10 5 EEBERO COc1cc(C[N@@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000930911198 1206591878 /nfs/dbraw/zinc/59/18/78/1206591878.db2.gz LVXZOBXLTMGSAR-JFGNBEQYSA-N 1 0 339.367 2.217 10 5 EEBERO CC(C)SCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001490871366 1211029315 /nfs/dbraw/zinc/02/93/15/1211029315.db2.gz HIDWWIRANVKAIH-HDJSIYSDSA-N 1 0 337.445 2.473 10 5 EEBERO O=C(Cc1ccc[nH]1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001488797512 1290240808 /nfs/dbraw/zinc/24/08/08/1290240808.db2.gz DIPNYZUUVOUTKM-FZNQNYSPSA-N 1 0 342.399 2.150 10 5 EEBERO CC1(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000857767821 1293911579 /nfs/dbraw/zinc/91/15/79/1293911579.db2.gz IAWNVSFCHVSDEN-UHFFFAOYSA-N 1 0 343.330 2.072 10 5 EEBERO CCc1ccc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861347241 1295350608 /nfs/dbraw/zinc/35/06/08/1295350608.db2.gz OASHCPAJQMAWDF-WMLDXEAASA-N 1 0 336.388 2.423 10 5 EEBERO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000861347887 1295351355 /nfs/dbraw/zinc/35/13/55/1295351355.db2.gz BAHFUTKTJGIHRI-NVXWUHKLSA-N 1 0 336.388 2.180 10 5 EEBERO CCN(OC)C(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000843430527 1315914316 /nfs/dbraw/zinc/91/43/16/1315914316.db2.gz LZJSCZLJZYOPKO-HIFRSBDPSA-N 1 0 335.404 2.306 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnc(C)[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266028167 1323578493 /nfs/dbraw/zinc/57/84/93/1323578493.db2.gz KJVRMNDCHTZEPL-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO CCC[N@H+](CCNC(=O)c1c[nH]nc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317542761 1332291035 /nfs/dbraw/zinc/29/10/35/1332291035.db2.gz JXDOIHCERORDFW-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO CC(F)(F)CC(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001321235391 1333051432 /nfs/dbraw/zinc/05/14/32/1333051432.db2.gz HJGGTDXLZGVFRP-NSCUHMNNSA-N 1 0 327.331 2.402 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001350111112 1337675532 /nfs/dbraw/zinc/67/55/32/1337675532.db2.gz HOYPDCDVJZEQEO-UHFFFAOYSA-N 1 0 333.388 2.209 10 5 EEBERO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001630229235 1352566179 /nfs/dbraw/zinc/56/61/79/1352566179.db2.gz XLOKGGMWOMXSAW-ZDUSSCGKSA-N 1 0 334.420 2.419 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001631425084 1352583265 /nfs/dbraw/zinc/58/32/65/1352583265.db2.gz XYCHXKILSAZUBR-ZDUSSCGKSA-N 1 0 335.404 2.340 10 5 EEBERO Cc1n[nH]c(C(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC001632159891 1352594169 /nfs/dbraw/zinc/59/41/69/1352594169.db2.gz JEVGLXNIFSDKHQ-AWEZNQCLSA-N 1 0 349.435 2.353 10 5 EEBERO CN(c1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001639590572 1352699619 /nfs/dbraw/zinc/69/96/19/1352699619.db2.gz RMOBPFOHNKBPDQ-HNNXBMFYSA-N 1 0 329.404 2.429 10 5 EEBERO CN(C)CC[N@H+](C)CCCN(C)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001651121147 1354040370 /nfs/dbraw/zinc/04/03/70/1354040370.db2.gz WYDKUSLLBCVFTI-UHFFFAOYSA-N 1 0 345.447 2.463 10 5 EEBERO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001651769195 1354064578 /nfs/dbraw/zinc/06/45/78/1354064578.db2.gz FKHFFVBLGCPROM-CQSZACIVSA-N 1 0 347.415 2.449 10 5 EEBERO CC(=O)N1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001652352711 1354089559 /nfs/dbraw/zinc/08/95/59/1354089559.db2.gz SSMTYJCKQSMYLL-GFCCVEGCSA-N 1 0 332.360 2.084 10 5 EEBERO O=C(CC[N@@H+]1CC[C@H](c2ncccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654914899 1354161410 /nfs/dbraw/zinc/16/14/10/1354161410.db2.gz DBTBWWQGWHEQQB-ZDUSSCGKSA-N 1 0 341.371 2.203 10 5 EEBERO CCCSCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001661572638 1354660103 /nfs/dbraw/zinc/66/01/03/1354660103.db2.gz FSFUHIYLWWJLMR-OKILXGFUSA-N 1 0 337.445 2.475 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)c1cn[nH]c1)Cc1ccccc1[N+](=O)[O-] ZINC001664489204 1355175084 /nfs/dbraw/zinc/17/50/84/1355175084.db2.gz PFDCEKDQMLQCQQ-UHFFFAOYSA-N 1 0 345.403 2.348 10 5 EEBERO CCc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001673434435 1356690894 /nfs/dbraw/zinc/69/08/94/1356690894.db2.gz MYKUWMTXDUCIKI-IAGOWNOFSA-N 1 0 333.432 2.195 10 5 EEBERO CC(C)(C)OC(=O)c1ccccc1OCC[N+]12CCN(CC1)CC2 ZINC000183875852 717157535 /nfs/dbraw/zinc/15/75/35/717157535.db2.gz ZRPOIHXVAKPMDC-UHFFFAOYSA-N 1 0 333.452 2.167 10 5 EEBERO Cc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000073186662 784035422 /nfs/dbraw/zinc/03/54/22/784035422.db2.gz OPBJMHDMMJYPHV-HNNXBMFYSA-N 1 0 336.388 2.417 10 5 EEBERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819209183 785471680 /nfs/dbraw/zinc/47/16/80/785471680.db2.gz VADNUMDWWHXDSI-KRWDZBQOSA-N 1 0 332.404 2.201 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000819318589 785524421 /nfs/dbraw/zinc/52/44/21/785524421.db2.gz CAGKGFCYTMCCAU-HOCLYGCPSA-N 1 0 332.331 2.361 10 5 EEBERO C[N@H+](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)CC(C)(C)C ZINC001136253478 785661716 /nfs/dbraw/zinc/66/17/16/785661716.db2.gz JDKYYSUIPNKQRO-UHFFFAOYSA-N 1 0 348.447 2.221 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000823979948 788005736 /nfs/dbraw/zinc/00/57/36/788005736.db2.gz FFYVOAXHYYVQEB-RISCZKNCSA-N 1 0 335.408 2.371 10 5 EEBERO Cc1ccccc1[C@@H](CO)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001176176035 798364653 /nfs/dbraw/zinc/36/46/53/798364653.db2.gz OJANMHKFCHXLSL-QGZVFWFLSA-N 1 0 343.383 2.168 10 5 EEBERO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C12CC[NH+](CC1)C2 ZINC001455306823 1108408275 /nfs/dbraw/zinc/40/82/75/1108408275.db2.gz UJSFKOBFWMYTQB-UHFFFAOYSA-N 1 0 327.344 2.019 10 5 EEBERO C[NH+](C)C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC001463704592 1110378845 /nfs/dbraw/zinc/37/88/45/1110378845.db2.gz ZADVMYQVPNZIFX-UHFFFAOYSA-N 1 0 346.431 2.118 10 5 EEBERO Cc1ccc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)c(N)c1[N+](=O)[O-] ZINC001472227792 1110548238 /nfs/dbraw/zinc/54/82/38/1110548238.db2.gz ZTPNMKYLUVYGOY-ZDUSSCGKSA-N 1 0 344.375 2.228 10 5 EEBERO CCc1nc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC001499206642 1112178471 /nfs/dbraw/zinc/17/84/71/1112178471.db2.gz AZCIDSYDZUFBAC-UHFFFAOYSA-N 1 0 344.371 2.197 10 5 EEBERO COc1ccc(CC(=O)NCC23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC001520358916 1119149596 /nfs/dbraw/zinc/14/95/96/1119149596.db2.gz JIIHIMBTRKIXOT-UHFFFAOYSA-N 1 0 347.415 2.138 10 5 EEBERO COc1cc(C(=O)NCc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])cc1F ZINC001528281980 1120981639 /nfs/dbraw/zinc/98/16/39/1120981639.db2.gz IODQCHQHCXWJNH-UHFFFAOYSA-N 1 0 344.302 2.320 10 5 EEBERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001544199257 1124142928 /nfs/dbraw/zinc/14/29/28/1124142928.db2.gz KWAPJSDWDWKKCV-CHWSQXEVSA-N 1 0 334.420 2.275 10 5 EEBERO COc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001544902900 1124172195 /nfs/dbraw/zinc/17/21/95/1124172195.db2.gz JPTCTXUHFDMSQW-KGLIPLIRSA-N 1 0 335.404 2.340 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537121 529648920 /nfs/dbraw/zinc/64/89/20/529648920.db2.gz HPADXRZUOHXETO-YOEHRIQHSA-N 1 0 348.447 2.188 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181884038 530063804 /nfs/dbraw/zinc/06/38/04/530063804.db2.gz KPSWUJUPOIXQSZ-JTQLQIEISA-N 1 0 329.303 2.020 10 5 EEBERO CC(C)(C)c1nc2ccc([N+](=O)[O-])cn2c1CN1CCC[NH2+]CC1 ZINC000040686371 213369825 /nfs/dbraw/zinc/36/98/25/213369825.db2.gz JKWFRDNSGIGXQM-UHFFFAOYSA-N 1 0 331.420 2.335 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(-n4cncn4)cc3)nc2c1 ZINC000446853520 242226495 /nfs/dbraw/zinc/22/64/95/242226495.db2.gz VLXPVICZUTVBFQ-UHFFFAOYSA-N 1 0 349.354 2.342 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246779191 243316368 /nfs/dbraw/zinc/31/63/68/243316368.db2.gz BDXGPMUBGQHVGJ-GDBMZVCRSA-N 1 0 346.431 2.400 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264923996 247050152 /nfs/dbraw/zinc/05/01/52/247050152.db2.gz QLEJECLNTJMWEN-AWEZNQCLSA-N 1 0 332.404 2.019 10 5 EEBERO Cc1ccc(F)c(C[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000095409657 218346894 /nfs/dbraw/zinc/34/68/94/218346894.db2.gz MEQHFCXGBVYLRB-DLBZAZTESA-N 1 0 334.347 2.226 10 5 EEBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c2c(c1)COCO2 ZINC000355101013 285086410 /nfs/dbraw/zinc/08/64/10/285086410.db2.gz BTOCVXMOYBXVJS-WBMJQRKESA-N 1 0 334.372 2.462 10 5 EEBERO CC[NH+](CC)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000270726097 256165110 /nfs/dbraw/zinc/16/51/10/256165110.db2.gz BBXACLYXGUUYEE-CQSZACIVSA-N 1 0 345.403 2.141 10 5 EEBERO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000353241454 140965868 /nfs/dbraw/zinc/96/58/68/140965868.db2.gz VZGIKIHUFMQKEW-UHFFFAOYSA-N 1 0 332.404 2.411 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000172542436 152092374 /nfs/dbraw/zinc/09/23/74/152092374.db2.gz SUHGJDHYWRZZKY-UHFFFAOYSA-N 1 0 332.404 2.012 10 5 EEBERO C[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262119609 160440035 /nfs/dbraw/zinc/44/00/35/160440035.db2.gz BTFILWGKWXXMJP-ZJQCNOOHSA-N 1 0 347.415 2.305 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000104080100 159282755 /nfs/dbraw/zinc/28/27/55/159282755.db2.gz SVJXMQILYJGNRC-CQSZACIVSA-N 1 0 346.431 2.482 10 5 EEBERO C[C@H]1C[N@@H+](C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000193429893 160180945 /nfs/dbraw/zinc/18/09/45/160180945.db2.gz VMJQLIOMMCGGMM-ZDUSSCGKSA-N 1 0 337.395 2.419 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245468328 160237504 /nfs/dbraw/zinc/23/75/04/160237504.db2.gz KOYSAFBCYYQKTM-CZUORRHYSA-N 1 0 334.420 2.338 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000246873903 160299087 /nfs/dbraw/zinc/29/90/87/160299087.db2.gz FGOKRXFGNQTOAW-STQMWFEESA-N 1 0 348.359 2.202 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247352210 160321929 /nfs/dbraw/zinc/32/19/29/160321929.db2.gz JUESKHAKIZVPQK-BBRMVZONSA-N 1 0 335.404 2.162 10 5 EEBERO CCC[NH+]1CCC(CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000341853968 161018635 /nfs/dbraw/zinc/01/86/35/161018635.db2.gz PZJVCIZXQZNMPF-UHFFFAOYSA-N 1 0 336.392 2.310 10 5 EEBERO CO[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1C ZINC000342740212 161087118 /nfs/dbraw/zinc/08/71/18/161087118.db2.gz RATONQXXTRGACD-WBMJQRKESA-N 1 0 349.387 2.250 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000122605448 222122461 /nfs/dbraw/zinc/12/24/61/222122461.db2.gz FGVMAULNVUTWFM-IUODEOHRSA-N 1 0 335.404 2.406 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123808758 222334146 /nfs/dbraw/zinc/33/41/46/222334146.db2.gz SJPCSEIDKUVXKD-KGLIPLIRSA-N 1 0 334.420 2.256 10 5 EEBERO COc1cc(C(=O)N(CC[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000184172185 274019869 /nfs/dbraw/zinc/01/98/69/274019869.db2.gz PFCMJLXZIUBXCX-UHFFFAOYSA-N 1 0 329.356 2.205 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[N@H+](C)CC)c2)n1 ZINC000191783281 274052371 /nfs/dbraw/zinc/05/23/71/274052371.db2.gz XQAQFURTWAQHOE-UHFFFAOYSA-N 1 0 345.403 2.193 10 5 EEBERO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107529328 274976507 /nfs/dbraw/zinc/97/65/07/274976507.db2.gz HXFVASHUXGPMOF-MRXNPFEDSA-N 1 0 347.415 2.451 10 5 EEBERO O=[N+]([O-])c1ccc2sc([S@](=O)C[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092229 275039195 /nfs/dbraw/zinc/03/91/95/275039195.db2.gz MQAMDBRSOMYOLB-FPVGNUTFSA-N 1 0 325.415 2.454 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000171024081 311399778 /nfs/dbraw/zinc/39/97/78/311399778.db2.gz TXUAVAQXWIIMTA-HNNXBMFYSA-N 1 0 342.399 2.201 10 5 EEBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417707269 313572187 /nfs/dbraw/zinc/57/21/87/313572187.db2.gz AQSCCUIWCVJAFE-XJKSGUPXSA-N 1 0 334.420 2.215 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418002022 313684094 /nfs/dbraw/zinc/68/40/94/313684094.db2.gz YDIDCGRWTMDWCJ-ZWNOBZJWSA-N 1 0 340.811 2.088 10 5 EEBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000540969399 318088914 /nfs/dbraw/zinc/08/89/14/318088914.db2.gz CBMFDMGWYQSRHW-STQMWFEESA-N 1 0 332.404 2.373 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000577215873 320242653 /nfs/dbraw/zinc/24/26/53/320242653.db2.gz XRMNGAHDCSJUOH-SJORKVTESA-N 1 0 342.395 2.482 10 5 EEBERO COc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000577601094 320264926 /nfs/dbraw/zinc/26/49/26/320264926.db2.gz MRXWYPIXJQSHEO-HUUCEWRRSA-N 1 0 347.415 2.137 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(CF)CCOCC1)OCCO2 ZINC000590658515 468296196 /nfs/dbraw/zinc/29/61/96/468296196.db2.gz LYDUSWHBFBZYRD-UHFFFAOYSA-N 1 0 340.351 2.222 10 5 EEBERO C[C@@H]1C[C@@H](C)C[NH+](CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)C1 ZINC000521395205 468309788 /nfs/dbraw/zinc/30/97/88/468309788.db2.gz ZNVFGGYZYGJSJI-CHWSQXEVSA-N 1 0 330.388 2.283 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090068792 462771599 /nfs/dbraw/zinc/77/15/99/462771599.db2.gz DPQUIEBPGWGTEJ-HZMBPMFUSA-N 1 0 334.376 2.012 10 5 EEBERO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091407491 462877913 /nfs/dbraw/zinc/87/79/13/462877913.db2.gz BFKVZWMEJHEVGR-GFCCVEGCSA-N 1 0 349.412 2.136 10 5 EEBERO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000077356864 462973007 /nfs/dbraw/zinc/97/30/07/462973007.db2.gz HVSADKGAZIFLEP-UHFFFAOYSA-N 1 0 347.415 2.373 10 5 EEBERO CCn1cnnc1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105928641 463499357 /nfs/dbraw/zinc/49/93/57/463499357.db2.gz ZMKBUJWARBISTG-UHFFFAOYSA-N 1 0 345.403 2.465 10 5 EEBERO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107529324 463573606 /nfs/dbraw/zinc/57/36/06/463573606.db2.gz HXFVASHUXGPMOF-INIZCTEOSA-N 1 0 347.415 2.451 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2cc[nH]c(=O)c2C1 ZINC000276989200 463831645 /nfs/dbraw/zinc/83/16/45/463831645.db2.gz ULNFCJXGBHKOHE-UHFFFAOYSA-N 1 0 342.355 2.001 10 5 EEBERO CCCN(CCC[NH+](C)C)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287771429 463995035 /nfs/dbraw/zinc/99/50/35/463995035.db2.gz NTQIHWQHPARZEY-UHFFFAOYSA-N 1 0 338.408 2.253 10 5 EEBERO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000172765309 464140758 /nfs/dbraw/zinc/14/07/58/464140758.db2.gz IEWBZBMXSRQKLG-VXGBXAGGSA-N 1 0 336.392 2.085 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000175039828 464484468 /nfs/dbraw/zinc/48/44/68/464484468.db2.gz DPGPSIVDSQWJBO-WMLDXEAASA-N 1 0 346.431 2.116 10 5 EEBERO CCOc1cc(CN2CCO[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000285210556 464487906 /nfs/dbraw/zinc/48/79/06/464487906.db2.gz DPKFVZFJLKRSGY-KRWDZBQOSA-N 1 0 336.388 2.375 10 5 EEBERO CC[C@H]([NH2+]CC(=O)NC(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181545385 464504648 /nfs/dbraw/zinc/50/46/48/464504648.db2.gz STJKODOEQVOHET-AWEZNQCLSA-N 1 0 336.392 2.117 10 5 EEBERO Cn1nccc1C1=CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000285583348 464617958 /nfs/dbraw/zinc/61/79/58/464617958.db2.gz LDJSUMBKDGNQBM-QGZVFWFLSA-N 1 0 328.372 2.151 10 5 EEBERO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000285763354 464686630 /nfs/dbraw/zinc/68/66/30/464686630.db2.gz XKMPPARMFZMDGN-ZDUSSCGKSA-N 1 0 335.408 2.046 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000183238383 464829980 /nfs/dbraw/zinc/82/99/80/464829980.db2.gz NSENIJNIQNZDHG-UHFFFAOYSA-N 1 0 332.448 2.117 10 5 EEBERO CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251822643 464942719 /nfs/dbraw/zinc/94/27/19/464942719.db2.gz PJDPGZJLQDACFJ-WCBMZHEXSA-N 1 0 329.198 2.316 10 5 EEBERO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000347943128 465324238 /nfs/dbraw/zinc/32/42/38/465324238.db2.gz IDKPAEGHCFGBLR-HNNXBMFYSA-N 1 0 335.429 2.240 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593919391 468433480 /nfs/dbraw/zinc/43/34/80/468433480.db2.gz PVHYAYFDBYTGNC-HYVNUMGLSA-N 1 0 347.415 2.025 10 5 EEBERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593919261 468433812 /nfs/dbraw/zinc/43/38/12/468433812.db2.gz POCYBBHYZSTVGK-INMHGKMJSA-N 1 0 347.415 2.404 10 5 EEBERO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000366204253 465592126 /nfs/dbraw/zinc/59/21/26/465592126.db2.gz URTMZNNEUQASAK-OAHLLOKOSA-N 1 0 340.383 2.384 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597102482 468443927 /nfs/dbraw/zinc/44/39/27/468443927.db2.gz XPWPFHGCAFRWLX-UHFFFAOYSA-N 1 0 329.788 2.246 10 5 EEBERO Cc1sc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000330721450 465778063 /nfs/dbraw/zinc/77/80/63/465778063.db2.gz CCYVIWIKVUILJF-UHFFFAOYSA-N 1 0 341.433 2.148 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000371899523 466060408 /nfs/dbraw/zinc/06/04/08/466060408.db2.gz OWHPLHKKOWRECK-MRXNPFEDSA-N 1 0 330.388 2.259 10 5 EEBERO C[C@@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccccc1[N+](=O)[O-] ZINC000357933160 466328982 /nfs/dbraw/zinc/32/89/82/466328982.db2.gz ISSJNEUDWBBUBR-GHMZBOCLSA-N 1 0 329.360 2.236 10 5 EEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363419517 466392773 /nfs/dbraw/zinc/39/27/73/466392773.db2.gz VXNHTYDRCAJZQB-CRAIPNDOSA-N 1 0 332.448 2.368 10 5 EEBERO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000367684765 466490453 /nfs/dbraw/zinc/49/04/53/466490453.db2.gz OSOGZPWTTQMDDR-KBPBESRZSA-N 1 0 345.355 2.072 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000341056373 466546933 /nfs/dbraw/zinc/54/69/33/466546933.db2.gz JDDKMVNQJVICPI-OKILXGFUSA-N 1 0 335.404 2.353 10 5 EEBERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000368471695 466645422 /nfs/dbraw/zinc/64/54/22/466645422.db2.gz VMNXQDJLHCHTAW-DYVFJYSZSA-N 1 0 347.415 2.191 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@@H](C)O)C(C)C ZINC000411281607 466799134 /nfs/dbraw/zinc/79/91/34/466799134.db2.gz UGRFPOPBSLMACG-GFCCVEGCSA-N 1 0 339.392 2.023 10 5 EEBERO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])c1 ZINC000411826660 466911690 /nfs/dbraw/zinc/91/16/90/466911690.db2.gz XNNFVRGERPUHHW-JQWIXIFHSA-N 1 0 337.401 2.122 10 5 EEBERO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000370583086 466930641 /nfs/dbraw/zinc/93/06/41/466930641.db2.gz MGHAWVYWXFKEMN-UHFFFAOYSA-N 1 0 344.371 2.319 10 5 EEBERO CC(C)Oc1cc(C(=O)N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000412274103 467055892 /nfs/dbraw/zinc/05/58/92/467055892.db2.gz BPPKORVIOCXCIO-UHFFFAOYSA-N 1 0 333.388 2.302 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000589502285 468158570 /nfs/dbraw/zinc/15/85/70/468158570.db2.gz SUCDMVACWKSWKV-AWEZNQCLSA-N 1 0 347.415 2.299 10 5 EEBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1COCCOC1 ZINC000589949767 468198393 /nfs/dbraw/zinc/19/83/93/468198393.db2.gz NMXKYXHKMDYGJJ-GFCCVEGCSA-N 1 0 326.418 2.471 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590442054 468257582 /nfs/dbraw/zinc/25/75/82/468257582.db2.gz GBRBUWZZNYUOCI-TVQRCGJNSA-N 1 0 343.305 2.390 10 5 EEBERO C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000600315902 468531252 /nfs/dbraw/zinc/53/12/52/468531252.db2.gz WYBRTAUQMNTSPF-NSHDSACASA-N 1 0 341.358 2.264 10 5 EEBERO COc1ccc(CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591893330 468553165 /nfs/dbraw/zinc/55/31/65/468553165.db2.gz VQDIFARSENAOGK-CABCVRRESA-N 1 0 347.415 2.137 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncc([N+](=O)[O-])cc1Br)C2 ZINC000600955807 468696100 /nfs/dbraw/zinc/69/61/00/468696100.db2.gz JAUSKRCEHTVWTE-BETUJISGSA-N 1 0 341.209 2.188 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592567740 468730876 /nfs/dbraw/zinc/73/08/76/468730876.db2.gz XQVRNJXUSFAYHK-KRWDZBQOSA-N 1 0 325.368 2.222 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(O)CC1 ZINC000595091415 468757310 /nfs/dbraw/zinc/75/73/10/468757310.db2.gz ICASAWXHHCRIJD-VEAWUBTESA-N 1 0 335.404 2.453 10 5 EEBERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCNc1ccccc1[N+](=O)[O-] ZINC000595248372 468792532 /nfs/dbraw/zinc/79/25/32/468792532.db2.gz FADKSSYITSWYDW-INIZCTEOSA-N 1 0 340.383 2.358 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000598465653 468874640 /nfs/dbraw/zinc/87/46/40/468874640.db2.gz HLHLYIPNXAWPHB-UHFFFAOYSA-N 1 0 339.440 2.035 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000595504053 468879609 /nfs/dbraw/zinc/87/96/09/468879609.db2.gz DLCSCLKJFDBBPM-SFHVURJKSA-N 1 0 347.415 2.299 10 5 EEBERO COc1ccc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000572092275 468882746 /nfs/dbraw/zinc/88/27/46/468882746.db2.gz CPNAIWHZRJZBCH-OAHLLOKOSA-N 1 0 334.347 2.436 10 5 EEBERO CCc1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598539599 468906453 /nfs/dbraw/zinc/90/64/53/468906453.db2.gz IVZOGEZDHZWQOD-INIZCTEOSA-N 1 0 349.431 2.340 10 5 EEBERO CCOc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601559676 468918221 /nfs/dbraw/zinc/91/82/21/468918221.db2.gz VRYAHQBJVVVZDA-KGLIPLIRSA-N 1 0 333.388 2.208 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000593319653 468937488 /nfs/dbraw/zinc/93/74/88/468937488.db2.gz MTEXMACOSLRPKL-UHFFFAOYSA-N 1 0 336.436 2.414 10 5 EEBERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000601620125 468939901 /nfs/dbraw/zinc/93/99/01/468939901.db2.gz GZSNRVDBSPAFID-UHFFFAOYSA-N 1 0 330.344 2.312 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3COC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595826978 469030090 /nfs/dbraw/zinc/03/00/90/469030090.db2.gz BPAFWOJFOVGOGV-BFHYXJOUSA-N 1 0 333.388 2.199 10 5 EEBERO CC(C)Oc1nc(N2CCc3[nH+]ccc(N)c3C2)ccc1[N+](=O)[O-] ZINC000598941497 469058026 /nfs/dbraw/zinc/05/80/26/469058026.db2.gz FFLUSWUNUHBLEF-UHFFFAOYSA-N 1 0 329.360 2.317 10 5 EEBERO CO[C@H]1C[C@@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599089834 469114862 /nfs/dbraw/zinc/11/48/62/469114862.db2.gz BDBHHSRJZKVIKM-UHOFOFEASA-N 1 0 330.388 2.432 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000601966007 469116552 /nfs/dbraw/zinc/11/65/52/469116552.db2.gz VTTJSKGBZPICBI-HNNXBMFYSA-N 1 0 332.356 2.102 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)c1 ZINC000601970367 469120332 /nfs/dbraw/zinc/12/03/32/469120332.db2.gz WNGVNXSSFSYDMP-XNRPHZJLSA-N 1 0 348.428 2.065 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H](C(F)F)CC1 ZINC000601975238 469122244 /nfs/dbraw/zinc/12/22/44/469122244.db2.gz MNFDGXSZINHUBG-CYBMUJFWSA-N 1 0 343.330 2.198 10 5 EEBERO C[C@@H]1CC(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000563002651 469131228 /nfs/dbraw/zinc/13/12/28/469131228.db2.gz HNWJSFWRHQAAJX-XJKCOSOUSA-N 1 0 338.404 2.128 10 5 EEBERO C[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596109875 469159065 /nfs/dbraw/zinc/15/90/65/469159065.db2.gz FRNIFPUDVMVHEN-SNVBAGLBSA-N 1 0 333.310 2.116 10 5 EEBERO CN1CCC(CNc2cc[nH]c(=O)c2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000596137622 469172067 /nfs/dbraw/zinc/17/20/67/469172067.db2.gz AFWCXOVMYTXRHG-UHFFFAOYSA-N 1 0 349.435 2.058 10 5 EEBERO CN1CCN(Cc2ccccc2)[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596549900 469298933 /nfs/dbraw/zinc/29/89/33/469298933.db2.gz BPXLZAYNMDSHNR-KRWDZBQOSA-N 1 0 341.415 2.218 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000174124434 528967586 /nfs/dbraw/zinc/96/75/86/528967586.db2.gz NRBFIUALODXCTP-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000264181277 535525432 /nfs/dbraw/zinc/52/54/32/535525432.db2.gz MSLDCEULOAAZQS-UHFFFAOYSA-N 1 0 343.449 2.395 10 5 EEBERO COC1CC[NH+](CCNC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752529968 577772235 /nfs/dbraw/zinc/77/22/35/577772235.db2.gz UKVPOUUVSCQJQP-YPKPFQOOSA-N 1 0 347.415 2.225 10 5 EEBERO CNc1ccc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898848761 693483904 /nfs/dbraw/zinc/48/39/04/693483904.db2.gz PDWJTHIPUFZQIK-CABCVRRESA-N 1 0 332.404 2.239 10 5 EEBERO CCc1ncc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001266364989 1176419092 /nfs/dbraw/zinc/41/90/92/1176419092.db2.gz IPYJNKDIVXGOGJ-UHFFFAOYSA-N 1 0 348.428 2.476 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCCCCC1 ZINC001266560738 1176847491 /nfs/dbraw/zinc/84/74/91/1176847491.db2.gz VDWNMIKRKPHOAG-HZPDHXFCSA-N 1 0 325.453 2.450 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC001267443380 1179019000 /nfs/dbraw/zinc/01/90/00/1179019000.db2.gz CHRPLPWDJCQADY-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO Cc1cc(C(=O)NC/C=C\CNCc2csc([N+](=O)[O-])c2)no1 ZINC001268513125 1183148506 /nfs/dbraw/zinc/14/85/06/1183148506.db2.gz RQZUHRQZNATFRC-IHWYPQMZSA-N 1 0 336.373 2.029 10 5 EEBERO CC(C)(C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001271079810 1185864666 /nfs/dbraw/zinc/86/46/66/1185864666.db2.gz ONSMZWHTKZQSSQ-UHFFFAOYSA-N 1 0 349.431 2.396 10 5 EEBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC001483074430 1188432693 /nfs/dbraw/zinc/43/26/93/1188432693.db2.gz WYUAYZMIZWCGKT-NSCUHMNNSA-N 1 0 340.383 2.374 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)nc1 ZINC001273298694 1197987287 /nfs/dbraw/zinc/98/72/87/1197987287.db2.gz VCHNIVGELRMYQY-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810075311 1199239516 /nfs/dbraw/zinc/23/95/16/1199239516.db2.gz JYCWQLITXFYHMS-CQSZACIVSA-N 1 0 329.784 2.183 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869779589 1200273196 /nfs/dbraw/zinc/27/31/96/1200273196.db2.gz ZOMHMHQDXHJFFO-AWEZNQCLSA-N 1 0 349.431 2.095 10 5 EEBERO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000870894832 1200937899 /nfs/dbraw/zinc/93/78/99/1200937899.db2.gz JVXPEFYNVNJYEL-VEVIJQCQSA-N 1 0 345.399 2.092 10 5 EEBERO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000870996645 1200998462 /nfs/dbraw/zinc/99/84/62/1200998462.db2.gz KOOOHGRANNSZSG-KRWDZBQOSA-N 1 0 335.404 2.197 10 5 EEBERO CCOC(=O)c1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866207537 1201464766 /nfs/dbraw/zinc/46/47/66/1201464766.db2.gz XEIXJYSVZSUXLP-WFASDCNBSA-N 1 0 333.388 2.302 10 5 EEBERO CC(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C ZINC000866218565 1201468218 /nfs/dbraw/zinc/46/82/18/1201468218.db2.gz RXZVZILDBFDEOH-MRXNPFEDSA-N 1 0 332.404 2.256 10 5 EEBERO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC[N@@H+]1C ZINC000866218820 1201468317 /nfs/dbraw/zinc/46/83/17/1201468317.db2.gz YWUMEQKVXWGIRG-MRXNPFEDSA-N 1 0 348.403 2.328 10 5 EEBERO C[C@@H]1[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000928453412 1206387097 /nfs/dbraw/zinc/38/70/97/1206387097.db2.gz KLDMIHINCXLTCS-UKRRQHHQSA-N 1 0 346.431 2.020 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl ZINC000827699827 1248655338 /nfs/dbraw/zinc/65/53/38/1248655338.db2.gz MPSCPQGFPMQXHW-AWEZNQCLSA-N 1 0 339.823 2.279 10 5 EEBERO [NH3+][C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C(F)(F)F ZINC000903538277 1240846989 /nfs/dbraw/zinc/84/69/89/1240846989.db2.gz AWSNGWWPDIYZOS-ZJUUUORDSA-N 1 0 344.293 2.448 10 5 EEBERO COc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850348419 1277191971 /nfs/dbraw/zinc/19/19/71/1277191971.db2.gz LOZBVDZNDYMVSQ-QFIPXVFZSA-N 1 0 340.323 2.004 10 5 EEBERO CC1(C)Cc2n[nH]cc2C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000854056174 1292601359 /nfs/dbraw/zinc/60/13/59/1292601359.db2.gz ZYYMFYWJPCMKGD-INIZCTEOSA-N 1 0 330.388 2.436 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000859955515 1294725141 /nfs/dbraw/zinc/72/51/41/1294725141.db2.gz VAJLYLABEYUNRR-YVSFHVDLSA-N 1 0 348.399 2.292 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856153 1315625205 /nfs/dbraw/zinc/62/52/05/1315625205.db2.gz OVWHYHTZJWYLCO-NOZJJQNGSA-N 1 0 326.784 2.045 10 5 EEBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC001278607893 1317350534 /nfs/dbraw/zinc/35/05/34/1317350534.db2.gz RVTSNJXWAOANQI-HZPDHXFCSA-N 1 0 331.416 2.070 10 5 EEBERO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001158543944 1319295796 /nfs/dbraw/zinc/29/57/96/1319295796.db2.gz CGAXTZBMDVPITD-UHFFFAOYSA-N 1 0 338.364 2.163 10 5 EEBERO COCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001265549324 1323214954 /nfs/dbraw/zinc/21/49/54/1323214954.db2.gz HFHGCWLOOBANBA-OKILXGFUSA-N 1 0 335.404 2.004 10 5 EEBERO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1[NH+](C)C ZINC001295851136 1329849105 /nfs/dbraw/zinc/84/91/05/1329849105.db2.gz CPTFATXJFIYZEN-ZIAGYGMSSA-N 1 0 341.408 2.160 10 5 EEBERO CC(C)(O)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001318948225 1332627715 /nfs/dbraw/zinc/62/77/15/1332627715.db2.gz QXDKTBWFAAXCFJ-SHTZXODSSA-N 1 0 349.431 2.273 10 5 EEBERO Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001321052162 1333006232 /nfs/dbraw/zinc/00/62/32/1333006232.db2.gz QPOYPIBZPYKERE-XQJUWPJRSA-N 1 0 331.416 2.039 10 5 EEBERO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC001340741444 1337239631 /nfs/dbraw/zinc/23/96/31/1337239631.db2.gz DWZVDZHVOCXCLT-CYBMUJFWSA-N 1 0 335.404 2.191 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000848025600 1338456147 /nfs/dbraw/zinc/45/61/47/1338456147.db2.gz XOEBBVUGZKQAMN-HECSCLNYSA-N 1 0 349.431 2.207 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001597306742 1349922292 /nfs/dbraw/zinc/92/22/92/1349922292.db2.gz STVUXTIBRNZUSJ-INIZCTEOSA-N 1 0 346.431 2.265 10 5 EEBERO C[C@@H]([NH2+]C[C@H](O)CN(C)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC001648228913 1353421346 /nfs/dbraw/zinc/42/13/46/1353421346.db2.gz KBWBENNLDKJEKS-MNOVXSKESA-N 1 0 335.326 2.100 10 5 EEBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001648495121 1353431529 /nfs/dbraw/zinc/43/15/29/1353431529.db2.gz XGRANMWIEFNBGD-UHFFFAOYSA-N 1 0 347.419 2.053 10 5 EEBERO Cc1nccnc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654711176 1354155818 /nfs/dbraw/zinc/15/58/18/1354155818.db2.gz BDANOLCKZFXIJE-LLVKDONJSA-N 1 0 329.360 2.373 10 5 EEBERO C[C@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC001655091697 1354164599 /nfs/dbraw/zinc/16/45/99/1354164599.db2.gz GWKXGXUSHZLNAB-SNVBAGLBSA-N 1 0 345.359 2.368 10 5 EEBERO Cn1cc([N+](=O)[O-])c(NCC2([NH+]3CCSCC3)CCCCC2)n1 ZINC001655132079 1354165453 /nfs/dbraw/zinc/16/54/53/1354165453.db2.gz MSHFQKIULGPWAH-UHFFFAOYSA-N 1 0 339.465 2.492 10 5 EEBERO Cn1cc([C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC001655855279 1354187759 /nfs/dbraw/zinc/18/77/59/1354187759.db2.gz DUVUUGOPQIMKGV-AWEZNQCLSA-N 1 0 345.403 2.372 10 5 EEBERO Cc1ncsc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001663829406 1355039887 /nfs/dbraw/zinc/03/98/87/1355039887.db2.gz DWPNOPZIELJCNH-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO CCc1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001663910731 1355052391 /nfs/dbraw/zinc/05/23/91/1355052391.db2.gz AQVCKKQBMBDIQB-UHFFFAOYSA-N 1 0 330.388 2.347 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc(C(F)F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668822024 1356014147 /nfs/dbraw/zinc/01/41/47/1356014147.db2.gz VFGYSADPMGSSEF-KOMGFDSOSA-N 1 0 339.342 2.051 10 5 EEBERO C[NH+](C)C1CC(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000908009947 785017744 /nfs/dbraw/zinc/01/77/44/785017744.db2.gz OBFMYGTUSYEVOE-UHFFFAOYSA-N 1 0 341.795 2.226 10 5 EEBERO C/C(=C/C(=O)Nc1ccnn1CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000818944037 785336211 /nfs/dbraw/zinc/33/62/11/785336211.db2.gz KIHSCETXQXJNRZ-SEYXRHQNSA-N 1 0 343.387 2.395 10 5 EEBERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001136398779 786539023 /nfs/dbraw/zinc/53/90/23/786539023.db2.gz VUMOZCINSGOOFX-SECBINFHSA-N 1 0 343.815 2.212 10 5 EEBERO CCC[NH+](CCC)CCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136620252 787355273 /nfs/dbraw/zinc/35/52/73/787355273.db2.gz FWQFNKSFAVLMKT-UHFFFAOYSA-N 1 0 331.804 2.213 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000912815592 788392053 /nfs/dbraw/zinc/39/20/53/788392053.db2.gz NYLHQAQZSJMEOV-WBMJQRKESA-N 1 0 334.420 2.491 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@]2(C)C1 ZINC000913288439 788764087 /nfs/dbraw/zinc/76/40/87/788764087.db2.gz ORQSFTDPHQRADO-HDICACEKSA-N 1 0 342.399 2.490 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000913295302 788772218 /nfs/dbraw/zinc/77/22/18/788772218.db2.gz RYPXJXKKFLIYJZ-OKMWKSJFSA-N 1 0 329.400 2.408 10 5 EEBERO C[NH2+]CCOCCN(C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000923403466 789504625 /nfs/dbraw/zinc/50/46/25/789504625.db2.gz QHSSGENHNOJSTR-UHFFFAOYSA-N 1 0 346.225 2.025 10 5 EEBERO Cc1c(NC(=O)CCN2CC[C@@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923539002 789742482 /nfs/dbraw/zinc/74/24/82/789742482.db2.gz MGIISBUMWNNVQY-GOSISDBHSA-N 1 0 346.431 2.450 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923535810 789746091 /nfs/dbraw/zinc/74/60/91/789746091.db2.gz CHDYEVSVRWZYNB-GUYCJALGSA-N 1 0 332.404 2.140 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001144808406 790166067 /nfs/dbraw/zinc/16/60/67/790166067.db2.gz UXLZUOKZTVBPHU-AWEZNQCLSA-N 1 0 340.383 2.481 10 5 EEBERO C[C@H]([NH2+][C@H](CCO)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001176504259 798476609 /nfs/dbraw/zinc/47/66/09/798476609.db2.gz ARVKWGYAGTZISJ-GXTWGEPZSA-N 1 0 335.404 2.453 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC001178707849 799598476 /nfs/dbraw/zinc/59/84/76/799598476.db2.gz ANSVGCRSSWMEEW-HNNXBMFYSA-N 1 0 330.388 2.006 10 5 EEBERO O=C(CC(F)(F)F)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001480129165 1099694285 /nfs/dbraw/zinc/69/42/85/1099694285.db2.gz IXOOHTRSKKDSKG-XYPYZODXSA-N 1 0 331.294 2.284 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccc1F ZINC001497713461 1102953388 /nfs/dbraw/zinc/95/33/88/1102953388.db2.gz HOCGLUPFQHTEGZ-ONEGZZNKSA-N 1 0 344.346 2.205 10 5 EEBERO CN(C)c1cc[nH+]c(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC001455837137 1108936432 /nfs/dbraw/zinc/93/64/32/1108936432.db2.gz XGZBNEASAGQCJY-UHFFFAOYSA-N 1 0 339.355 2.467 10 5 EEBERO CC[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001458306112 1109856736 /nfs/dbraw/zinc/85/67/36/1109856736.db2.gz KIROJECODWQTHT-HNNXBMFYSA-N 1 0 329.404 2.429 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001458545379 1109890392 /nfs/dbraw/zinc/89/03/92/1109890392.db2.gz KOPZOCYKFQQXCJ-ZDUSSCGKSA-N 1 0 347.419 2.298 10 5 EEBERO COCCC(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001506948768 1114997186 /nfs/dbraw/zinc/99/71/86/1114997186.db2.gz FRCSDESWPGWBLI-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO CC1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001544193847 1124142784 /nfs/dbraw/zinc/14/27/84/1124142784.db2.gz MGSZSIVIDSQXPF-UHFFFAOYSA-N 1 0 334.420 2.419 10 5 EEBERO C[NH+](C)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001545390783 1124189716 /nfs/dbraw/zinc/18/97/16/1124189716.db2.gz MAULTDXAAZBAHX-UHFFFAOYSA-N 1 0 340.383 2.250 10 5 EEBERO Cn1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179545515 233150882 /nfs/dbraw/zinc/15/08/82/233150882.db2.gz COIRBRNPFNWWKU-QGZVFWFLSA-N 1 0 341.415 2.275 10 5 EEBERO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000069133134 215362407 /nfs/dbraw/zinc/36/24/07/215362407.db2.gz ZUWXOEOZTRAFPB-RKDXNWHRSA-N 1 0 342.193 2.180 10 5 EEBERO Cn1c2ccccc2c(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1=O ZINC000685940434 539988824 /nfs/dbraw/zinc/98/88/24/539988824.db2.gz LMYXPWOAMJGXJR-CYBMUJFWSA-N 1 0 342.399 2.121 10 5 EEBERO COc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423962095 240760596 /nfs/dbraw/zinc/76/05/96/240760596.db2.gz OQWPEFMYFQHMEO-KBPBESRZSA-N 1 0 333.388 2.208 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000247322025 243410014 /nfs/dbraw/zinc/41/00/14/243410014.db2.gz OQWVQYCQHWSUER-PBHICJAKSA-N 1 0 346.431 2.482 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000266561581 248360669 /nfs/dbraw/zinc/36/06/69/248360669.db2.gz XYRJDFVNFKKZSO-HNNXBMFYSA-N 1 0 334.376 2.190 10 5 EEBERO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000273106974 256265757 /nfs/dbraw/zinc/26/57/57/256265757.db2.gz QOZPIVCCUFYHFT-OAHLLOKOSA-N 1 0 349.431 2.002 10 5 EEBERO COC(=O)c1cc(C)nc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376260456 291999209 /nfs/dbraw/zinc/99/92/09/291999209.db2.gz OFSWXZGGFQOPCL-CHWSQXEVSA-N 1 0 348.403 2.148 10 5 EEBERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892901 292213759 /nfs/dbraw/zinc/21/37/59/292213759.db2.gz DWDCQBBENLENDZ-WCQYABFASA-N 1 0 344.371 2.336 10 5 EEBERO O=C(NCCC[NH2+]Cc1cccnc1)Nc1cccc([N+](=O)[O-])c1 ZINC000325021326 160541526 /nfs/dbraw/zinc/54/15/26/160541526.db2.gz FWPSNPOUMWXWBB-UHFFFAOYSA-N 1 0 329.360 2.291 10 5 EEBERO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCCCC1 ZINC000068899705 159023741 /nfs/dbraw/zinc/02/37/41/159023741.db2.gz JTEMWGRYCNECTA-UHFFFAOYSA-N 1 0 338.383 2.310 10 5 EEBERO CCCc1n[nH]c(C(=O)NCC2CC[NH+](CCC)CC2)c1[N+](=O)[O-] ZINC000109621273 159351409 /nfs/dbraw/zinc/35/14/09/159351409.db2.gz GBEBZXHTFCUKEH-UHFFFAOYSA-N 1 0 337.424 2.122 10 5 EEBERO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000188247651 160119202 /nfs/dbraw/zinc/11/92/02/160119202.db2.gz MKOXRSJEERQYEG-UHFFFAOYSA-N 1 0 349.478 2.399 10 5 EEBERO CC[C@H]([NH2+][C@H](C)C(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000245846487 160254266 /nfs/dbraw/zinc/25/42/66/160254266.db2.gz DVRVBNHHBGFJLH-WQVCFCJDSA-N 1 0 335.404 2.319 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246440527 160279311 /nfs/dbraw/zinc/27/93/11/160279311.db2.gz NIDPFCSSFCSQJX-AAEUAGOBSA-N 1 0 334.376 2.304 10 5 EEBERO O=C(CC[NH2+][C@@H](CO)c1ccsc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352020356 162031319 /nfs/dbraw/zinc/03/13/19/162031319.db2.gz HPZGGEYLBGQPOB-AWEZNQCLSA-N 1 0 335.385 2.308 10 5 EEBERO COc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352781112 162283678 /nfs/dbraw/zinc/28/36/78/162283678.db2.gz XJOCOGNJTNEVGX-RLFYNMQTSA-N 1 0 349.431 2.287 10 5 EEBERO O=C(CC[N@@H+]1CC[C@@]2(C1)CCCOC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000375304105 167108412 /nfs/dbraw/zinc/10/84/12/167108412.db2.gz RDESDRNYBQNPNM-QGZVFWFLSA-N 1 0 333.388 2.426 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000247126993 297101498 /nfs/dbraw/zinc/10/14/98/297101498.db2.gz JGBBYEADUVPEGH-YPMHNXCESA-N 1 0 330.388 2.152 10 5 EEBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000441256524 315176729 /nfs/dbraw/zinc/17/67/29/315176729.db2.gz ASCSEXNIJHDFKI-JYJNAYRXSA-N 1 0 333.388 2.247 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000518430849 316726039 /nfs/dbraw/zinc/72/60/39/316726039.db2.gz STXRDMKDUMOZDL-OAGGEKHMSA-N 1 0 328.368 2.480 10 5 EEBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000540969398 318088849 /nfs/dbraw/zinc/08/88/49/318088849.db2.gz CBMFDMGWYQSRHW-QWHCGFSZSA-N 1 0 332.404 2.373 10 5 EEBERO COc1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc([N+](=O)[O-])c1C ZINC000570171824 319642530 /nfs/dbraw/zinc/64/25/30/319642530.db2.gz PFJSKDUQZUBXLB-UHFFFAOYSA-N 1 0 333.388 2.255 10 5 EEBERO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000570617727 319681339 /nfs/dbraw/zinc/68/13/39/319681339.db2.gz NSPLNIYDAHQYPW-CXAGYDPISA-N 1 0 332.404 2.441 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2CCC1(C[NH3+])CC2 ZINC000571821241 319790102 /nfs/dbraw/zinc/79/01/02/319790102.db2.gz POWRJPLFJFEDMO-POZPTJLLSA-N 1 0 332.404 2.125 10 5 EEBERO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000182184604 323367784 /nfs/dbraw/zinc/36/77/84/323367784.db2.gz QFGIMTQWGQDZRI-OAHLLOKOSA-N 1 0 338.404 2.224 10 5 EEBERO COc1c[nH+]ccc1N1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000358312080 465052484 /nfs/dbraw/zinc/05/24/84/465052484.db2.gz QNHMDALLWAIJLI-UHFFFAOYSA-N 1 0 348.384 2.022 10 5 EEBERO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000568150705 468279050 /nfs/dbraw/zinc/27/90/50/468279050.db2.gz RXSKTIVOWCTVFY-UHFFFAOYSA-N 1 0 340.383 2.487 10 5 EEBERO Cc1c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000061647199 462594388 /nfs/dbraw/zinc/59/43/88/462594388.db2.gz YONPZCLOMKBIMD-UHFFFAOYSA-N 1 0 348.359 2.122 10 5 EEBERO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075752376 462756607 /nfs/dbraw/zinc/75/66/07/462756607.db2.gz GOIFKNGBXDILDU-PBHICJAKSA-N 1 0 332.404 2.024 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119624300 462916847 /nfs/dbraw/zinc/91/68/47/462916847.db2.gz YLQRBJWTVSXIAY-LBPRGKRZSA-N 1 0 343.449 2.220 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134727012 463076646 /nfs/dbraw/zinc/07/66/46/463076646.db2.gz PWFLPVINDPAUDQ-IUODEOHRSA-N 1 0 342.399 2.314 10 5 EEBERO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000491270837 468338258 /nfs/dbraw/zinc/33/82/58/468338258.db2.gz KFQBEMYAWVLGHF-GOSISDBHSA-N 1 0 342.399 2.063 10 5 EEBERO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000160607597 463354715 /nfs/dbraw/zinc/35/47/15/463354715.db2.gz ZIFAEEXXRPUTDC-CQSZACIVSA-N 1 0 335.404 2.454 10 5 EEBERO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802953 463469205 /nfs/dbraw/zinc/46/92/05/463469205.db2.gz XXYNYNVFOXLBDW-OAHLLOKOSA-N 1 0 327.388 2.486 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269284566 463940684 /nfs/dbraw/zinc/94/06/84/463940684.db2.gz RHILYHQMRDUCDX-UHFFFAOYSA-N 1 0 344.209 2.429 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000284770827 464333198 /nfs/dbraw/zinc/33/31/98/464333198.db2.gz MPMFKERZRHURPR-AWEZNQCLSA-N 1 0 335.404 2.354 10 5 EEBERO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000173948487 464337406 /nfs/dbraw/zinc/33/74/06/464337406.db2.gz BCORZXCMEVMFIS-LLVKDONJSA-N 1 0 347.462 2.009 10 5 EEBERO C[NH2+]C(C)(C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272008304 464444206 /nfs/dbraw/zinc/44/42/06/464444206.db2.gz SUSUTYBSNXLILB-UHFFFAOYSA-N 1 0 332.307 2.316 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445621 464482138 /nfs/dbraw/zinc/48/21/38/464482138.db2.gz ZBBOOGRVMUBALU-YOEHRIQHSA-N 1 0 348.447 2.220 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000175044100 464485680 /nfs/dbraw/zinc/48/56/80/464485680.db2.gz LZBFYVWMLZPBOD-KGLIPLIRSA-N 1 0 332.404 2.386 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266350118 464772434 /nfs/dbraw/zinc/77/24/34/464772434.db2.gz WXBDNPSUHAYINM-JTQLQIEISA-N 1 0 331.294 2.438 10 5 EEBERO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1C[NH+]2CCC1CC2 ZINC000342922982 465391656 /nfs/dbraw/zinc/39/16/56/465391656.db2.gz ZLBOVHHHKOHQGV-OAHLLOKOSA-N 1 0 328.372 2.242 10 5 EEBERO C[C@H](CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[NH+](C)C ZINC000597093383 468440503 /nfs/dbraw/zinc/44/05/03/468440503.db2.gz ZUTKKFFTNLQMIQ-MRVPVSSYSA-N 1 0 329.788 2.292 10 5 EEBERO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000301292156 465937425 /nfs/dbraw/zinc/93/74/25/465937425.db2.gz VFGFWGDAGYFEAU-AWEZNQCLSA-N 1 0 341.843 2.327 10 5 EEBERO CNC(=O)C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000361642583 466172362 /nfs/dbraw/zinc/17/23/62/466172362.db2.gz JOHGZEKAZJTJDL-OAHLLOKOSA-N 1 0 343.383 2.441 10 5 EEBERO O=C(N[C@@H]1CCc2[nH]cnc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000357962524 466351025 /nfs/dbraw/zinc/35/10/25/466351025.db2.gz ZYXPHILAHNNGGA-SECBINFHSA-N 1 0 325.328 2.087 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000354565258 466643726 /nfs/dbraw/zinc/64/37/26/466643726.db2.gz HCMHVMOXDHEINU-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO C[NH2+][C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415686524 466708560 /nfs/dbraw/zinc/70/85/60/466708560.db2.gz AMJURISTJKZHJQ-VIFPVBQESA-N 1 0 343.181 2.183 10 5 EEBERO CC(C)(C)c1ccc(NC(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415687859 466709618 /nfs/dbraw/zinc/70/96/18/466709618.db2.gz BMFODOMLUGKQNM-LBPRGKRZSA-N 1 0 336.392 2.084 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423643847 466794640 /nfs/dbraw/zinc/79/46/40/466794640.db2.gz JFWPHJGMRBLRPA-WPRPVWTQSA-N 1 0 329.809 2.288 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411314303 466804950 /nfs/dbraw/zinc/80/49/50/466804950.db2.gz DQDZBEOVWSHLLP-XJKSGUPXSA-N 1 0 333.388 2.424 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000411818190 466909213 /nfs/dbraw/zinc/90/92/13/466909213.db2.gz LAFQAECOAKEXHH-RYUDHWBXSA-N 1 0 337.401 2.122 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423962242 466929623 /nfs/dbraw/zinc/92/96/23/466929623.db2.gz DPPAZMJNRJVTTA-GDBMZVCRSA-N 1 0 346.431 2.387 10 5 EEBERO C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000423989040 466938524 /nfs/dbraw/zinc/93/85/24/466938524.db2.gz ZIXLRVTZNNKBBX-PIGZYNQJSA-N 1 0 332.404 2.226 10 5 EEBERO Nc1nccc([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000365984823 467013019 /nfs/dbraw/zinc/01/30/19/467013019.db2.gz BAAKLVGXVMFJGB-CYBMUJFWSA-N 1 0 343.387 2.225 10 5 EEBERO COC[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000452109731 467325604 /nfs/dbraw/zinc/32/56/04/467325604.db2.gz XBWLZZCQIUPXMX-AWEZNQCLSA-N 1 0 347.415 2.232 10 5 EEBERO C[C@H]([NH3+])[C@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000381395103 467374556 /nfs/dbraw/zinc/37/45/56/467374556.db2.gz TWAFRPVDHRZCPJ-BQBZGAKWSA-N 1 0 335.145 2.347 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000434189943 467382417 /nfs/dbraw/zinc/38/24/17/467382417.db2.gz PZTDEJVRFXNSBN-UHFFFAOYSA-N 1 0 337.424 2.293 10 5 EEBERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000404620435 467476268 /nfs/dbraw/zinc/47/62/68/467476268.db2.gz XCDRUXCBFPDFST-UHFFFAOYSA-N 1 0 349.412 2.101 10 5 EEBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531883848 468082951 /nfs/dbraw/zinc/08/29/51/468082951.db2.gz RZVZJNWKUCLWEE-GUTXKFCHSA-N 1 0 332.404 2.467 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000589505120 468158535 /nfs/dbraw/zinc/15/85/35/468158535.db2.gz BOBHNXZNZHYVIX-GDBMZVCRSA-N 1 0 347.415 2.298 10 5 EEBERO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000589838555 468187815 /nfs/dbraw/zinc/18/78/15/468187815.db2.gz BDBDZPOVSOMPGP-NSHDSACASA-N 1 0 341.358 2.406 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000590390306 468244131 /nfs/dbraw/zinc/24/41/31/468244131.db2.gz XNSOZFAFXOFWCT-AWEZNQCLSA-N 1 0 347.415 2.229 10 5 EEBERO Cc1c(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000600409007 468549169 /nfs/dbraw/zinc/54/91/69/468549169.db2.gz GIENSKQKCRVTFK-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)c1nc(N)[nH+]c2c1CCCC2 ZINC000591941088 468578224 /nfs/dbraw/zinc/57/82/24/468578224.db2.gz VUZDXDDDTRCZFC-UHFFFAOYSA-N 1 0 327.388 2.525 10 5 EEBERO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(=O)OC(C)(C)C ZINC000570276762 468615999 /nfs/dbraw/zinc/61/59/99/468615999.db2.gz QWAKFUPAOGCSGY-CHWSQXEVSA-N 1 0 338.408 2.091 10 5 EEBERO Cn1ccnc1[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600712389 468629070 /nfs/dbraw/zinc/62/90/70/468629070.db2.gz XKRYLCQLFMRPLV-JKSUJKDBSA-N 1 0 341.415 2.292 10 5 EEBERO CN(CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000597859253 468696714 /nfs/dbraw/zinc/69/67/14/468696714.db2.gz SGZLATSOIFJQTI-CYBMUJFWSA-N 1 0 334.420 2.020 10 5 EEBERO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594951095 468729982 /nfs/dbraw/zinc/72/99/82/468729982.db2.gz BMHBODCPWHEJHS-RIEGTJTDSA-N 1 0 331.372 2.406 10 5 EEBERO CC(C)[C@@H]1C[N@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601121854 468750901 /nfs/dbraw/zinc/75/09/01/468750901.db2.gz PWIPGBQCOPMMES-VIFPVBQESA-N 1 0 335.330 2.124 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000601131426 468755096 /nfs/dbraw/zinc/75/50/96/468755096.db2.gz KBPPLOSGJVVXCN-ZJUUUORDSA-N 1 0 347.341 2.268 10 5 EEBERO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000593100813 468871416 /nfs/dbraw/zinc/87/14/16/468871416.db2.gz JSEZYASKSYEEDV-UHFFFAOYSA-N 1 0 325.384 2.277 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595631302 468931889 /nfs/dbraw/zinc/93/18/89/468931889.db2.gz GWCXKWSYIRWTDL-UNEWFSDZSA-N 1 0 338.404 2.129 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595659860 468943968 /nfs/dbraw/zinc/94/39/68/468943968.db2.gz BGPHFVSUPVHDOR-HNNXBMFYSA-N 1 0 349.435 2.179 10 5 EEBERO CCOc1cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000595864875 469052818 /nfs/dbraw/zinc/05/28/18/469052818.db2.gz WCNSCIVJXXCKFX-MRXNPFEDSA-N 1 0 349.431 2.025 10 5 EEBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@@]3(O)CCOC3)cs2)c1 ZINC000593669769 469085951 /nfs/dbraw/zinc/08/59/51/469085951.db2.gz AKORUZCVOTXWLU-MRXNPFEDSA-N 1 0 349.412 2.349 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000599066497 469105880 /nfs/dbraw/zinc/10/58/80/469105880.db2.gz QMBULNFIXKTQRC-PLYYQAHHSA-N 1 0 334.416 2.436 10 5 EEBERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000599102663 469120012 /nfs/dbraw/zinc/12/00/12/469120012.db2.gz ONEGHXOJUYDBFB-UHFFFAOYSA-N 1 0 347.396 2.195 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CCN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000602864188 469127391 /nfs/dbraw/zinc/12/73/91/469127391.db2.gz NHPQUDSENMISHP-DGCLKSJQSA-N 1 0 338.408 2.294 10 5 EEBERO Cc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596070993 469139945 /nfs/dbraw/zinc/13/99/45/469139945.db2.gz VDMFGTYDEYGOST-RHSMWYFYSA-N 1 0 330.388 2.128 10 5 EEBERO CC(C)C[NH2+]C1(CO)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000596252337 469221356 /nfs/dbraw/zinc/22/13/56/469221356.db2.gz CIQDLPPCIUPILZ-UHFFFAOYSA-N 1 0 347.419 2.048 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189664557 528234715 /nfs/dbraw/zinc/23/47/15/528234715.db2.gz NUSXEUYGCYYYCO-NSHDSACASA-N 1 0 329.422 2.141 10 5 EEBERO O=C1COc2cc([N+](=O)[O-])c(NC[C@@H]3CCCC[N@@H+]3C3CC3)cc2N1 ZINC000764942082 577491445 /nfs/dbraw/zinc/49/14/45/577491445.db2.gz RFSSPJVKTLBISM-LBPRGKRZSA-N 1 0 346.387 2.355 10 5 EEBERO CC(C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H](C)O ZINC000128581676 693874925 /nfs/dbraw/zinc/87/49/25/693874925.db2.gz LBFMKYIQIVTEJI-LLVKDONJSA-N 1 0 327.356 2.154 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000896625836 685124912 /nfs/dbraw/zinc/12/49/12/685124912.db2.gz GZOSOTUDNIZKFB-UHFFFAOYSA-N 1 0 335.404 2.006 10 5 EEBERO Cn1cccc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001691201271 1177708511 /nfs/dbraw/zinc/70/85/11/1177708511.db2.gz CVVUZOWOMGDATO-UHFFFAOYSA-N 1 0 342.399 2.328 10 5 EEBERO Cc1cc(Cl)ccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001670781195 1181703680 /nfs/dbraw/zinc/70/36/80/1181703680.db2.gz GRXCGUDPLZXKJO-ZIAGYGMSSA-N 1 0 337.807 2.052 10 5 EEBERO Cc1nc(C)c(C(=O)NCC=CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001268593274 1183406348 /nfs/dbraw/zinc/40/63/48/1183406348.db2.gz TXUDLJVVICLZCB-ARJAWSKDSA-N 1 0 343.387 2.011 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccncc1F ZINC001271984497 1186758757 /nfs/dbraw/zinc/75/87/57/1186758757.db2.gz MIAUZXSWCAVCSK-UHFFFAOYSA-N 1 0 346.362 2.333 10 5 EEBERO COCCC(=O)NCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001484130086 1191226229 /nfs/dbraw/zinc/22/62/29/1191226229.db2.gz VBWZEQYORMDHQR-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872146949 1198054292 /nfs/dbraw/zinc/05/42/92/1198054292.db2.gz BJWGVRXATLYCCZ-CMPLNLGQSA-N 1 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COc1cc(C(=O)O[C@H](C[NH+](C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000870566346 1200745966 /nfs/dbraw/zinc/74/59/66/1200745966.db2.gz DNGOKIXDZNCDPE-CQSZACIVSA-N 1 0 328.340 2.486 10 5 EEBERO CO[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000866386289 1201505217 /nfs/dbraw/zinc/50/52/17/1201505217.db2.gz ZKZFNVQIBFGYPS-PVXIVEMSSA-N 1 0 326.368 2.306 10 5 EEBERO C[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881633017 1201730119 /nfs/dbraw/zinc/73/01/19/1201730119.db2.gz CFTRRHPKTSXSBC-LBPRGKRZSA-N 1 0 344.346 2.480 10 5 EEBERO CC(C)C[NH+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000929460576 1206477121 /nfs/dbraw/zinc/47/71/21/1206477121.db2.gz VBHOBQBXMINOBQ-UHFFFAOYSA-N 1 0 337.395 2.467 10 5 EEBERO C[NH+](C)C1(C)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931352249 1206625697 /nfs/dbraw/zinc/62/56/97/1206625697.db2.gz XOSMQVYJBULMDE-UHFFFAOYSA-N 1 0 334.420 2.340 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000903484931 1240620206 /nfs/dbraw/zinc/62/02/06/1240620206.db2.gz GPCDTUSSTNCUQP-INIZCTEOSA-N 1 0 346.431 2.496 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](CCCCO)CC1 ZINC000858421648 1294113679 /nfs/dbraw/zinc/11/36/79/1294113679.db2.gz DPKOYAOCHHQZSG-UHFFFAOYSA-N 1 0 330.388 2.038 10 5 EEBERO COCc1cc([N+](=O)[O-])ccc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000858762720 1294214405 /nfs/dbraw/zinc/21/44/05/1294214405.db2.gz GRQMOEJWMHFIMM-UHFFFAOYSA-N 1 0 349.431 2.432 10 5 EEBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000859829294 1294662710 /nfs/dbraw/zinc/66/27/10/1294662710.db2.gz PCJMMVGGRIXIAT-ZAQLIGFBSA-N 1 0 339.367 2.464 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931314875 1297131192 /nfs/dbraw/zinc/13/11/92/1297131192.db2.gz RFXSOESSVNQWIV-IYBDPMFKSA-N 1 0 334.376 2.277 10 5 EEBERO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001277042918 1300992526 /nfs/dbraw/zinc/99/25/26/1300992526.db2.gz GKXRXCGBSVEVDF-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO C[C@H]1C[N@H+](CCCOC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001123025035 1310448050 /nfs/dbraw/zinc/44/80/50/1310448050.db2.gz WBODQNRFJSUHOT-RRQGHBQHSA-N 1 0 348.399 2.352 10 5 EEBERO CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC001123354831 1310535963 /nfs/dbraw/zinc/53/59/63/1310535963.db2.gz FQWOBLZVJUCJDI-QGZVFWFLSA-N 1 0 349.431 2.429 10 5 EEBERO CC[NH+](CC)CC[C@@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC001124126372 1310829907 /nfs/dbraw/zinc/82/99/07/1310829907.db2.gz LTMVYZHYKSTUJR-GFCCVEGCSA-N 1 0 339.440 2.035 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000839604653 1315219224 /nfs/dbraw/zinc/21/92/24/1315219224.db2.gz FPJKESVTLKQYOA-MFKMUULPSA-N 1 0 340.221 2.493 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842163167 1315671065 /nfs/dbraw/zinc/67/10/65/1315671065.db2.gz LAGZHMGGYJEIBL-NWDGAFQWSA-N 1 0 327.812 2.135 10 5 EEBERO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001149537106 1315986725 /nfs/dbraw/zinc/98/67/25/1315986725.db2.gz VJCHROVALZFERU-HNNXBMFYSA-N 1 0 343.358 2.391 10 5 EEBERO C[N@H+](CCCNC(=O)Cc1ccoc1)Cc1ccccc1[N+](=O)[O-] ZINC001264978845 1322829345 /nfs/dbraw/zinc/82/93/45/1322829345.db2.gz QPDPLIKKWYBUIC-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO CC[N@H+](CCCNC(=O)c1[nH]cnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001265149661 1322950274 /nfs/dbraw/zinc/95/02/74/1322950274.db2.gz XKMRYJVZQAOZMQ-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1)C1CCC1 ZINC001281206617 1324873095 /nfs/dbraw/zinc/87/30/95/1324873095.db2.gz CSBVSOPJTVUQGB-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO Cc1nc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001322753551 1333320049 /nfs/dbraw/zinc/32/00/49/1333320049.db2.gz YBOJAVARQGIYJE-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO C[NH+]1CCN(C(C)(C)CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC001322762117 1333321726 /nfs/dbraw/zinc/32/17/26/1333321726.db2.gz JNYLDHFJRCMGNG-UHFFFAOYSA-N 1 0 327.816 2.081 10 5 EEBERO COc1ccc(CC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cn1 ZINC001331522138 1335030002 /nfs/dbraw/zinc/03/00/02/1335030002.db2.gz WLKUSLJWLWNFAL-UHFFFAOYSA-N 1 0 333.344 2.045 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000848377055 1338693962 /nfs/dbraw/zinc/69/39/62/1338693962.db2.gz VXJWTYPWGAACGK-LBPRGKRZSA-N 1 0 343.811 2.071 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1c[nH]nc1C ZINC001620480344 1352359475 /nfs/dbraw/zinc/35/94/75/1352359475.db2.gz LYVBNABVKUHKTQ-UHFFFAOYSA-N 1 0 347.375 2.096 10 5 EEBERO COc1cc(CN2CCC[C@@H](c3cn(C)nn3)C2)c([N+](=O)[O-])cc1F ZINC001620662219 1352361370 /nfs/dbraw/zinc/36/13/70/1352361370.db2.gz ZRLBNEYPYIYAPO-LLVKDONJSA-N 1 0 349.366 2.251 10 5 EEBERO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccccc1 ZINC001625586570 1352452699 /nfs/dbraw/zinc/45/26/99/1352452699.db2.gz MCCJLJCTLOVGAX-UHFFFAOYSA-N 1 0 328.372 2.039 10 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C[C@@H]1[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000919803443 770298622 /nfs/dbraw/zinc/29/86/22/770298622.db2.gz SXENHAUZGXPCDN-CJNGLKHVSA-N 1 0 334.420 2.309 10 5 EEBERO [NH3+]CCN(Cc1cnn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000809727999 783313290 /nfs/dbraw/zinc/31/32/90/783313290.db2.gz GXSGBPRSAFRCNJ-UHFFFAOYSA-N 1 0 338.371 2.141 10 5 EEBERO C[NH+]1CCC(CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC1 ZINC000911473409 787466380 /nfs/dbraw/zinc/46/63/80/787466380.db2.gz BYUIVAILUKVEKN-UHFFFAOYSA-N 1 0 327.331 2.221 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@H]1CCC[N@@H+]1C1CC1 ZINC000911474642 787467688 /nfs/dbraw/zinc/46/76/88/787467688.db2.gz NHRFAZXDHPZNIF-CYBMUJFWSA-N 1 0 325.315 2.116 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923535809 789746262 /nfs/dbraw/zinc/74/62/62/789746262.db2.gz CHDYEVSVRWZYNB-DYVFJYSZSA-N 1 0 332.404 2.140 10 5 EEBERO CCC1([NH3+])CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000714751686 795058825 /nfs/dbraw/zinc/05/88/25/795058825.db2.gz GBYIFJPYMGZKCX-UHFFFAOYSA-N 1 0 329.198 2.460 10 5 EEBERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC001175210557 798033261 /nfs/dbraw/zinc/03/32/61/798033261.db2.gz BVHNPVWUMLDHPX-LLVKDONJSA-N 1 0 329.360 2.266 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001176629236 798509183 /nfs/dbraw/zinc/50/91/83/798509183.db2.gz JBBDOAGLKRYJGL-LBTNJELSSA-N 1 0 346.431 2.114 10 5 EEBERO C[NH+](C)CC1(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000823683764 798758171 /nfs/dbraw/zinc/75/81/71/798758171.db2.gz UVMIYRFXSIKWNW-UHFFFAOYSA-N 1 0 329.759 2.345 10 5 EEBERO CCOCC(=O)NCCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001495501174 1101211401 /nfs/dbraw/zinc/21/14/01/1101211401.db2.gz ATUKGMIPXXAUPB-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CC[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC001454065861 1106700082 /nfs/dbraw/zinc/70/00/82/1106700082.db2.gz RYPWUURBXDLXKA-WCBMZHEXSA-N 1 0 326.784 2.043 10 5 EEBERO Cn1cc([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC001458442209 1109873997 /nfs/dbraw/zinc/87/39/97/1109873997.db2.gz AWHSHXDDDISEGQ-CABCVRRESA-N 1 0 327.388 2.039 10 5 EEBERO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccn2ccnc2c1 ZINC001465976037 1110427444 /nfs/dbraw/zinc/42/74/44/1110427444.db2.gz GVFVDBLUVQGMKT-UHFFFAOYSA-N 1 0 328.303 2.241 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)c1cscn1 ZINC001501925756 1113525943 /nfs/dbraw/zinc/52/59/43/1113525943.db2.gz VPSDFNHDAIEGAP-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO C[C@H]([NH3+])Cc1cnn(Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000054741413 214252366 /nfs/dbraw/zinc/25/23/66/214252366.db2.gz ZAMVQQRBVSWERI-VIFPVBQESA-N 1 0 339.193 2.492 10 5 EEBERO Cn1cc(C[N@@H+]2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000105869281 204172489 /nfs/dbraw/zinc/17/24/89/204172489.db2.gz SKHYMHCHEGEKMT-UHFFFAOYSA-N 1 0 329.404 2.036 10 5 EEBERO CC(C)c1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266430544 248297744 /nfs/dbraw/zinc/29/77/44/248297744.db2.gz KQPWPYYMFKQCLY-KRWDZBQOSA-N 1 0 332.404 2.408 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000177011242 207284754 /nfs/dbraw/zinc/28/47/54/207284754.db2.gz MLEUYCFKDQCWIE-LBPRGKRZSA-N 1 0 331.376 2.027 10 5 EEBERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892900 292213819 /nfs/dbraw/zinc/21/38/19/292213819.db2.gz DWDCQBBENLENDZ-DGCLKSJQSA-N 1 0 344.371 2.336 10 5 EEBERO Cc1c(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000262203670 160445163 /nfs/dbraw/zinc/44/51/63/160445163.db2.gz KSOSBRYDMRBPFI-DDUZABMNSA-N 1 0 347.415 2.052 10 5 EEBERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000130607548 292376465 /nfs/dbraw/zinc/37/64/65/292376465.db2.gz LNGLYGFRIANPLO-ZDUSSCGKSA-N 1 0 330.388 2.219 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c([N+](=O)[O-])c1 ZINC000194443354 160194578 /nfs/dbraw/zinc/19/45/78/160194578.db2.gz SHHBSFTXBMTDIZ-HOCLYGCPSA-N 1 0 329.312 2.251 10 5 EEBERO COCC[C@@H]1CCCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368769026 166124389 /nfs/dbraw/zinc/12/43/89/166124389.db2.gz DTLDIZDZQZNVDL-ZDUSSCGKSA-N 1 0 335.404 2.332 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375345964 167117020 /nfs/dbraw/zinc/11/70/20/167117020.db2.gz WNJMIKMWLOSLAP-MRXNPFEDSA-N 1 0 349.387 2.043 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000191782148 274052322 /nfs/dbraw/zinc/05/23/22/274052322.db2.gz VJIGJTSHWWFVOW-MLGOLLRUSA-N 1 0 337.424 2.052 10 5 EEBERO CNC(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000339075252 277006656 /nfs/dbraw/zinc/00/66/56/277006656.db2.gz VIBZNUKIHJIYFT-LBPRGKRZSA-N 1 0 333.310 2.474 10 5 EEBERO CNC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000266741149 277017706 /nfs/dbraw/zinc/01/77/06/277017706.db2.gz QGKPRYGCRKPVCO-CABCVRRESA-N 1 0 346.431 2.406 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000109113652 279158192 /nfs/dbraw/zinc/15/81/92/279158192.db2.gz CCHWXSSINAMPJC-HNNXBMFYSA-N 1 0 340.383 2.431 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000301575437 294871211 /nfs/dbraw/zinc/87/12/11/294871211.db2.gz ZPCUETGCTGFHDZ-UHFFFAOYSA-N 1 0 347.419 2.298 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000189141234 301432324 /nfs/dbraw/zinc/43/23/24/301432324.db2.gz XELSLTOGQSTHBM-ZDUSSCGKSA-N 1 0 343.449 2.158 10 5 EEBERO CC(C)Oc1cc(C(=O)NCCNc2cc[nH+]cc2)ccc1[N+](=O)[O-] ZINC000411527283 312546774 /nfs/dbraw/zinc/54/67/74/312546774.db2.gz FQGYCHWSHICXHI-UHFFFAOYSA-N 1 0 344.371 2.041 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414346578 313001039 /nfs/dbraw/zinc/00/10/39/313001039.db2.gz UVICJVRNLKRTEO-HZSPNIEDSA-N 1 0 335.404 2.453 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000525107151 317038996 /nfs/dbraw/zinc/03/89/96/317038996.db2.gz NKQQFOLJERGNLW-SWLSCSKDSA-N 1 0 334.420 2.439 10 5 EEBERO CCOc1cc(N2CC[NH+](C[C@@H](C)COC)CC2)ccc1[N+](=O)[O-] ZINC000526992587 317137637 /nfs/dbraw/zinc/13/76/37/317137637.db2.gz DGJDRXCAIMAJOC-CQSZACIVSA-N 1 0 337.420 2.398 10 5 EEBERO CS[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1[NH+](C)C ZINC000564892785 319123672 /nfs/dbraw/zinc/12/36/72/319123672.db2.gz DOTBPTMJEVIBMR-LSDHHAIUSA-N 1 0 336.461 2.350 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000566100411 319244547 /nfs/dbraw/zinc/24/45/47/319244547.db2.gz PSOIKNHHTLUPSD-UKRRQHHQSA-N 1 0 346.431 2.265 10 5 EEBERO Cc1c(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000576849377 320210347 /nfs/dbraw/zinc/21/03/47/320210347.db2.gz ZKTAESUCQNKKRB-KRWDZBQOSA-N 1 0 332.404 2.188 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000577215872 320242741 /nfs/dbraw/zinc/24/27/41/320242741.db2.gz XRMNGAHDCSJUOH-IRXDYDNUSA-N 1 0 342.395 2.482 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000131266351 462801458 /nfs/dbraw/zinc/80/14/58/462801458.db2.gz WZCVDUIJHRQDLM-JTQLQIEISA-N 1 0 349.840 2.257 10 5 EEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131414498 462808983 /nfs/dbraw/zinc/80/89/83/462808983.db2.gz AXIGEHUKZAZTMD-CXAGYDPISA-N 1 0 346.431 2.070 10 5 EEBERO C[NH+](C)C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000052554418 463090394 /nfs/dbraw/zinc/09/03/94/463090394.db2.gz NWLIHNPYUQJIQO-OAHLLOKOSA-N 1 0 343.383 2.393 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000080598409 463334581 /nfs/dbraw/zinc/33/45/81/463334581.db2.gz OOCGQRJZVXCZKI-CQSZACIVSA-N 1 0 334.420 2.311 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3cncc(F)c3)CC2)nc1 ZINC000170607023 463682416 /nfs/dbraw/zinc/68/24/16/463682416.db2.gz VEEGLJKHOVTARO-UHFFFAOYSA-N 1 0 345.378 2.279 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173271713 464225894 /nfs/dbraw/zinc/22/58/94/464225894.db2.gz JMPMEYMAXIWMQR-CHWSQXEVSA-N 1 0 341.433 2.006 10 5 EEBERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247322123 464668606 /nfs/dbraw/zinc/66/86/06/464668606.db2.gz ORNCJAOHDDJGPW-ZYHUDNBSSA-N 1 0 348.359 2.120 10 5 EEBERO COc1cc(N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000286463460 464926817 /nfs/dbraw/zinc/92/68/17/464926817.db2.gz RNSUPHJMJOHVFC-GJZGRUSLSA-N 1 0 335.404 2.293 10 5 EEBERO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251822639 464943563 /nfs/dbraw/zinc/94/35/63/464943563.db2.gz PJDPGZJLQDACFJ-PSASIEDQSA-N 1 0 329.198 2.316 10 5 EEBERO C[NH2+]Cc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000593913744 468430813 /nfs/dbraw/zinc/43/08/13/468430813.db2.gz DIJDALRIEXUFNV-UHFFFAOYSA-N 1 0 327.384 2.482 10 5 EEBERO CCOc1cc(NC(=O)NC/C=C\C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000591274102 468435266 /nfs/dbraw/zinc/43/52/66/468435266.db2.gz NULDNXRQPJGWNW-WAYWQWQTSA-N 1 0 338.364 2.029 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597089851 468439661 /nfs/dbraw/zinc/43/96/61/468439661.db2.gz DQPGZFVXRDJTBP-WAAGHKOSSA-N 1 0 341.799 2.292 10 5 EEBERO CC(C)[NH+]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095057 468441375 /nfs/dbraw/zinc/44/13/75/468441375.db2.gz VUEJEUHJOHTOTF-UHFFFAOYSA-N 1 0 341.799 2.388 10 5 EEBERO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000371235937 465660662 /nfs/dbraw/zinc/66/06/62/465660662.db2.gz NATCUUCBHLTKJR-CABCVRRESA-N 1 0 346.431 2.022 10 5 EEBERO Cc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301852858 466046574 /nfs/dbraw/zinc/04/65/74/466046574.db2.gz QAHINTWSGDJKES-XYPWUTKMSA-N 1 0 345.447 2.045 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366991122 466059483 /nfs/dbraw/zinc/05/94/83/466059483.db2.gz WKOUJISJXLKYDH-LBPRGKRZSA-N 1 0 343.387 2.355 10 5 EEBERO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c2c(c1)COCO2 ZINC000367065780 466105828 /nfs/dbraw/zinc/10/58/28/466105828.db2.gz GXRNMQOEPIMIHG-QGZVFWFLSA-N 1 0 334.372 2.464 10 5 EEBERO COc1cc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000302871253 466201519 /nfs/dbraw/zinc/20/15/19/466201519.db2.gz YZRRLWJUTKJLHI-TXEJJXNPSA-N 1 0 341.383 2.288 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000372268598 466260807 /nfs/dbraw/zinc/26/08/07/466260807.db2.gz ZVUBGOPQPXVQBS-GDBMZVCRSA-N 1 0 326.356 2.165 10 5 EEBERO Cn1cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597210981 468481650 /nfs/dbraw/zinc/48/16/50/468481650.db2.gz JJDPVKIHHNAHQF-YJBOKZPZSA-N 1 0 342.399 2.464 10 5 EEBERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000372280587 466273585 /nfs/dbraw/zinc/27/35/85/466273585.db2.gz FCMIAEFKXRNDQR-LSDHHAIUSA-N 1 0 336.388 2.446 10 5 EEBERO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1[N+](=O)[O-] ZINC000367656701 466473670 /nfs/dbraw/zinc/47/36/70/466473670.db2.gz FHVOIJQVJAFUPW-CQSZACIVSA-N 1 0 327.388 2.655 10 5 EEBERO CO[C@@H](C)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000354460455 466583756 /nfs/dbraw/zinc/58/37/56/466583756.db2.gz RVTZAWVSUVKFTH-ZFWWWQNUSA-N 1 0 326.393 2.080 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415481783 466686499 /nfs/dbraw/zinc/68/64/99/466686499.db2.gz JBWPDNVJNDUJSO-LBPRGKRZSA-N 1 0 328.319 2.330 10 5 EEBERO CN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000424304864 467026515 /nfs/dbraw/zinc/02/65/15/467026515.db2.gz APXYGKXZPWOGTL-CZUORRHYSA-N 1 0 331.416 2.374 10 5 EEBERO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000531615718 468065863 /nfs/dbraw/zinc/06/58/63/468065863.db2.gz ANPAINFNCWISMA-ZDUSSCGKSA-N 1 0 338.408 2.235 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000589496730 468157361 /nfs/dbraw/zinc/15/73/61/468157361.db2.gz IYJVRXUDNPAFQX-INIZCTEOSA-N 1 0 347.415 2.442 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600675400 468617542 /nfs/dbraw/zinc/61/75/42/468617542.db2.gz MIIAGSURDBDSIE-CQSZACIVSA-N 1 0 335.404 2.198 10 5 EEBERO CC(C)(NC(=O)[C@H]1CCc2nc[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000597688313 468639050 /nfs/dbraw/zinc/63/90/50/468639050.db2.gz KWBJHVGLLOVCFD-NSHDSACASA-N 1 0 328.372 2.474 10 5 EEBERO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000594712222 468660089 /nfs/dbraw/zinc/66/00/89/468660089.db2.gz UETRPMFELNDFIZ-GFCCVEGCSA-N 1 0 326.418 2.460 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592475877 468705307 /nfs/dbraw/zinc/70/53/07/468705307.db2.gz CQFGWARPVPHRMW-HUUCEWRRSA-N 1 0 346.431 2.306 10 5 EEBERO CCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](CC)C1 ZINC000598038911 468745652 /nfs/dbraw/zinc/74/56/52/468745652.db2.gz HCFHPYKSAPLDOF-NSHDSACASA-N 1 0 341.358 2.358 10 5 EEBERO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598040124 468746493 /nfs/dbraw/zinc/74/64/93/468746493.db2.gz CUCAILNRJOHQSZ-AWEZNQCLSA-N 1 0 335.404 2.089 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601120755 468749581 /nfs/dbraw/zinc/74/95/81/468749581.db2.gz NFTXIQVAWCUSJB-ZDUSSCGKSA-N 1 0 330.388 2.036 10 5 EEBERO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601164217 468767081 /nfs/dbraw/zinc/76/70/81/468767081.db2.gz XEOKTLNYBOSROJ-NXEZZACHSA-N 1 0 347.341 2.410 10 5 EEBERO CC1([NH+]2CCCC2)CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000601215659 468784721 /nfs/dbraw/zinc/78/47/21/468784721.db2.gz AINVLHLLIJRXQE-UHFFFAOYSA-N 1 0 334.420 2.124 10 5 EEBERO CCC1([NH+](C)C)CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000601229630 468790342 /nfs/dbraw/zinc/79/03/42/468790342.db2.gz VYIQURPPNDMZKK-UHFFFAOYSA-N 1 0 336.392 2.087 10 5 EEBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000601232151 468790933 /nfs/dbraw/zinc/79/09/33/468790933.db2.gz GUQVFTGGAVQUII-UHFFFAOYSA-N 1 0 334.420 2.414 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601409559 468862216 /nfs/dbraw/zinc/86/22/16/468862216.db2.gz RUGYZIBOYGNWCM-UHFFFAOYSA-N 1 0 347.462 2.071 10 5 EEBERO COCC[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593101700 468871588 /nfs/dbraw/zinc/87/15/88/468871588.db2.gz ROGSZGOSOAGBJQ-UHFFFAOYSA-N 1 0 325.384 2.277 10 5 EEBERO CCN1CCCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601439412 468873410 /nfs/dbraw/zinc/87/34/10/468873410.db2.gz GTEKUMFKXTZRMR-SNVBAGLBSA-N 1 0 347.462 2.070 10 5 EEBERO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601468147 468887576 /nfs/dbraw/zinc/88/75/76/468887576.db2.gz IXXWYSAZZVFAIC-LLVKDONJSA-N 1 0 347.462 2.070 10 5 EEBERO C[C@@]1(C2CC2)CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000595618966 468926532 /nfs/dbraw/zinc/92/65/32/468926532.db2.gz XFPBHTMVDPLWNF-KRWDZBQOSA-N 1 0 334.372 2.462 10 5 EEBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000586792337 469068149 /nfs/dbraw/zinc/06/81/49/469068149.db2.gz LKROOTRGOWXIIV-CYBMUJFWSA-N 1 0 343.387 2.055 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](O)[C@H]3CCCO3)o2)c1 ZINC000598989860 469079480 /nfs/dbraw/zinc/07/94/80/469079480.db2.gz DIJVLWCOYOUVMH-NVXWUHKLSA-N 1 0 332.356 2.484 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@@]3(O)CCOC3)o2)c1 ZINC000593670248 469087124 /nfs/dbraw/zinc/08/71/24/469087124.db2.gz HAHVGORWTJYMIV-QGZVFWFLSA-N 1 0 332.356 2.486 10 5 EEBERO Cc1c(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cccc1[N+](=O)[O-] ZINC000595929498 469087921 /nfs/dbraw/zinc/08/79/21/469087921.db2.gz KPTLKEAWFOKLQN-LBPRGKRZSA-N 1 0 344.375 2.062 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935024 469090572 /nfs/dbraw/zinc/09/05/72/469090572.db2.gz QNDAGILOUMIXKE-AWEZNQCLSA-N 1 0 332.404 2.150 10 5 EEBERO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595959197 469097620 /nfs/dbraw/zinc/09/76/20/469097620.db2.gz CFKHHJITAJOJSM-ZDUSSCGKSA-N 1 0 332.404 2.029 10 5 EEBERO CC1(C)[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000596065082 469135357 /nfs/dbraw/zinc/13/53/57/469135357.db2.gz DDBUIKLRURLJMN-GFCCVEGCSA-N 1 0 348.371 2.249 10 5 EEBERO COC(=O)c1c(Cl)c(N(C)CC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000596452905 469271099 /nfs/dbraw/zinc/27/10/99/469271099.db2.gz IIUDQTACIJWUGK-UHFFFAOYSA-N 1 0 327.768 2.033 10 5 EEBERO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cccs1 ZINC000611525118 469272453 /nfs/dbraw/zinc/27/24/53/469272453.db2.gz IYVNUSFLJBTOIW-ZDUSSCGKSA-N 1 0 336.417 2.446 10 5 EEBERO O=c1ccc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000599640873 469320000 /nfs/dbraw/zinc/32/00/00/469320000.db2.gz IDQJBRDCUMBCMY-OAHLLOKOSA-N 1 0 330.344 2.306 10 5 EEBERO COC[C@@]1(C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000599699507 469343135 /nfs/dbraw/zinc/34/31/35/469343135.db2.gz SUGYAQNUURZTLQ-QGZVFWFLSA-N 1 0 347.371 2.487 10 5 EEBERO CSc1cccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000614410559 469934113 /nfs/dbraw/zinc/93/41/13/469934113.db2.gz GVLWDBIASSROEE-UHFFFAOYSA-N 1 0 349.416 2.327 10 5 EEBERO CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732036460 577143217 /nfs/dbraw/zinc/14/32/17/577143217.db2.gz RODRZHLLUZKMHU-JTQLQIEISA-N 1 0 325.315 2.182 10 5 EEBERO O=C(CC(F)(F)F)NCC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001692287050 1178836108 /nfs/dbraw/zinc/83/61/08/1178836108.db2.gz OKTXOLZRPWFWTK-UHFFFAOYSA-N 1 0 331.294 2.095 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001267500650 1179191120 /nfs/dbraw/zinc/19/11/20/1179191120.db2.gz BQMXGGWLTOTHBY-HZPDHXFCSA-N 1 0 337.395 2.208 10 5 EEBERO Cc1cc(C)cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001267838119 1180611543 /nfs/dbraw/zinc/61/15/43/1180611543.db2.gz VEEABDFYNZJSDF-IAGOWNOFSA-N 1 0 345.443 2.487 10 5 EEBERO Cc1c(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1C ZINC001268585476 1183376339 /nfs/dbraw/zinc/37/63/39/1183376339.db2.gz AQDPNQLSVHCBGI-ARJAWSKDSA-N 1 0 342.399 2.318 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cncc(F)c1 ZINC001268787149 1183705048 /nfs/dbraw/zinc/70/50/48/1183705048.db2.gz JZBAWOFOHPDYSF-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO Cc1ccc(F)c(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001269545453 1184370310 /nfs/dbraw/zinc/37/03/10/1184370310.db2.gz QHCWLPJMKPYCIE-GDBMZVCRSA-N 1 0 349.406 2.318 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCCS1 ZINC000872224071 1198097267 /nfs/dbraw/zinc/09/72/67/1198097267.db2.gz UIUBNFLUPFLZDL-QWHCGFSZSA-N 1 0 326.418 2.210 10 5 EEBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315269 1198142206 /nfs/dbraw/zinc/14/22/06/1198142206.db2.gz QSYSJIVZKDVKIV-WBVHZDCISA-N 1 0 347.371 2.194 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1coc(C)n1 ZINC001273341918 1198248767 /nfs/dbraw/zinc/24/87/67/1198248767.db2.gz WLFJBURAPJNZID-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000865996761 1198448832 /nfs/dbraw/zinc/44/88/32/1198448832.db2.gz OKBZLHJVDVTVAV-ZDUSSCGKSA-N 1 0 330.388 2.400 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@@H+]2C2CCCCCC2)n1 ZINC000870731769 1200839470 /nfs/dbraw/zinc/83/94/70/1200839470.db2.gz BMYSKVWHDYZVEZ-ZDUSSCGKSA-N 1 0 336.392 2.282 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000866382164 1201503820 /nfs/dbraw/zinc/50/38/20/1201503820.db2.gz USVKUTPIMWYWOQ-SJCJKPOMSA-N 1 0 340.395 2.432 10 5 EEBERO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149050843 1202191037 /nfs/dbraw/zinc/19/10/37/1202191037.db2.gz DUHYXGQDKCVKLG-VHSXEESVSA-N 1 0 343.815 2.164 10 5 EEBERO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000932064104 1207529274 /nfs/dbraw/zinc/52/92/74/1207529274.db2.gz YHROOZBRFAPADG-DVOMOZLQSA-N 1 0 334.372 2.105 10 5 EEBERO COc1cc(CN(CCS(C)(=O)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000778947894 1208415950 /nfs/dbraw/zinc/41/59/50/1208415950.db2.gz STWDAQNOSSXVNK-UHFFFAOYSA-N 1 0 344.433 2.249 10 5 EEBERO C[C@@H]1[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000903300102 1240205081 /nfs/dbraw/zinc/20/50/81/1240205081.db2.gz GESOGZBCLMTGFN-KCXAZCMYSA-N 1 0 329.404 2.100 10 5 EEBERO Nc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000850716735 1277312013 /nfs/dbraw/zinc/31/20/13/1277312013.db2.gz XPVHUJSWESTFAK-ZFWWWQNUSA-N 1 0 332.404 2.171 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC001197283834 1284549515 /nfs/dbraw/zinc/54/95/15/1284549515.db2.gz DYLAWRTVPKJFJF-WBVHZDCISA-N 1 0 349.387 2.233 10 5 EEBERO CC(C)(O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001197494088 1284659951 /nfs/dbraw/zinc/65/99/51/1284659951.db2.gz BZTVSZUIACGIKO-GFCCVEGCSA-N 1 0 332.360 2.238 10 5 EEBERO COC(=O)C1=CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000858472924 1294127329 /nfs/dbraw/zinc/12/73/29/1294127329.db2.gz KUXADNKRWRWOCB-HNNXBMFYSA-N 1 0 345.399 2.415 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000861350707 1295359467 /nfs/dbraw/zinc/35/94/67/1295359467.db2.gz FCTBXGHLDFQFNO-YLQAJVPDSA-N 1 0 336.388 2.351 10 5 EEBERO O=C(OCC12CCC[NH+](CCC1)C2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000861359934 1295372834 /nfs/dbraw/zinc/37/28/34/1295372834.db2.gz ASXBQXBGYBYKIY-UHFFFAOYSA-N 1 0 348.355 2.356 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861499166 1295425182 /nfs/dbraw/zinc/42/51/82/1295425182.db2.gz XLZOUBSFUVUZAZ-LLVKDONJSA-N 1 0 343.811 2.071 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927038771 1296995464 /nfs/dbraw/zinc/99/54/64/1296995464.db2.gz LGLXMTHLFIAJHB-YEWTVFCHSA-N 1 0 336.413 2.280 10 5 EEBERO Cc1nn(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000799158664 1305169723 /nfs/dbraw/zinc/16/97/23/1305169723.db2.gz PTEDDLLBRGLVHZ-CYBMUJFWSA-N 1 0 338.371 2.490 10 5 EEBERO C[C@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000843089854 1315839533 /nfs/dbraw/zinc/83/95/33/1315839533.db2.gz UAXVFJVCNCAJRY-JECHBYEQSA-N 1 0 334.347 2.479 10 5 EEBERO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843469857 1315919883 /nfs/dbraw/zinc/91/98/83/1315919883.db2.gz YGGWZPFEKJGFAU-PHIMTYICSA-N 1 0 341.770 2.283 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CC[C@H]4C[N@H+](C)C[C@@H]43)c2c1 ZINC001164380668 1321367417 /nfs/dbraw/zinc/36/74/17/1321367417.db2.gz YQIWJVJMARVAGG-HZUKXOBISA-N 1 0 342.399 2.326 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001261883684 1322193235 /nfs/dbraw/zinc/19/32/35/1322193235.db2.gz OQVPWNBYFZEEHG-UHFFFAOYSA-N 1 0 331.416 2.472 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(Cl)c1F ZINC001264984815 1322833023 /nfs/dbraw/zinc/83/30/23/1322833023.db2.gz BFRVWRPIRYMLIK-DGCLKSJQSA-N 1 0 343.786 2.082 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001290306250 1328173251 /nfs/dbraw/zinc/17/32/51/1328173251.db2.gz MIBNKXWAOZPGKD-MRXNPFEDSA-N 1 0 346.362 2.470 10 5 EEBERO CCc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC001305227224 1331414298 /nfs/dbraw/zinc/41/42/98/1331414298.db2.gz URTGMAGNSMFBEN-OCCSQVGLSA-N 1 0 349.435 2.215 10 5 EEBERO C[N@H+](CCNC(=O)c1cnc(C2CC2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317449974 1332247007 /nfs/dbraw/zinc/24/70/07/1332247007.db2.gz MQJKLACVYHGHPU-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO COc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC001329234196 1334612517 /nfs/dbraw/zinc/61/25/17/1334612517.db2.gz BJUCAGVXCPDRDG-UHFFFAOYSA-N 1 0 344.371 2.159 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582719 1338724620 /nfs/dbraw/zinc/72/46/20/1338724620.db2.gz HMXUHRPXLMIWPZ-LLVKDONJSA-N 1 0 343.330 2.024 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC([NH2+]C3CCOCC3)C2)c(C(F)F)c1 ZINC001612903625 1352312219 /nfs/dbraw/zinc/31/22/19/1352312219.db2.gz RFLPMYPPJJRYFB-UHFFFAOYSA-N 1 0 327.331 2.490 10 5 EEBERO O=C(Cc1ccc[nH]1)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001565877876 1342449845 /nfs/dbraw/zinc/44/98/45/1342449845.db2.gz HMFNYDXYHPRFKT-KOMQPUFPSA-N 1 0 342.399 2.150 10 5 EEBERO CC(C)(C)CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001570052405 1343005109 /nfs/dbraw/zinc/00/51/09/1343005109.db2.gz SSYCKSUTHVOOHU-HUUCEWRRSA-N 1 0 337.464 2.402 10 5 EEBERO O=C(N[C@H](CO)Cc1c[nH]cn1)c1cc2ccccc2c2cccnc12 ZINC001587874114 1348873687 /nfs/dbraw/zinc/87/36/87/1348873687.db2.gz CJEIYIJWSYVRMZ-HNNXBMFYSA-N 1 0 346.390 2.445 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001623317616 1352394546 /nfs/dbraw/zinc/39/45/46/1352394546.db2.gz XFRHHDIUFDRFSM-UKRRQHHQSA-N 1 0 349.435 2.075 10 5 EEBERO COc1cccc(C(=O)NCCCCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001649194317 1352405920 /nfs/dbraw/zinc/40/59/20/1352405920.db2.gz SNOMEXXHKIQVIL-UHFFFAOYSA-N 1 0 344.371 2.333 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001625506660 1352450466 /nfs/dbraw/zinc/45/04/66/1352450466.db2.gz IXXSLZFDHIJITJ-SGMGOOAPSA-N 1 0 334.420 2.394 10 5 EEBERO CC1CC[NH+](CC[C@H]2CCCN2Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC001644158369 1352758589 /nfs/dbraw/zinc/75/85/89/1352758589.db2.gz RFIPHAAUIZBDBD-MRXNPFEDSA-N 1 0 335.452 2.415 10 5 EEBERO COc1cc(OCC(=O)Nc2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC001647938489 1353409612 /nfs/dbraw/zinc/40/96/12/1353409612.db2.gz TWDWSNDPVGROCF-UHFFFAOYSA-N 1 0 342.311 2.269 10 5 EEBERO O=C(CC[N@@H+]1CC[C@H](c2cnccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660351937 1354446368 /nfs/dbraw/zinc/44/63/68/1354446368.db2.gz JANPBDUAXDEWBZ-ZDUSSCGKSA-N 1 0 341.371 2.203 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1c(C)noc1C ZINC001668357171 1355929095 /nfs/dbraw/zinc/92/90/95/1355929095.db2.gz CWZKYVMKOMUPCU-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO O=C(Cc1ccco1)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001669097067 1356093471 /nfs/dbraw/zinc/09/34/71/1356093471.db2.gz OPDGLJNMBGOSOS-UPHRSURJSA-N 1 0 329.356 2.193 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc(C3CCC3)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699650845 1405430528 /nfs/dbraw/zinc/43/05/28/1405430528.db2.gz GRBQGCJRGDSVST-IAGOWNOFSA-N 1 0 343.427 2.358 10 5 EEBERO C/C(=C/C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000911828353 787746465 /nfs/dbraw/zinc/74/64/65/787746465.db2.gz BITWGGMKUWRXQP-VGAQJYNHSA-N 1 0 329.400 2.408 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000844655193 789278349 /nfs/dbraw/zinc/27/83/49/789278349.db2.gz YSYAVSRDQDYRAE-UHFFFAOYSA-N 1 0 341.383 2.207 10 5 EEBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000096628233 797724207 /nfs/dbraw/zinc/72/42/07/797724207.db2.gz MWOIUUIVUZJSGU-CQSZACIVSA-N 1 0 334.420 2.243 10 5 EEBERO CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000788920249 807761608 /nfs/dbraw/zinc/76/16/08/807761608.db2.gz QBFZBYDSJPIXJB-NSHDSACASA-N 1 0 349.478 2.301 10 5 EEBERO O=C(NCCNc1cc[nH+]cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000794157148 810714566 /nfs/dbraw/zinc/71/45/66/810714566.db2.gz BSOICSZKVGFQBJ-UHFFFAOYSA-N 1 0 335.751 2.299 10 5 EEBERO NC(=O)c1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001458221057 1109845588 /nfs/dbraw/zinc/84/55/88/1109845588.db2.gz SSGMCDRTFSTNFZ-AWEZNQCLSA-N 1 0 332.404 2.370 10 5 EEBERO Cc1ncoc1C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001502170640 1113626104 /nfs/dbraw/zinc/62/61/04/1113626104.db2.gz XGCWUBOPOGCUPP-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068224286 201163604 /nfs/dbraw/zinc/16/36/04/201163604.db2.gz IQGUMAWFRLIWFA-AWEZNQCLSA-N 1 0 337.420 2.456 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069452543 203003451 /nfs/dbraw/zinc/00/34/51/203003451.db2.gz HSJMBMTZDNNJAV-LBPRGKRZSA-N 1 0 341.795 2.089 10 5 EEBERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045623313 204328773 /nfs/dbraw/zinc/32/87/73/204328773.db2.gz HKMXKMVIDQMOQN-VXGBXAGGSA-N 1 0 342.193 2.357 10 5 EEBERO CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1CCOC ZINC000177054973 207290522 /nfs/dbraw/zinc/29/05/22/207290522.db2.gz GUWCCVODWFQBTL-ZDUSSCGKSA-N 1 0 348.403 2.279 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000177770407 207394495 /nfs/dbraw/zinc/39/44/95/207394495.db2.gz CPWFJOIIKOFMDW-HUUCEWRRSA-N 1 0 346.431 2.400 10 5 EEBERO O=[N+]([O-])c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000177781375 207395731 /nfs/dbraw/zinc/39/57/31/207395731.db2.gz FBYFNEAWLWSMDN-OAHLLOKOSA-N 1 0 333.388 2.131 10 5 EEBERO COc1ccc(OC)c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000181954462 532984456 /nfs/dbraw/zinc/98/44/56/532984456.db2.gz JKXJYBRPVRAWSZ-LBPRGKRZSA-N 1 0 347.371 2.125 10 5 EEBERO COc1cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000339762233 286221999 /nfs/dbraw/zinc/22/19/99/286221999.db2.gz TYKVJBOSUQTRLJ-IAGOWNOFSA-N 1 0 336.388 2.013 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000079856484 159135743 /nfs/dbraw/zinc/13/57/43/159135743.db2.gz HQSGUOADHDHDFM-UHFFFAOYSA-N 1 0 348.447 2.269 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000104080134 159282294 /nfs/dbraw/zinc/28/22/94/159282294.db2.gz AURQEUXMOUPGCD-CQSZACIVSA-N 1 0 346.431 2.482 10 5 EEBERO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000188256350 160120473 /nfs/dbraw/zinc/12/04/73/160120473.db2.gz NFSYOOGDXPBLGY-UHFFFAOYSA-N 1 0 347.462 2.153 10 5 EEBERO CCOCC[N@@H+]1CCN(c2c([N+](=O)[O-])c(C)nn2CC)C[C@@H]1CC ZINC000192568517 160171965 /nfs/dbraw/zinc/17/19/65/160171965.db2.gz OMVHRBHXSGELIB-AWEZNQCLSA-N 1 0 339.440 2.057 10 5 EEBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195314046 160210038 /nfs/dbraw/zinc/21/00/38/160210038.db2.gz QJVQGMJULGWPIX-OAHLLOKOSA-N 1 0 344.415 2.115 10 5 EEBERO COc1ccc(OCCN2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248345475 160341797 /nfs/dbraw/zinc/34/17/97/160341797.db2.gz MUYSJGQDRBNULI-AWEZNQCLSA-N 1 0 335.404 2.152 10 5 EEBERO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000349253146 161539731 /nfs/dbraw/zinc/53/97/31/161539731.db2.gz PQZDSWHUZQEFSF-INIZCTEOSA-N 1 0 349.431 2.476 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000352865592 162319913 /nfs/dbraw/zinc/31/99/13/162319913.db2.gz CDMBZSQKVPVZSW-UHFFFAOYSA-N 1 0 340.383 2.255 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123879866 222346181 /nfs/dbraw/zinc/34/61/81/222346181.db2.gz GPNNOMWWQHWKSH-ZIAGYGMSSA-N 1 0 334.420 2.256 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000191782134 274052283 /nfs/dbraw/zinc/05/22/83/274052283.db2.gz VJIGJTSHWWFVOW-WBMJQRKESA-N 1 0 337.424 2.052 10 5 EEBERO CC[NH+](CC)[C@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000288174790 275031796 /nfs/dbraw/zinc/03/17/96/275031796.db2.gz BBYMORRXRMZHAZ-LBPRGKRZSA-N 1 0 336.392 2.005 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000290860042 275246964 /nfs/dbraw/zinc/24/69/64/275246964.db2.gz OXVRTSMKWCFHAQ-QGZVFWFLSA-N 1 0 337.395 2.466 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301710987 294886238 /nfs/dbraw/zinc/88/62/38/294886238.db2.gz XUYYGBSJBVMWQG-GHMZBOCLSA-N 1 0 334.376 2.210 10 5 EEBERO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000284729212 311503985 /nfs/dbraw/zinc/50/39/85/311503985.db2.gz KFNLEPFMPCKTMP-UHFFFAOYSA-N 1 0 337.332 2.469 10 5 EEBERO CC(C)C1(c2ccccc2)C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000414199703 312981383 /nfs/dbraw/zinc/98/13/83/312981383.db2.gz ZGPGKRNMVNKGHE-KRWDZBQOSA-N 1 0 344.415 2.062 10 5 EEBERO C[C@H](C[NH3+])N(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415703216 313168959 /nfs/dbraw/zinc/16/89/59/313168959.db2.gz QICYWZHUHOGQIG-SSDOTTSWSA-N 1 0 331.170 2.168 10 5 EEBERO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421395458 314096378 /nfs/dbraw/zinc/09/63/78/314096378.db2.gz YKZSHBYNVMDUKL-LBPRGKRZSA-N 1 0 329.356 2.423 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000434497091 314843349 /nfs/dbraw/zinc/84/33/49/314843349.db2.gz LYDRMYQTYTVBGR-INIZCTEOSA-N 1 0 348.378 2.113 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000522156960 316955362 /nfs/dbraw/zinc/95/53/62/316955362.db2.gz MSPVFGDDNILCAX-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542120291 318121988 /nfs/dbraw/zinc/12/19/88/318121988.db2.gz RBBHURWIKFEAPE-BFCNOCSMSA-N 1 0 340.383 2.295 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000577215871 320242649 /nfs/dbraw/zinc/24/26/49/320242649.db2.gz XRMNGAHDCSJUOH-IAGOWNOFSA-N 1 0 342.395 2.482 10 5 EEBERO COCCn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000578277710 320304860 /nfs/dbraw/zinc/30/48/60/320304860.db2.gz LUFRTMVAAONCLZ-UHFFFAOYSA-N 1 0 343.387 2.251 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000113224232 462577628 /nfs/dbraw/zinc/57/76/28/462577628.db2.gz RDCYGDZTAQELHU-WCQYABFASA-N 1 0 328.372 2.385 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000047216345 462756520 /nfs/dbraw/zinc/75/65/20/462756520.db2.gz PFKNSXJFCZPXOX-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H]1C[NH2+]CCO1 ZINC000094296455 463064099 /nfs/dbraw/zinc/06/40/99/463064099.db2.gz MAJHHWONTVTNHJ-SNVBAGLBSA-N 1 0 331.166 2.033 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000178633576 463934507 /nfs/dbraw/zinc/93/45/07/463934507.db2.gz ZKNXSNUBVSHAOY-UONOGXRCSA-N 1 0 332.404 2.010 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000178704443 463946231 /nfs/dbraw/zinc/94/62/31/463946231.db2.gz XQJSKPWVTOJSLU-CZUORRHYSA-N 1 0 334.420 2.467 10 5 EEBERO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1 ZINC000298694173 465475185 /nfs/dbraw/zinc/47/51/85/465475185.db2.gz BYNXHDLJTXAYHM-AWEZNQCLSA-N 1 0 335.408 2.011 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246257741 464564522 /nfs/dbraw/zinc/56/45/22/464564522.db2.gz TXMOEMWMLXYFCX-STQMWFEESA-N 1 0 341.433 2.006 10 5 EEBERO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1CCO ZINC000190248993 464613494 /nfs/dbraw/zinc/61/34/94/464613494.db2.gz WYVOJLPZJLIYOI-CQSZACIVSA-N 1 0 345.399 2.353 10 5 EEBERO C[NH+](C)C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000183576657 464881213 /nfs/dbraw/zinc/88/12/13/464881213.db2.gz QZESNTDKWILTRV-AWEZNQCLSA-N 1 0 329.360 2.414 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249591995 464896283 /nfs/dbraw/zinc/89/62/83/464896283.db2.gz VQZINCQRVZOJGC-PXAZEXFGSA-N 1 0 335.404 2.325 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000593918790 468434101 /nfs/dbraw/zinc/43/41/01/468434101.db2.gz JFZZHFFGQKAJTF-UTUOFQBUSA-N 1 0 339.417 2.157 10 5 EEBERO CCOc1cc(NC(=O)NC/C=C/C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000591274101 468435737 /nfs/dbraw/zinc/43/57/37/468435737.db2.gz NULDNXRQPJGWNW-AATRIKPKSA-N 1 0 338.364 2.029 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000339969525 465646180 /nfs/dbraw/zinc/64/61/80/465646180.db2.gz QGAHJPCRBZOKIR-CQSZACIVSA-N 1 0 332.404 2.648 10 5 EEBERO CNc1c(C(=O)NC2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000360937045 465646550 /nfs/dbraw/zinc/64/65/50/465646550.db2.gz HZVIBEBWBWVDLH-UHFFFAOYSA-N 1 0 334.420 2.487 10 5 EEBERO CCC[C@@H](C)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000348921958 465875061 /nfs/dbraw/zinc/87/50/61/465875061.db2.gz PUSKKICZNGFFQD-GFCCVEGCSA-N 1 0 343.449 2.200 10 5 EEBERO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCC(C)CC1 ZINC000301064959 465892993 /nfs/dbraw/zinc/89/29/93/465892993.db2.gz DHWKGTWEZXXPPU-HNNXBMFYSA-N 1 0 349.435 2.257 10 5 EEBERO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362662752 465921763 /nfs/dbraw/zinc/92/17/63/465921763.db2.gz IVAIBBLQMXHCFT-NSHDSACASA-N 1 0 341.358 2.264 10 5 EEBERO Cc1ccncc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361437714 465996033 /nfs/dbraw/zinc/99/60/33/465996033.db2.gz OOYLBNZNLGDCJR-INIZCTEOSA-N 1 0 331.372 2.170 10 5 EEBERO C[NH+](C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccs1 ZINC000301844767 466044389 /nfs/dbraw/zinc/04/43/89/466044389.db2.gz SMSAXJIEFYIVTP-SNVBAGLBSA-N 1 0 332.389 2.414 10 5 EEBERO COc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000338718161 466332420 /nfs/dbraw/zinc/33/24/20/466332420.db2.gz QIQVNZHXOICGMJ-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363419523 466392902 /nfs/dbraw/zinc/39/29/02/466392902.db2.gz VXNHTYDRCAJZQB-YJBOKZPZSA-N 1 0 332.448 2.368 10 5 EEBERO CN(CC[NH+](C)C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347148508 466431498 /nfs/dbraw/zinc/43/14/98/466431498.db2.gz CSJKTWBFNSCNHD-UHFFFAOYSA-N 1 0 345.197 2.383 10 5 EEBERO Cc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000365409052 466809306 /nfs/dbraw/zinc/80/93/06/466809306.db2.gz FWRMAJBIYQRMNL-UHFFFAOYSA-N 1 0 332.404 2.232 10 5 EEBERO CN1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000377675700 467113521 /nfs/dbraw/zinc/11/35/21/467113521.db2.gz UTGNYEBOMHCOAD-GDBMZVCRSA-N 1 0 349.822 2.480 10 5 EEBERO C[C@@](CO)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000451028113 467229653 /nfs/dbraw/zinc/22/96/53/467229653.db2.gz CHTSFMDTUHLYGJ-KRWDZBQOSA-N 1 0 332.356 2.177 10 5 EEBERO C[C@@H](Nc1ccc(I)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381395114 467374867 /nfs/dbraw/zinc/37/48/67/467374867.db2.gz TWAFRPVDHRZCPJ-NKWVEPMBSA-N 1 0 335.145 2.347 10 5 EEBERO CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000448957232 467607835 /nfs/dbraw/zinc/60/78/35/467607835.db2.gz USIPFKPSTUGTKZ-MRXNPFEDSA-N 1 0 345.399 2.110 10 5 EEBERO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000487547221 468044143 /nfs/dbraw/zinc/04/41/43/468044143.db2.gz FQOFMGPGYTTZMY-RISCZKNCSA-N 1 0 326.418 2.393 10 5 EEBERO CN(CCC[NH+]1CCCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487664571 468048889 /nfs/dbraw/zinc/04/88/89/468048889.db2.gz IVYZNEQJXPJURK-UHFFFAOYSA-N 1 0 341.358 2.360 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000488717751 468098513 /nfs/dbraw/zinc/09/85/13/468098513.db2.gz LGNQJWDURRDTIF-VHSXEESVSA-N 1 0 346.330 2.408 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000589494950 468156306 /nfs/dbraw/zinc/15/63/06/468156306.db2.gz BYBIIMQSYAOKQM-LBPRGKRZSA-N 1 0 334.372 2.382 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc([C@H]3COCC[NH2+]3)cc2)c1 ZINC000600791707 468659179 /nfs/dbraw/zinc/65/91/79/468659179.db2.gz FRERZVJXJWKCLW-GOSISDBHSA-N 1 0 328.368 2.458 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000601105214 468742538 /nfs/dbraw/zinc/74/25/38/468742538.db2.gz VRHABIYSEQKRBP-JTQLQIEISA-N 1 0 347.341 2.412 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000601121412 468750280 /nfs/dbraw/zinc/75/02/80/468750280.db2.gz OBSBQYHZVVHDPC-SNVBAGLBSA-N 1 0 347.341 2.269 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCO[C@H]1CC1(F)F ZINC000595069658 468751850 /nfs/dbraw/zinc/75/18/50/468751850.db2.gz POEAGSVXOBXJNS-MFKMUULPSA-N 1 0 343.330 2.326 10 5 EEBERO CCS(=O)(=O)C1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000595107296 468759852 /nfs/dbraw/zinc/75/98/52/468759852.db2.gz WYZHNJSABRCEAN-CYBMUJFWSA-N 1 0 340.445 2.473 10 5 EEBERO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595506039 468881085 /nfs/dbraw/zinc/88/10/85/468881085.db2.gz YOWIFMPGWWMHFF-QDMKHBRRSA-N 1 0 329.400 2.399 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595605792 468919405 /nfs/dbraw/zinc/91/94/05/468919405.db2.gz GICYWGCJOCTUHP-AWEZNQCLSA-N 1 0 345.403 2.496 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595630754 468930724 /nfs/dbraw/zinc/93/07/24/468930724.db2.gz BXLIGMFAZRKGCK-KFWWJZLASA-N 1 0 338.404 2.129 10 5 EEBERO CC(C)[C@@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[NH2+]1 ZINC000601675618 468962891 /nfs/dbraw/zinc/96/28/91/468962891.db2.gz OSLFFHCLYQZBPP-INIZCTEOSA-N 1 0 331.416 2.473 10 5 EEBERO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000595718689 468966597 /nfs/dbraw/zinc/96/65/97/468966597.db2.gz VBGIWPHESXNGMS-RDTXWAMCSA-N 1 0 348.399 2.385 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000593464596 468991331 /nfs/dbraw/zinc/99/13/31/468991331.db2.gz IZMKWFGGPUBMNV-CQSZACIVSA-N 1 0 342.399 2.302 10 5 EEBERO C[C@@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000601774768 469017521 /nfs/dbraw/zinc/01/75/21/469017521.db2.gz DMXYSKFNWPDFNK-KBXCAEBGSA-N 1 0 349.431 2.183 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595826979 469030577 /nfs/dbraw/zinc/03/05/77/469030577.db2.gz BPAFWOJFOVGOGV-IHRRRGAJSA-N 1 0 333.388 2.199 10 5 EEBERO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)Cc1ccccc1 ZINC000586980933 469082598 /nfs/dbraw/zinc/08/25/98/469082598.db2.gz ZKEAEQQNCIAPDL-INIZCTEOSA-N 1 0 344.415 2.254 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000593669881 469085850 /nfs/dbraw/zinc/08/58/50/469085850.db2.gz CEXPGJUYJUGHRL-LESCRADOSA-N 1 0 334.416 2.437 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)cs1 ZINC000599008991 469086944 /nfs/dbraw/zinc/08/69/44/469086944.db2.gz WSKGCFUXUOMLIE-OAHLLOKOSA-N 1 0 348.428 2.042 10 5 EEBERO C[N@H+](CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)Cc1ccc(F)cc1 ZINC000587991462 469100367 /nfs/dbraw/zinc/10/03/67/469100367.db2.gz AVOHIXQNLXGNHR-UHFFFAOYSA-N 1 0 348.378 2.352 10 5 EEBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COCCN1C ZINC000599080692 469110715 /nfs/dbraw/zinc/11/07/15/469110715.db2.gz QAODGFUMMMGDGS-UONOGXRCSA-N 1 0 339.461 2.386 10 5 EEBERO COc1ccc(CC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601972845 469120149 /nfs/dbraw/zinc/12/01/49/469120149.db2.gz GUSOPDWUFLTMJH-CYBMUJFWSA-N 1 0 335.404 2.040 10 5 EEBERO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602987627 469209191 /nfs/dbraw/zinc/20/91/91/469209191.db2.gz MMKYAOMBIGEIAB-SMDDNHRTSA-N 1 0 348.321 2.466 10 5 EEBERO Nc1cc(NCC[N@@H+]2CCc3ccccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000611525197 469272386 /nfs/dbraw/zinc/27/23/86/469272386.db2.gz KMAJZDOTYWHFDA-UHFFFAOYSA-N 1 0 342.399 2.140 10 5 EEBERO O=[N+]([O-])c1ccc2c(ccnc2N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000596539273 469296257 /nfs/dbraw/zinc/29/62/57/469296257.db2.gz NVCPJDLDLKDFIA-INIZCTEOSA-N 1 0 342.399 2.178 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@]4(CO)C3)o2)cc1 ZINC000599637237 469318415 /nfs/dbraw/zinc/31/84/15/469318415.db2.gz UAACWMJIDRXNEC-SUMWQHHRSA-N 1 0 344.371 2.239 10 5 EEBERO C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599833616 469386759 /nfs/dbraw/zinc/38/67/59/469386759.db2.gz VNDZFNSJUMTZOK-UHFFFAOYSA-N 1 0 329.360 2.312 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000604230538 469465202 /nfs/dbraw/zinc/46/52/02/469465202.db2.gz KQCWELIPPWJNHW-VIFPVBQESA-N 1 0 344.318 2.412 10 5 EEBERO O=C1[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1 ZINC000731676765 577116105 /nfs/dbraw/zinc/11/61/05/577116105.db2.gz URGHHGOLKVETKT-SJORKVTESA-N 1 0 341.367 2.023 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000747822990 577950685 /nfs/dbraw/zinc/95/06/85/577950685.db2.gz GJNILTQZPDVDRA-UONOGXRCSA-N 1 0 345.403 2.354 10 5 EEBERO Cc1c(Br)c(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ncc1[N+](=O)[O-] ZINC000261861731 681844147 /nfs/dbraw/zinc/84/41/47/681844147.db2.gz XXMNCMFEOGNIKL-GUBZILKMSA-N 1 0 341.209 2.234 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928433654 683113570 /nfs/dbraw/zinc/11/35/70/683113570.db2.gz AWPYVXULJNUTBD-PSASIEDQSA-N 1 0 329.303 2.019 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000928441719 683164396 /nfs/dbraw/zinc/16/43/96/683164396.db2.gz TUELDBIFFDYBLX-LDYMZIIASA-N 1 0 329.303 2.019 10 5 EEBERO O=C1N(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000895340689 684515850 /nfs/dbraw/zinc/51/58/50/684515850.db2.gz AKAJXCPIUUAQNC-GMNBZTITSA-N 1 0 344.415 2.488 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)c1ccnn1C ZINC000927127036 693299427 /nfs/dbraw/zinc/29/94/27/693299427.db2.gz PWPAYGLNNHCTMZ-YGRLFVJLSA-N 1 0 336.417 2.434 10 5 EEBERO COCC1(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001266591640 1176901308 /nfs/dbraw/zinc/90/13/08/1176901308.db2.gz RONYADCTYJYJEA-SHTZXODSSA-N 1 0 347.415 2.148 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cncc(F)c1 ZINC001266673471 1177158685 /nfs/dbraw/zinc/15/86/85/1177158685.db2.gz OYZWNNACBKLGNA-UHFFFAOYSA-N 1 0 338.364 2.052 10 5 EEBERO COCC(=O)NCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001267932185 1180782699 /nfs/dbraw/zinc/78/26/99/1180782699.db2.gz OLIWCEQMHHQCTB-UHFFFAOYSA-N 1 0 343.383 2.147 10 5 EEBERO Cc1c(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001482625938 1187450920 /nfs/dbraw/zinc/45/09/20/1187450920.db2.gz LFRBHUWPTMNALF-UHFFFAOYSA-N 1 0 344.415 2.446 10 5 EEBERO C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057767 1198036178 /nfs/dbraw/zinc/03/61/78/1198036178.db2.gz IBPBNWALTDKCHT-VXGBXAGGSA-N 1 0 340.351 2.307 10 5 EEBERO C[C@@H](NC[C@H]1CCC[N@@H+]1CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872076081 1198040717 /nfs/dbraw/zinc/04/07/17/1198040717.db2.gz XCSCLGHTPPNETH-CHWSQXEVSA-N 1 0 325.384 2.231 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1 ZINC001133153685 1200507396 /nfs/dbraw/zinc/50/73/96/1200507396.db2.gz NKLUCVFNXDBPPA-CYBMUJFWSA-N 1 0 341.371 2.044 10 5 EEBERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255946 1201476831 /nfs/dbraw/zinc/47/68/31/1201476831.db2.gz HFLMQOPKUFUZBE-BBRMVZONSA-N 1 0 339.411 2.365 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866721153 1201589440 /nfs/dbraw/zinc/58/94/40/1201589440.db2.gz KRMDQJXTKVWMCP-JKSUJKDBSA-N 1 0 332.404 2.058 10 5 EEBERO CC(=O)c1c(NCCN2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000882313029 1201848868 /nfs/dbraw/zinc/84/88/68/1201848868.db2.gz PUHYWYKZMGAKCS-UHFFFAOYSA-N 1 0 334.420 2.235 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cscn1 ZINC001275907548 1205580743 /nfs/dbraw/zinc/58/07/43/1205580743.db2.gz DHWBTFZTHFPCIY-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928083966 1206337215 /nfs/dbraw/zinc/33/72/15/1206337215.db2.gz BVCMFJYTZXYKMN-VBNZEHGJSA-N 1 0 349.456 2.394 10 5 EEBERO COc1cc(C[N@@H+]2[C@H](C)CC[C@H](C(N)=O)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000930911199 1206591899 /nfs/dbraw/zinc/59/18/99/1206591899.db2.gz LVXZOBXLTMGSAR-SCVCMEIPSA-N 1 0 339.367 2.217 10 5 EEBERO COc1ccc(OCCN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000931309874 1206623549 /nfs/dbraw/zinc/62/35/49/1206623549.db2.gz HOUJBLVROMVPHW-QZTJIDSGSA-N 1 0 349.431 2.256 10 5 EEBERO C[NH+](C)C1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000778266450 1208023548 /nfs/dbraw/zinc/02/35/48/1208023548.db2.gz PFVKBKJTWJSHJK-UHFFFAOYSA-N 1 0 327.331 2.239 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000902903701 1239000213 /nfs/dbraw/zinc/00/02/13/1239000213.db2.gz CGDQRCSAEQDMLR-KGLIPLIRSA-N 1 0 336.417 2.296 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1CC[NH2+]C12CCC2 ZINC000903468466 1240564473 /nfs/dbraw/zinc/56/44/73/1240564473.db2.gz LMRPREMVDBBKOM-HNNXBMFYSA-N 1 0 332.404 2.106 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cocn1 ZINC001273496014 1278593416 /nfs/dbraw/zinc/59/34/16/1278593416.db2.gz QOYGBKQFJMHUMJ-UHFFFAOYSA-N 1 0 332.360 2.177 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC001273929462 1289920851 /nfs/dbraw/zinc/92/08/51/1289920851.db2.gz SDFCDXMXUGAWJC-UPHRSURJSA-N 1 0 344.346 2.205 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000859776858 1294645146 /nfs/dbraw/zinc/64/51/46/1294645146.db2.gz BHIPSWCUQSWQBT-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000859829295 1294663403 /nfs/dbraw/zinc/66/34/03/1294663403.db2.gz PCJMMVGGRIXIAT-ZSYFIWHWSA-N 1 0 339.367 2.464 10 5 EEBERO Cn1nnc2c1C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000927142917 1297034625 /nfs/dbraw/zinc/03/46/25/1297034625.db2.gz AHVZHRTYCKXHHI-GDBMZVCRSA-N 1 0 341.415 2.192 10 5 EEBERO CCCOCC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001278030849 1305741353 /nfs/dbraw/zinc/74/13/53/1305741353.db2.gz CWJZGEGGLWKGLW-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841891817 1315631214 /nfs/dbraw/zinc/63/12/14/1315631214.db2.gz PMCCARPFBKBBLS-NWDGAFQWSA-N 1 0 327.812 2.135 10 5 EEBERO C[C@H](O)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000843086791 1315838425 /nfs/dbraw/zinc/83/84/25/1315838425.db2.gz JEBOVDLHDWCRQL-JECHBYEQSA-N 1 0 334.347 2.479 10 5 EEBERO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)COC1CCC([NH3+])CC1)CC2 ZINC000843493120 1315923083 /nfs/dbraw/zinc/92/30/83/1315923083.db2.gz CNVCMJWRGGHMOT-UHFFFAOYSA-N 1 0 333.388 2.079 10 5 EEBERO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c(N)c([N+](=O)[O-])c1 ZINC001149198626 1315930474 /nfs/dbraw/zinc/93/04/74/1315930474.db2.gz ZPDSEIJHIRNSNB-UONOGXRCSA-N 1 0 332.404 2.088 10 5 EEBERO CC[NH+](CC)CC[C@@H](C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001264012607 1322584397 /nfs/dbraw/zinc/58/43/97/1322584397.db2.gz RSPWUUOVGGHEJS-CYBMUJFWSA-N 1 0 337.420 2.383 10 5 EEBERO Cc1cc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)no1 ZINC001280465708 1324239484 /nfs/dbraw/zinc/23/94/84/1324239484.db2.gz OTJSQECTVRECFJ-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1[NH+](C)C ZINC001295851132 1329849119 /nfs/dbraw/zinc/84/91/19/1329849119.db2.gz CPTFATXJFIYZEN-KGLIPLIRSA-N 1 0 341.408 2.160 10 5 EEBERO Cc1ncc(CC(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001316831043 1331920569 /nfs/dbraw/zinc/92/05/69/1331920569.db2.gz XCLLHPBWSQZONT-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO CC[N@H+](CCCNC(=O)c1ccon1)Cc1ccccc1[N+](=O)[O-] ZINC001316886003 1331952076 /nfs/dbraw/zinc/95/20/76/1331952076.db2.gz QBBWWCRKZVUDJA-UHFFFAOYSA-N 1 0 332.360 2.225 10 5 EEBERO O=C(NCCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)F ZINC001316908979 1331974795 /nfs/dbraw/zinc/97/47/95/1331974795.db2.gz JGJFLVPQRFXGAM-UHFFFAOYSA-N 1 0 327.331 2.331 10 5 EEBERO Cc1nocc1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001317556860 1332296679 /nfs/dbraw/zinc/29/66/79/1332296679.db2.gz QHXWMSFDFONCMD-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)nc1 ZINC001320996099 1332993403 /nfs/dbraw/zinc/99/34/03/1332993403.db2.gz BRFTYZDCECVMJI-OWOJBTEDSA-N 1 0 344.346 2.205 10 5 EEBERO Cc1ccncc1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001321015629 1332998677 /nfs/dbraw/zinc/99/86/77/1332998677.db2.gz VIGQTXNMQFXZOE-NSCUHMNNSA-N 1 0 340.383 2.374 10 5 EEBERO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(c2nccn2C)CC1 ZINC001620549376 1352360327 /nfs/dbraw/zinc/36/03/27/1352360327.db2.gz ZSLMXYMCQRIIFS-CYBMUJFWSA-N 1 0 330.388 2.373 10 5 EEBERO Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC001567517116 1342776230 /nfs/dbraw/zinc/77/62/30/1342776230.db2.gz CMSNSGCQZDKDCT-UHFFFAOYSA-N 1 0 336.417 2.463 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)n1 ZINC001584910781 1348771395 /nfs/dbraw/zinc/77/13/95/1348771395.db2.gz IACQSKNVBYAETR-HNNXBMFYSA-N 1 0 343.387 2.116 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001624306773 1352418467 /nfs/dbraw/zinc/41/84/67/1352418467.db2.gz LOKIJUVNUBEUSS-INIZCTEOSA-N 1 0 328.372 2.331 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001632289981 1352595576 /nfs/dbraw/zinc/59/55/76/1352595576.db2.gz FKKHEGYAMXDKLJ-JTQLQIEISA-N 1 0 343.815 2.069 10 5 EEBERO C[C@@H]([NH2+]C[C@H](O)CN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001654747239 1354156512 /nfs/dbraw/zinc/15/65/12/1354156512.db2.gz PSQVOKXFEMWMAW-MFKMUULPSA-N 1 0 335.326 2.100 10 5 EEBERO Cc1noc(C[N@@H+]2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001660107358 1354397801 /nfs/dbraw/zinc/39/78/01/1354397801.db2.gz VGEVGXQDPQMPDD-WMLDXEAASA-N 1 0 329.356 2.291 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1oncc1C ZINC001668605322 1355971635 /nfs/dbraw/zinc/97/16/35/1355971635.db2.gz WZNDHBKIHPKPIU-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO Cc1cc(F)cc(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913282383 788759936 /nfs/dbraw/zinc/75/99/36/788759936.db2.gz GMLBSIASIMUCEJ-CALCHBBNSA-N 1 0 335.379 2.456 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC000921722016 795612767 /nfs/dbraw/zinc/61/27/67/795612767.db2.gz OCOLWIDFIUABFJ-UHFFFAOYSA-N 1 0 341.165 2.249 10 5 EEBERO C[C@H]([NH2+]C[C@H](O)CN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001176036857 798326550 /nfs/dbraw/zinc/32/65/50/798326550.db2.gz PSQVOKXFEMWMAW-GWCFXTLKSA-N 1 0 335.326 2.100 10 5 EEBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182455295 801188727 /nfs/dbraw/zinc/18/87/27/801188727.db2.gz UUQIAMCTGBJPHC-OAHLLOKOSA-N 1 0 340.383 2.175 10 5 EEBERO COc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000922522169 801237608 /nfs/dbraw/zinc/23/76/08/801237608.db2.gz BYKMQHUKUWJOJX-HIFRSBDPSA-N 1 0 337.445 2.273 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1sccc1Cl ZINC001566453018 1125611633 /nfs/dbraw/zinc/61/16/33/1125611633.db2.gz CGRPQDWKYCITPA-MWLCHTKSSA-N 1 0 331.825 2.005 10 5 EEBERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001446012701 1091996229 /nfs/dbraw/zinc/99/62/29/1091996229.db2.gz LGLKNCJMUIBUJJ-LLVKDONJSA-N 1 0 343.811 2.335 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC001444666620 1099505309 /nfs/dbraw/zinc/50/53/09/1099505309.db2.gz GRKYSQMAUARMPD-BXUZGUMPSA-N 1 0 349.387 2.440 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC001497552250 1102655943 /nfs/dbraw/zinc/65/59/43/1102655943.db2.gz OWRBFRYMAACHSE-UPHRSURJSA-N 1 0 344.346 2.205 10 5 EEBERO COc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001493738896 1108601526 /nfs/dbraw/zinc/60/15/26/1108601526.db2.gz PTOVDMXTDZTYTE-UHFFFAOYSA-N 1 0 333.344 2.058 10 5 EEBERO CCc1noc(C)c1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001493789239 1108668170 /nfs/dbraw/zinc/66/81/70/1108668170.db2.gz KVLQIZOGFSQOJQ-UHFFFAOYSA-N 1 0 346.387 2.315 10 5 EEBERO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001466636333 1110440099 /nfs/dbraw/zinc/44/00/99/1110440099.db2.gz RDEZHPCNGIJKOU-YGRLFVJLSA-N 1 0 329.360 2.427 10 5 EEBERO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001467938090 1110466449 /nfs/dbraw/zinc/46/64/49/1110466449.db2.gz LRZJNMGGXPRNMQ-UHFFFAOYSA-N 1 0 340.383 2.133 10 5 EEBERO Cc1ncc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001568823867 1124841844 /nfs/dbraw/zinc/84/18/44/1124841844.db2.gz SFRKHDOYMJUXIE-SNAWJCMRSA-N 1 0 346.412 2.436 10 5 EEBERO Cc1noc(C)c1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001569180764 1125149394 /nfs/dbraw/zinc/14/93/94/1125149394.db2.gz MBSMWPSVHLKZMZ-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000041912978 201095630 /nfs/dbraw/zinc/09/56/30/201095630.db2.gz RQYYCOXHAHKWJO-NSHDSACASA-N 1 0 339.392 2.072 10 5 EEBERO CCC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1CCOC ZINC000447677135 242303538 /nfs/dbraw/zinc/30/35/38/242303538.db2.gz HIHJUTGYXQVSEY-CQSZACIVSA-N 1 0 347.419 2.408 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000247193410 243391269 /nfs/dbraw/zinc/39/12/69/243391269.db2.gz LJEDVBKSDQQXNW-KGLIPLIRSA-N 1 0 333.388 2.059 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071888311 203138039 /nfs/dbraw/zinc/13/80/39/203138039.db2.gz FMGZZJAURDZSEU-GFCCVEGCSA-N 1 0 341.795 2.089 10 5 EEBERO CC[NH+](CC)Cc1cccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000270739518 256166945 /nfs/dbraw/zinc/16/69/45/256166945.db2.gz FSWZPXCNPSGTSM-UHFFFAOYSA-N 1 0 345.403 2.100 10 5 EEBERO CCOCCN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000119030169 292240353 /nfs/dbraw/zinc/24/03/53/292240353.db2.gz JMERKFXQCAKORG-HNNXBMFYSA-N 1 0 349.431 2.097 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)CC3CCCC3)C2)nc1 ZINC000249120177 160374147 /nfs/dbraw/zinc/37/41/47/160374147.db2.gz SOJRVJJEUKDSET-ZBFHGGJFSA-N 1 0 334.420 2.417 10 5 EEBERO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])cc1OC ZINC000093479764 159236730 /nfs/dbraw/zinc/23/67/30/159236730.db2.gz ODGWMIIEEOXTLH-GTKHYJCHSA-N 1 0 336.388 2.205 10 5 EEBERO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247064715 160307619 /nfs/dbraw/zinc/30/76/19/160307619.db2.gz RSKLXVIRJMJPDX-NSHDSACASA-N 1 0 337.351 2.195 10 5 EEBERO O=C(C[N@H+]1CCCCC[C@H]1CCO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000342055315 161036023 /nfs/dbraw/zinc/03/60/23/161036023.db2.gz AXBALLWLXIEPGQ-HNNXBMFYSA-N 1 0 347.415 2.111 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000346697808 161393104 /nfs/dbraw/zinc/39/31/04/161393104.db2.gz HAKBFJRHLDGMHX-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO CCOC(=O)c1ccnc(NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000358309907 163884810 /nfs/dbraw/zinc/88/48/10/163884810.db2.gz KFAZFGAXGSDZIV-UHFFFAOYSA-N 1 0 334.376 2.230 10 5 EEBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+]3CCC2CC3)c1 ZINC000368043852 166040355 /nfs/dbraw/zinc/04/03/55/166040355.db2.gz QJTMVIZUEZEMOL-UHFFFAOYSA-N 1 0 327.331 2.476 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000360242952 164265725 /nfs/dbraw/zinc/26/57/25/164265725.db2.gz SONVJGNKYNASLI-UHFFFAOYSA-N 1 0 349.778 2.373 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000272293210 268945233 /nfs/dbraw/zinc/94/52/33/268945233.db2.gz HLJTVWKUWQVXQS-OAHLLOKOSA-N 1 0 348.447 2.060 10 5 EEBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181317480 274213180 /nfs/dbraw/zinc/21/31/80/274213180.db2.gz GSYNTTVODYXZSW-ZDUSSCGKSA-N 1 0 342.399 2.427 10 5 EEBERO COc1cccc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000185196142 278015726 /nfs/dbraw/zinc/01/57/26/278015726.db2.gz BQSUTZUZNFRLPH-ZDUSSCGKSA-N 1 0 335.404 2.293 10 5 EEBERO O=C1C[C@H](C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CN1 ZINC000414214512 312983519 /nfs/dbraw/zinc/98/35/19/312983519.db2.gz ZDEBFFSDCQZZEE-SCLBCKFNSA-N 1 0 325.368 2.410 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000417713519 313574311 /nfs/dbraw/zinc/57/43/11/313574311.db2.gz HGXLKFXRUNUMIR-ZIAGYGMSSA-N 1 0 349.435 2.002 10 5 EEBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)Cc2ccccc2)n1 ZINC000554370985 318552606 /nfs/dbraw/zinc/55/26/06/318552606.db2.gz FYNCAMNWBWZVPQ-ULQDDVLXSA-N 1 0 344.415 2.468 10 5 EEBERO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000564884647 319122826 /nfs/dbraw/zinc/12/28/26/319122826.db2.gz KPNNABGSDRUKFZ-LLVKDONJSA-N 1 0 341.358 2.358 10 5 EEBERO CNc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000570281805 319652156 /nfs/dbraw/zinc/65/21/56/319652156.db2.gz LXUBDOCGKKRPLR-KRWDZBQOSA-N 1 0 340.383 2.335 10 5 EEBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@]1(C)C[NH3+] ZINC000388301754 323540171 /nfs/dbraw/zinc/54/01/71/323540171.db2.gz FGZUHAQHNWYJDY-PRHODGIISA-N 1 0 329.198 2.173 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342220934 465303820 /nfs/dbraw/zinc/30/38/20/465303820.db2.gz JGMWDLRGWYGKLV-VXGBXAGGSA-N 1 0 345.403 2.918 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000590654457 468296503 /nfs/dbraw/zinc/29/65/03/468296503.db2.gz BXYJKLHPMLDVDR-ZDUSSCGKSA-N 1 0 347.415 2.298 10 5 EEBERO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000089603140 462697861 /nfs/dbraw/zinc/69/78/61/462697861.db2.gz GWFSGGMUCMRXFC-LBPRGKRZSA-N 1 0 326.784 2.308 10 5 EEBERO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090068793 462771950 /nfs/dbraw/zinc/77/19/50/462771950.db2.gz DPQUIEBPGWGTEJ-YGRLFVJLSA-N 1 0 334.376 2.012 10 5 EEBERO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068549 462771978 /nfs/dbraw/zinc/77/19/78/462771978.db2.gz AXGDQJXOSYWDBU-RISCZKNCSA-N 1 0 336.392 2.258 10 5 EEBERO CC[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000117307617 462798255 /nfs/dbraw/zinc/79/82/55/462798255.db2.gz RQUVLCMVXNTBCG-YXMGTMDOSA-N 1 0 347.415 2.177 10 5 EEBERO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000049128860 462955533 /nfs/dbraw/zinc/95/55/33/462955533.db2.gz BUGMEJDEDWARND-WPRPVWTQSA-N 1 0 330.797 2.218 10 5 EEBERO CC(C)NC(=O)C[N@H+](C)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000095986698 463129165 /nfs/dbraw/zinc/12/91/65/463129165.db2.gz YRHCBGWEJXSYME-UHFFFAOYSA-N 1 0 340.449 2.082 10 5 EEBERO CCc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000081947597 463508209 /nfs/dbraw/zinc/50/82/09/463508209.db2.gz YCKSVJUJQVQPMV-UHFFFAOYSA-N 1 0 331.376 2.168 10 5 EEBERO O=C(C[N@H+]1CCC[C@H]1CCCO)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000072636089 463527938 /nfs/dbraw/zinc/52/79/38/463527938.db2.gz OCANEVADONFBCI-HNNXBMFYSA-N 1 0 347.415 2.111 10 5 EEBERO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277324019 463910325 /nfs/dbraw/zinc/91/03/25/463910325.db2.gz DOBSQVCSERZCQK-CABZTGNLSA-N 1 0 327.768 2.201 10 5 EEBERO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000172017543 463970225 /nfs/dbraw/zinc/97/02/25/463970225.db2.gz DBCNPBOGWUQPSV-ZDUSSCGKSA-N 1 0 341.433 2.056 10 5 EEBERO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174104829 464361153 /nfs/dbraw/zinc/36/11/53/464361153.db2.gz GRDDVEOAGGPYDK-XJKSGUPXSA-N 1 0 330.388 2.312 10 5 EEBERO CNC(=O)c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000264650634 464409456 /nfs/dbraw/zinc/40/94/56/464409456.db2.gz XBWNWONPBWKLMK-HNNXBMFYSA-N 1 0 346.431 2.409 10 5 EEBERO CC[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181533278 464501496 /nfs/dbraw/zinc/50/14/96/464501496.db2.gz UYQQKGHZJBXUMZ-DOTOQJQBSA-N 1 0 338.404 2.192 10 5 EEBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000249219102 464852818 /nfs/dbraw/zinc/85/28/18/464852818.db2.gz FTIBDLUIVBILNA-STQMWFEESA-N 1 0 334.401 2.099 10 5 EEBERO Cc1cccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007420 468435537 /nfs/dbraw/zinc/43/55/37/468435537.db2.gz QDTZJFXGLCDZIV-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000360667471 465593752 /nfs/dbraw/zinc/59/37/52/465593752.db2.gz XPIAXHUTLWQKPK-UHFFFAOYSA-N 1 0 330.388 2.979 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371242305 465663868 /nfs/dbraw/zinc/66/38/68/465663868.db2.gz GBYMZPUYXZEBNM-ABAIWWIYSA-N 1 0 348.359 2.107 10 5 EEBERO Cn1ccnc1[C@H](NC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000353498953 465935161 /nfs/dbraw/zinc/93/51/61/465935161.db2.gz SFWXOHVHJUUGHX-JKSUJKDBSA-N 1 0 329.404 2.102 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301482035 465970017 /nfs/dbraw/zinc/97/00/17/465970017.db2.gz SSHXMSUWWORMRV-NSHDSACASA-N 1 0 331.376 2.164 10 5 EEBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000372268600 466260692 /nfs/dbraw/zinc/26/06/92/466260692.db2.gz ZVUBGOPQPXVQBS-GOEBONIOSA-N 1 0 326.356 2.165 10 5 EEBERO O=C(CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)Nc1ccc([N+](=O)[O-])cc1 ZINC000363176238 466263449 /nfs/dbraw/zinc/26/34/49/466263449.db2.gz GZKQMAFCCBACGH-MPYYAJLASA-N 1 0 333.388 2.016 10 5 EEBERO CCNc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347016725 466324350 /nfs/dbraw/zinc/32/43/50/466324350.db2.gz SXEUZYXBZJMPEQ-AWEZNQCLSA-N 1 0 332.404 2.335 10 5 EEBERO CCOc1cc(CN2CCSC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000492786595 467751034 /nfs/dbraw/zinc/75/10/34/467751034.db2.gz BAKGLLKTVMJVLO-CYBMUJFWSA-N 1 0 326.418 2.293 10 5 EEBERO C[NH+](C)[C@@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCSC1 ZINC000488118645 468072449 /nfs/dbraw/zinc/07/24/49/468072449.db2.gz BFQOUSHNRIRUET-MRXNPFEDSA-N 1 0 332.429 2.414 10 5 EEBERO CCC1(CO)CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589501878 468157759 /nfs/dbraw/zinc/15/77/59/468157759.db2.gz IRWRMGOFFRSWES-UHFFFAOYSA-N 1 0 336.388 2.366 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000590045958 468208116 /nfs/dbraw/zinc/20/81/16/468208116.db2.gz ZDCKLRSTMQPZBC-ZANVPECISA-N 1 0 343.305 2.390 10 5 EEBERO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600474110 468568248 /nfs/dbraw/zinc/56/82/48/468568248.db2.gz XGUQTEQVENUZGH-AWEZNQCLSA-N 1 0 333.388 2.350 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000600677870 468618314 /nfs/dbraw/zinc/61/83/14/468618314.db2.gz CCPOVHSKIBXZRY-WFASDCNBSA-N 1 0 332.404 2.186 10 5 EEBERO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000592154345 468641606 /nfs/dbraw/zinc/64/16/06/468641606.db2.gz QDCBOIHFJBZXRL-NUEKZKHPSA-N 1 0 336.436 2.300 10 5 EEBERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597696542 468642024 /nfs/dbraw/zinc/64/20/24/468642024.db2.gz CDMZVMOAZKMMTA-ONGXEEELSA-N 1 0 343.330 2.361 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)n1 ZINC000592166854 468644491 /nfs/dbraw/zinc/64/44/91/468644491.db2.gz JSPZQIPAXVOMQK-SJORKVTESA-N 1 0 344.415 2.249 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000600755332 468649870 /nfs/dbraw/zinc/64/98/70/468649870.db2.gz GQYHSWKNURSQCK-MRXNPFEDSA-N 1 0 337.395 2.324 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000601104530 468742967 /nfs/dbraw/zinc/74/29/67/468742967.db2.gz ABRKPBLEOLVUBF-BDAKNGLRSA-N 1 0 333.314 2.386 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601118302 468748668 /nfs/dbraw/zinc/74/86/68/468748668.db2.gz CFBQPQDGVCQWFL-KRWDZBQOSA-N 1 0 346.362 2.178 10 5 EEBERO CN(CC[NH+]1CCCCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601181941 468773248 /nfs/dbraw/zinc/77/32/48/468773248.db2.gz PIEFBEGNSRLXCE-UHFFFAOYSA-N 1 0 335.330 2.269 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335431 468830901 /nfs/dbraw/zinc/83/09/01/468830901.db2.gz UIKGCZKRSKOWBM-WMLDXEAASA-N 1 0 346.431 2.306 10 5 EEBERO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2(CCC2)CO1 ZINC000593091058 468866615 /nfs/dbraw/zinc/86/66/15/468866615.db2.gz DKVPXPUEMSKLJN-ZDUSSCGKSA-N 1 0 345.399 2.127 10 5 EEBERO Cc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601468148 468887960 /nfs/dbraw/zinc/88/79/60/468887960.db2.gz IXXWYSAZZVFAIC-NSHDSACASA-N 1 0 347.462 2.070 10 5 EEBERO C[C@]1(C2CC2)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595627451 468929756 /nfs/dbraw/zinc/92/97/56/468929756.db2.gz ZKLOHNWURNNUEH-QGZVFWFLSA-N 1 0 333.388 2.424 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595932872 469089014 /nfs/dbraw/zinc/08/90/14/469089014.db2.gz CZRHUUZVHBTTKO-ZDUSSCGKSA-N 1 0 349.435 2.122 10 5 EEBERO Nc1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)cc(CO)c1[N+](=O)[O-] ZINC000599126409 469128738 /nfs/dbraw/zinc/12/87/38/469128738.db2.gz GHCSJSYTYSRJNR-OAHLLOKOSA-N 1 0 334.420 2.488 10 5 EEBERO CC1(C)[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(F)F ZINC000596066983 469136865 /nfs/dbraw/zinc/13/68/65/469136865.db2.gz XDVOBLWEYOSFQR-GXFFZTMASA-N 1 0 330.331 2.215 10 5 EEBERO CCS(=O)(=O)C1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000596522146 469292080 /nfs/dbraw/zinc/29/20/80/469292080.db2.gz VGIQBHKEUHONHM-UHFFFAOYSA-N 1 0 349.412 2.253 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000596565333 469302582 /nfs/dbraw/zinc/30/25/82/469302582.db2.gz GAEBNAXWNUHZEN-ZDUSSCGKSA-N 1 0 333.392 2.018 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CCO1 ZINC000596566450 469302703 /nfs/dbraw/zinc/30/27/03/469302703.db2.gz LRIIMFTVWPPIJE-LLVKDONJSA-N 1 0 328.800 2.190 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599604842 469306721 /nfs/dbraw/zinc/30/67/21/469306721.db2.gz SRWMZCABOMQNAA-CQSZACIVSA-N 1 0 334.376 2.400 10 5 EEBERO CN(CCOCC[NH3+])C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000599605209 469306832 /nfs/dbraw/zinc/30/68/32/469306832.db2.gz VLEONQVXWCQNOE-UHFFFAOYSA-N 1 0 338.408 2.331 10 5 EEBERO C[C@@H](O)C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C)C1 ZINC000618344292 469968935 /nfs/dbraw/zinc/96/89/35/469968935.db2.gz GPIRCYSGKBFTCV-CHWSQXEVSA-N 1 0 330.388 2.034 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000534634672 485549182 /nfs/dbraw/zinc/54/91/82/485549182.db2.gz ULXRCIRRTDTHTH-HNNXBMFYSA-N 1 0 336.436 2.408 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000131410955 527981203 /nfs/dbraw/zinc/98/12/03/527981203.db2.gz OGLVYKBOUUEZDK-GFCCVEGCSA-N 1 0 345.403 2.364 10 5 EEBERO CC[NH2+]CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415667685 528325673 /nfs/dbraw/zinc/32/56/73/528325673.db2.gz YLRVWZUVTWBVGF-UHFFFAOYSA-N 1 0 345.197 2.397 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928437161 683136805 /nfs/dbraw/zinc/13/68/05/683136805.db2.gz HAAYUPPVTTYTEM-LDYMZIIASA-N 1 0 331.294 2.436 10 5 EEBERO COC(=O)[C@H]1[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1(F)F ZINC000894850721 683192723 /nfs/dbraw/zinc/19/27/23/683192723.db2.gz NGHJWTGGGMMLEN-ZYHUDNBSSA-N 1 0 328.315 2.474 10 5 EEBERO COc1cccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898832288 693481017 /nfs/dbraw/zinc/48/10/17/693481017.db2.gz LQWASAPKJPWPCC-KBPBESRZSA-N 1 0 333.388 2.206 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCn1cccc1 ZINC001266910962 1177783133 /nfs/dbraw/zinc/78/31/33/1177783133.db2.gz CTLSHQUDNAZNQC-UHFFFAOYSA-N 1 0 336.417 2.096 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001268504954 1183082110 /nfs/dbraw/zinc/08/21/10/1183082110.db2.gz GZSPUWYFFXOPTM-OWOJBTEDSA-N 1 0 326.356 2.066 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccns1 ZINC001482926395 1187846608 /nfs/dbraw/zinc/84/66/08/1187846608.db2.gz NEYXJFVBZUHNJC-UHFFFAOYSA-N 1 0 340.430 2.365 10 5 EEBERO Cn1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001482997156 1187976680 /nfs/dbraw/zinc/97/66/80/1187976680.db2.gz LEZLLUYQOKWSIX-NSCUHMNNSA-N 1 0 328.372 2.009 10 5 EEBERO CCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCN(C(=O)COC)CC1 ZINC001484804480 1191530117 /nfs/dbraw/zinc/53/01/17/1191530117.db2.gz LEVASEUPGRRALL-UHFFFAOYSA-N 1 0 341.433 2.164 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865924646 1198425683 /nfs/dbraw/zinc/42/56/83/1198425683.db2.gz UHBDIRPLRAQZAY-HNNXBMFYSA-N 1 0 329.347 2.425 10 5 EEBERO CCC[N@H+](CC)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000811866660 1200365936 /nfs/dbraw/zinc/36/59/36/1200365936.db2.gz HNXTZPKRGIYLHZ-NSHDSACASA-N 1 0 336.392 2.458 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205563 1201464734 /nfs/dbraw/zinc/46/47/34/1201464734.db2.gz FSJMQQVMWDOMNY-CABCVRRESA-N 1 0 346.431 2.263 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000866359639 1201499986 /nfs/dbraw/zinc/49/99/86/1201499986.db2.gz UPWHRVAVPCKESN-QWRGUYRKSA-N 1 0 344.408 2.220 10 5 EEBERO Cc1nc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001276233585 1205845724 /nfs/dbraw/zinc/84/57/24/1205845724.db2.gz XYMWJQNSJPLUJT-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO Cc1cc(Cc2noc(COC3CC[NH+](C)CC3)n2)ccc1[N+](=O)[O-] ZINC000923946298 1205927957 /nfs/dbraw/zinc/92/79/57/1205927957.db2.gz NCCFOBAOWNELJL-UHFFFAOYSA-N 1 0 346.387 2.488 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927646793 1206285989 /nfs/dbraw/zinc/28/59/89/1206285989.db2.gz YKVOUNHWVGWZDB-HNNXBMFYSA-N 1 0 348.403 2.278 10 5 EEBERO O=[N+]([O-])c1cccnc1N1CCN(CCSc2ccncc2)CC1 ZINC000930680239 1206575360 /nfs/dbraw/zinc/57/53/60/1206575360.db2.gz CQINVXACCKANJE-UHFFFAOYSA-N 1 0 345.428 2.299 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000719385278 1213144925 /nfs/dbraw/zinc/14/49/25/1213144925.db2.gz NMDGFDYILCRFNZ-PSASIEDQSA-N 1 0 342.193 2.180 10 5 EEBERO O=C(CCN[C@H]1CC[NH2+]C12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000903486855 1240626492 /nfs/dbraw/zinc/62/64/92/1240626492.db2.gz YOUSVESNIJFVPP-HNNXBMFYSA-N 1 0 332.404 2.188 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000803854804 1242085804 /nfs/dbraw/zinc/08/58/04/1242085804.db2.gz APTLEGOCZPEOAG-CYBMUJFWSA-N 1 0 349.387 2.341 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974122 1242813129 /nfs/dbraw/zinc/81/31/29/1242813129.db2.gz MKWGZUHXESMLOW-OICCZTGUSA-N 1 0 331.416 2.356 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852351151 1292097420 /nfs/dbraw/zinc/09/74/20/1292097420.db2.gz JAELBCVJKNEPOG-KCPJHIHWSA-N 1 0 326.368 2.390 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000852760194 1292189869 /nfs/dbraw/zinc/18/98/69/1292189869.db2.gz BUZPLCRBRFVPFB-AWEZNQCLSA-N 1 0 325.384 2.277 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000859955514 1294724192 /nfs/dbraw/zinc/72/41/92/1294724192.db2.gz VAJLYLABEYUNRR-VQHPVUNQSA-N 1 0 348.399 2.292 10 5 EEBERO C[C@]12COC[C@H]1C[N@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C2 ZINC001118594296 1308894334 /nfs/dbraw/zinc/89/43/34/1308894334.db2.gz YAUFTVFSDFXCHX-WBVHZDCISA-N 1 0 328.372 2.384 10 5 EEBERO O=C(OC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001123347844 1310532159 /nfs/dbraw/zinc/53/21/59/1310532159.db2.gz WFJXRUGHZKXOTL-AWEZNQCLSA-N 1 0 338.335 2.144 10 5 EEBERO COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c([N+](=O)[O-])c1 ZINC001123425453 1310564251 /nfs/dbraw/zinc/56/42/51/1310564251.db2.gz KSEOFQGEDFMIGV-KGYLQXTDSA-N 1 0 334.376 2.065 10 5 EEBERO COCCN(CCNC(=O)C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001284669124 1326656010 /nfs/dbraw/zinc/65/60/10/1326656010.db2.gz UJFSEMSRVVZGPQ-UHFFFAOYSA-N 1 0 337.420 2.206 10 5 EEBERO CSc1cccc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001289377320 1328021803 /nfs/dbraw/zinc/02/18/03/1328021803.db2.gz QERQUCBYVIUHCB-BZNIZROVSA-N 1 0 335.429 2.340 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCc1ccoc1 ZINC001663878894 1355048178 /nfs/dbraw/zinc/04/81/78/1355048178.db2.gz UAXAVIJBNNLISH-UHFFFAOYSA-N 1 0 337.401 2.430 10 5 EEBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001558768606 1342488156 /nfs/dbraw/zinc/48/81/56/1342488156.db2.gz DNETWXHICZTBOL-GDBMZVCRSA-N 1 0 332.404 2.325 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC001626991420 1352479969 /nfs/dbraw/zinc/47/99/69/1352479969.db2.gz NUQLUTRNJIKTGE-ZDUSSCGKSA-N 1 0 335.404 2.455 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001640616113 1352712766 /nfs/dbraw/zinc/71/27/66/1352712766.db2.gz YLJFXOXNTOFPAI-AWEZNQCLSA-N 1 0 332.404 2.314 10 5 EEBERO Cc1n[nH]cc1C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC001644090969 1352757168 /nfs/dbraw/zinc/75/71/68/1352757168.db2.gz SWEHNWBNLLKPME-UHFFFAOYSA-N 1 0 345.359 2.056 10 5 EEBERO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCC[NH+]3CCCCC3)c2c1 ZINC001651373630 1354050676 /nfs/dbraw/zinc/05/06/76/1354050676.db2.gz JVKYCIVKCIRUSF-UHFFFAOYSA-N 1 0 345.359 2.371 10 5 EEBERO CCc1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC001656590864 1354250396 /nfs/dbraw/zinc/25/03/96/1354250396.db2.gz RBFHBFSBDJNOAI-UHFFFAOYSA-N 1 0 327.384 2.377 10 5 EEBERO CCOCC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001660761597 1354533667 /nfs/dbraw/zinc/53/36/67/1354533667.db2.gz WCBVYZCWSZTSFP-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO CC(C)OCC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001660765089 1354534375 /nfs/dbraw/zinc/53/43/75/1354534375.db2.gz MWCBJOXXSGRANW-UHFFFAOYSA-N 1 0 349.431 2.443 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001668673143 1355984237 /nfs/dbraw/zinc/98/42/37/1355984237.db2.gz SRGLDTVXVBRWPP-ARJAWSKDSA-N 1 0 326.356 2.066 10 5 EEBERO CCC(=O)N1CCC([N@H+](CCOC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001699689344 1405443197 /nfs/dbraw/zinc/44/31/97/1405443197.db2.gz PLCONAIXYVLSMK-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(S(C)(=O)=O)CC1 ZINC000809703880 783321054 /nfs/dbraw/zinc/32/10/54/783321054.db2.gz RHLXFQKCOLKXOW-SECBINFHSA-N 1 0 332.809 2.304 10 5 EEBERO O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817880307 785041359 /nfs/dbraw/zinc/04/13/59/785041359.db2.gz PLABPLWURLCEGZ-UHFFFAOYSA-N 1 0 338.795 2.015 10 5 EEBERO Cc1c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818591753 785315775 /nfs/dbraw/zinc/31/57/75/785315775.db2.gz KLFFBVDHTBNUCN-INIZCTEOSA-N 1 0 348.359 2.027 10 5 EEBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]C[C@H](O)C1CC1 ZINC000818941341 785333813 /nfs/dbraw/zinc/33/38/13/785333813.db2.gz SMWQMVYOXFGIAK-ZDUSSCGKSA-N 1 0 333.310 2.386 10 5 EEBERO Cn1c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000908499568 785458194 /nfs/dbraw/zinc/45/81/94/785458194.db2.gz MSXAARSKSJMHKE-UHFFFAOYSA-N 1 0 334.420 2.318 10 5 EEBERO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001136578986 787167766 /nfs/dbraw/zinc/16/77/66/787167766.db2.gz FAPZMQKBYHAQHT-SNVBAGLBSA-N 1 0 341.799 2.062 10 5 EEBERO C[N@H+](CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)CC(C)(C)C ZINC000911472104 787465989 /nfs/dbraw/zinc/46/59/89/787465989.db2.gz FALXCSODFIYDSV-UHFFFAOYSA-N 1 0 329.347 2.467 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913282365 788759907 /nfs/dbraw/zinc/75/99/07/788759907.db2.gz GGEHCCZUMZQUKT-HDICACEKSA-N 1 0 331.416 2.328 10 5 EEBERO [NH3+]CC12CC(C1)CN2Cc1cc([N+](=O)[O-])ccc1Br ZINC000923391588 789479347 /nfs/dbraw/zinc/47/93/47/789479347.db2.gz NIYUORRFRJCROJ-UHFFFAOYSA-N 1 0 326.194 2.280 10 5 EEBERO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001148547360 792522401 /nfs/dbraw/zinc/52/24/01/792522401.db2.gz KNYDDKOXFSARNO-ZYHUDNBSSA-N 1 0 325.796 2.390 10 5 EEBERO O=C(NC12CC[NH+](CC1)C2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000913626293 793998289 /nfs/dbraw/zinc/99/82/89/793998289.db2.gz LUBDTVBDNHWOQC-UHFFFAOYSA-N 1 0 344.415 2.163 10 5 EEBERO O=C(NC12CC[NH+](CC1)C2)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000913633844 794002836 /nfs/dbraw/zinc/00/28/36/794002836.db2.gz QYYKLEYRJRNIMR-UHFFFAOYSA-N 1 0 338.367 2.235 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@]4(C3)CCCOC4)n2)cc1 ZINC000789545008 808054637 /nfs/dbraw/zinc/05/46/37/808054637.db2.gz JQOBVIIELZNDEB-KRWDZBQOSA-N 1 0 343.387 2.313 10 5 EEBERO CCc1cc(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC001566509925 1125680534 /nfs/dbraw/zinc/68/05/34/1125680534.db2.gz HNKFPLACKWEIAD-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC001497558442 1102666574 /nfs/dbraw/zinc/66/65/74/1102666574.db2.gz LYRAYUGTZKDBTC-ARJAWSKDSA-N 1 0 339.342 2.402 10 5 EEBERO Cc1ccn(C)c1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497575200 1102687881 /nfs/dbraw/zinc/68/78/81/1102687881.db2.gz VUIDEPPIOLWZDD-WAYWQWQTSA-N 1 0 342.399 2.318 10 5 EEBERO Cc1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC001473339163 1110574274 /nfs/dbraw/zinc/57/42/74/1110574274.db2.gz VAHRXOBFWJHAFH-LBPRGKRZSA-N 1 0 349.412 2.401 10 5 EEBERO Cc1ccc(C[NH+]2CCC(C)(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001500424686 1112821173 /nfs/dbraw/zinc/82/11/73/1112821173.db2.gz NYMBIWUDPGQEAQ-IAGOWNOFSA-N 1 0 345.443 2.379 10 5 EEBERO C[C@H](C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC001538925506 1124039322 /nfs/dbraw/zinc/03/93/22/1124039322.db2.gz YEZHFNHEZPNKGJ-JKDFXYPNSA-N 1 0 335.379 2.248 10 5 EEBERO Cc1ccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000237738822 201151597 /nfs/dbraw/zinc/15/15/97/201151597.db2.gz SVIZDEHNENFUFU-UHFFFAOYSA-N 1 0 341.433 2.233 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186868266 201608796 /nfs/dbraw/zinc/60/87/96/201608796.db2.gz NSAYMYBMSKULIW-JQWIXIFHSA-N 1 0 341.795 2.131 10 5 EEBERO Cn1cnc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000459662816 245201834 /nfs/dbraw/zinc/20/18/34/245201834.db2.gz OGLOARLKYWPYTK-UHFFFAOYSA-N 1 0 326.303 2.262 10 5 EEBERO CC(C)[N@H+]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155716730 206030236 /nfs/dbraw/zinc/03/02/36/206030236.db2.gz RSPLKIGAJZJYTO-KBPBESRZSA-N 1 0 335.404 2.209 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160421771 206295855 /nfs/dbraw/zinc/29/58/55/206295855.db2.gz NSETWJDRBIRQSJ-CYBMUJFWSA-N 1 0 335.404 2.454 10 5 EEBERO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000160379682 206294925 /nfs/dbraw/zinc/29/49/25/206294925.db2.gz LZCHFQBFMCQRJY-CQSZACIVSA-N 1 0 335.404 2.454 10 5 EEBERO COc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000266160451 248139143 /nfs/dbraw/zinc/13/91/43/248139143.db2.gz WMJNPTQJKOBAFU-MRXNPFEDSA-N 1 0 348.447 2.210 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266222706 248184879 /nfs/dbraw/zinc/18/48/79/248184879.db2.gz IBIJZUFLAWIVQL-JSGCOSHPSA-N 1 0 334.420 2.121 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000175235300 207107630 /nfs/dbraw/zinc/10/76/30/207107630.db2.gz UXKUFYPOTVEJJX-AWEZNQCLSA-N 1 0 345.403 2.497 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177712153 207382238 /nfs/dbraw/zinc/38/22/38/207382238.db2.gz LYDGNGSOPZXRPA-OAHLLOKOSA-N 1 0 334.420 2.258 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000273004599 256255774 /nfs/dbraw/zinc/25/57/74/256255774.db2.gz AGGVFKVXFBKUHC-UONOGXRCSA-N 1 0 335.404 2.049 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCCO1 ZINC000076300039 159083392 /nfs/dbraw/zinc/08/33/92/159083392.db2.gz NXCFHIDVYUCMFF-CYBMUJFWSA-N 1 0 337.376 2.043 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246217697 160268037 /nfs/dbraw/zinc/26/80/37/160268037.db2.gz AXPIRIHPEOIGGI-HNNXBMFYSA-N 1 0 332.404 2.012 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246784138 160294409 /nfs/dbraw/zinc/29/44/09/160294409.db2.gz ZKNXSNUBVSHAOY-KGLIPLIRSA-N 1 0 332.404 2.010 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000247284730 160318568 /nfs/dbraw/zinc/31/85/68/160318568.db2.gz GBZWDMHODIRRQP-XJKSGUPXSA-N 1 0 335.404 2.162 10 5 EEBERO CCc1n[nH]c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000354917119 163014359 /nfs/dbraw/zinc/01/43/59/163014359.db2.gz TXLKZFKXDZSJLR-UHFFFAOYSA-N 1 0 349.435 2.288 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359035129 164042358 /nfs/dbraw/zinc/04/23/58/164042358.db2.gz AALWTEDDSNLRAE-NSHDSACASA-N 1 0 343.330 2.410 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccccn2)CC1 ZINC000360734540 164371442 /nfs/dbraw/zinc/37/14/42/164371442.db2.gz OTBZBIKLDGNWTR-UHFFFAOYSA-N 1 0 328.372 2.031 10 5 EEBERO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000277427371 269154528 /nfs/dbraw/zinc/15/45/28/269154528.db2.gz KKAUMAXZFJCYLV-ONGXEEELSA-N 1 0 327.768 2.201 10 5 EEBERO CC(C)c1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000189823148 278025364 /nfs/dbraw/zinc/02/53/64/278025364.db2.gz VQYUBSSYCOXCAG-AWEZNQCLSA-N 1 0 335.404 2.121 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135833423 279145030 /nfs/dbraw/zinc/14/50/30/279145030.db2.gz UHLLMUVQAUTFKP-ZDUSSCGKSA-N 1 0 345.403 2.241 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000539815666 318064039 /nfs/dbraw/zinc/06/40/39/318064039.db2.gz LXXXVBVMIUVDRE-UHFFFAOYSA-N 1 0 331.319 2.220 10 5 EEBERO C[NH+](C)Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000339284429 465187287 /nfs/dbraw/zinc/18/72/87/465187287.db2.gz ZRJMKOSRPLVJJD-UHFFFAOYSA-N 1 0 326.356 2.254 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000579025034 468299551 /nfs/dbraw/zinc/29/95/51/468299551.db2.gz VPEOFSDOZWAPSZ-AWEZNQCLSA-N 1 0 335.404 2.295 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268325 462583245 /nfs/dbraw/zinc/58/32/45/462583245.db2.gz YWLXWTAGVHUTMA-DZGCQCFKSA-N 1 0 332.404 2.010 10 5 EEBERO CC[N@@H+]1CC[C@H]2OCCN(C/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000552346658 468324921 /nfs/dbraw/zinc/32/49/21/468324921.db2.gz ZCBBFCNGJWCOIG-QGNVGDHZSA-N 1 0 331.416 2.403 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC[C@@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000170082911 463674826 /nfs/dbraw/zinc/67/48/26/463674826.db2.gz ZNLLLMPGMFIADS-CQSZACIVSA-N 1 0 338.839 2.118 10 5 EEBERO CC1(C)CN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000171766747 463923080 /nfs/dbraw/zinc/92/30/80/463923080.db2.gz JRPOMPVXFDCBHE-UHFFFAOYSA-N 1 0 327.812 2.449 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1 ZINC000590971144 468387749 /nfs/dbraw/zinc/38/77/49/468387749.db2.gz OXHONFXEMQQMJL-CABCVRRESA-N 1 0 334.372 2.429 10 5 EEBERO C[NH+](C)C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCO1 ZINC000172305088 464046494 /nfs/dbraw/zinc/04/64/94/464046494.db2.gz PWXRBMZYXSCEFG-ZDUSSCGKSA-N 1 0 349.412 2.212 10 5 EEBERO Cc1c(NC(=O)CCN2CC[N@@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000172804034 464146515 /nfs/dbraw/zinc/14/65/15/464146515.db2.gz OFWYSFUBGSJOBP-OAHLLOKOSA-N 1 0 346.431 2.402 10 5 EEBERO C[N@@H+]1CC[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1ccccc1 ZINC000225600100 464175156 /nfs/dbraw/zinc/17/51/56/464175156.db2.gz VQYMHDXOOQUUNH-DYVFJYSZSA-N 1 0 338.371 2.495 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000175007340 464478861 /nfs/dbraw/zinc/47/88/61/464478861.db2.gz RQXNUSHSVLUMER-TZMCWYRMSA-N 1 0 333.388 2.302 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183128325 464804263 /nfs/dbraw/zinc/80/42/63/464804263.db2.gz MUKUDRVKHFGYCY-XHDPSFHLSA-N 1 0 337.376 2.089 10 5 EEBERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593919263 468433424 /nfs/dbraw/zinc/43/34/24/468433424.db2.gz POCYBBHYZSTVGK-ZMSDIMECSA-N 1 0 347.415 2.404 10 5 EEBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000348528599 465657296 /nfs/dbraw/zinc/65/72/96/465657296.db2.gz BICATBRJSAYFQT-LXIYXOSZSA-N 1 0 343.383 2.299 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000302152422 466105338 /nfs/dbraw/zinc/10/53/38/466105338.db2.gz HYKVQBJVWYNIOY-CYBMUJFWSA-N 1 0 333.388 2.304 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600227450 468501059 /nfs/dbraw/zinc/50/10/59/468501059.db2.gz CLVNCFIFJITTTM-AWEZNQCLSA-N 1 0 332.404 2.435 10 5 EEBERO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000370193509 466793140 /nfs/dbraw/zinc/79/31/40/466793140.db2.gz KNPBIMHGVWRJEU-UHFFFAOYSA-N 1 0 333.388 2.107 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000417721584 466917306 /nfs/dbraw/zinc/91/73/06/466917306.db2.gz UBYFXDPPMUQCAY-UKRRQHHQSA-N 1 0 349.435 2.002 10 5 EEBERO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000370587120 466932185 /nfs/dbraw/zinc/93/21/85/466932185.db2.gz HCIAFJQOZYGYPE-MRXNPFEDSA-N 1 0 340.383 2.336 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423977378 466934895 /nfs/dbraw/zinc/93/48/95/466934895.db2.gz IQIBSKBBZLTRBU-UHFFFAOYSA-N 1 0 347.400 2.474 10 5 EEBERO C[C@H](O)[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000414598350 467421545 /nfs/dbraw/zinc/42/15/45/467421545.db2.gz XYUSFJVFISNVFJ-YVEFUNNKSA-N 1 0 332.356 2.436 10 5 EEBERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000408239474 467534112 /nfs/dbraw/zinc/53/41/12/467534112.db2.gz ZCZSRCOOBCRFRT-CHWSQXEVSA-N 1 0 341.433 2.006 10 5 EEBERO CCOc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458196592 467787291 /nfs/dbraw/zinc/78/72/91/467787291.db2.gz RPFSIMOQUGUDPT-ZDUSSCGKSA-N 1 0 335.404 2.455 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000450397925 467842923 /nfs/dbraw/zinc/84/29/23/467842923.db2.gz WQDLJPLIRQYHRG-DOTOQJQBSA-N 1 0 342.399 2.285 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597531232 468588703 /nfs/dbraw/zinc/58/87/03/468588703.db2.gz ALHSBSJWJZPKEB-ZIAGYGMSSA-N 1 0 327.331 2.014 10 5 EEBERO Cn1ccnc1[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594509321 468612592 /nfs/dbraw/zinc/61/25/92/468612592.db2.gz HMTGYGPINMXJMT-XKQJLSEDSA-N 1 0 343.431 2.348 10 5 EEBERO Cn1ccnc1[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709684 468627796 /nfs/dbraw/zinc/62/77/96/468627796.db2.gz PNKCMMGTRDSVOV-HZPDHXFCSA-N 1 0 341.415 2.292 10 5 EEBERO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592169891 468646020 /nfs/dbraw/zinc/64/60/20/468646020.db2.gz ZFFNDKPEFJLYBS-DFBGVHRSSA-N 1 0 326.418 2.472 10 5 EEBERO C[C@@]1(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594733283 468666746 /nfs/dbraw/zinc/66/67/46/468666746.db2.gz UERQCNUXQAOTLX-TZMCWYRMSA-N 1 0 330.331 2.360 10 5 EEBERO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000597878372 468701515 /nfs/dbraw/zinc/70/15/15/468701515.db2.gz PYUCOQHRBWECSN-UHFFFAOYSA-N 1 0 347.415 2.216 10 5 EEBERO CC[NH+]1CCC(N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601103594 468741719 /nfs/dbraw/zinc/74/17/19/468741719.db2.gz YXVLBTNRQWPCBN-UHFFFAOYSA-N 1 0 335.330 2.268 10 5 EEBERO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595060689 468751193 /nfs/dbraw/zinc/75/11/93/468751193.db2.gz OACUSZYODIABTI-GFCCVEGCSA-N 1 0 326.418 2.460 10 5 EEBERO CC[C@@H]1C[N@H+](CC)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601171217 468769952 /nfs/dbraw/zinc/76/99/52/468769952.db2.gz ILWBULGQGHJBQH-SECBINFHSA-N 1 0 335.330 2.268 10 5 EEBERO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601414758 468864562 /nfs/dbraw/zinc/86/45/62/468864562.db2.gz HFFIHYRUJNTSIN-NSHDSACASA-N 1 0 347.462 2.117 10 5 EEBERO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CC(C)(C)O ZINC000593477135 468997629 /nfs/dbraw/zinc/99/76/29/468997629.db2.gz WFMWWSHHIIKDTQ-CYBMUJFWSA-N 1 0 344.415 2.424 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000601776007 469018365 /nfs/dbraw/zinc/01/83/65/469018365.db2.gz OXILXXSGRRRQDD-UHFFFAOYSA-N 1 0 343.387 2.239 10 5 EEBERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593669809 469085796 /nfs/dbraw/zinc/08/57/96/469085796.db2.gz BHFWTDKTKMDHAH-QWHCGFSZSA-N 1 0 332.356 2.436 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@]3(O)CCOC3)o2)cc1 ZINC000593670559 469087625 /nfs/dbraw/zinc/08/76/25/469087625.db2.gz IBNUFCSVRFKCAJ-KRWDZBQOSA-N 1 0 332.356 2.486 10 5 EEBERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000599020793 469091199 /nfs/dbraw/zinc/09/11/99/469091199.db2.gz OMXHKUVOVCQDGV-MVOUDAGVSA-N 1 0 330.344 2.419 10 5 EEBERO CC1(C)C[NH2+]CC[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000601972858 469122097 /nfs/dbraw/zinc/12/20/97/469122097.db2.gz GZQPTRFGSBHCMI-ZDUSSCGKSA-N 1 0 334.420 2.291 10 5 EEBERO COC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599163567 469143959 /nfs/dbraw/zinc/14/39/59/469143959.db2.gz DOUXBPZUZCMHHU-LBPRGKRZSA-N 1 0 334.376 2.205 10 5 EEBERO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599543721 469287918 /nfs/dbraw/zinc/28/79/18/469287918.db2.gz WNGBFELOBHHXFN-CYBMUJFWSA-N 1 0 338.379 2.487 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCO1 ZINC000596567310 469302574 /nfs/dbraw/zinc/30/25/74/469302574.db2.gz RSAKBHAFLJMMDM-CYBMUJFWSA-N 1 0 334.420 2.110 10 5 EEBERO Cc1cccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)c1 ZINC000599627327 469315740 /nfs/dbraw/zinc/31/57/40/469315740.db2.gz KKHISESDKDMFNH-DLBZAZTESA-N 1 0 332.404 2.448 10 5 EEBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604445995 469480001 /nfs/dbraw/zinc/48/00/01/469480001.db2.gz YIWLADLCHXHDBZ-PWSUYJOCSA-N 1 0 341.795 2.226 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000618196232 469919724 /nfs/dbraw/zinc/91/97/24/469919724.db2.gz OJPIBQMDKBLHQH-UHFFFAOYSA-N 1 0 349.434 2.175 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)o2)cc1 ZINC000595829858 485609629 /nfs/dbraw/zinc/60/96/29/485609629.db2.gz IWKDBHDWVVBUMK-OLZOCXBDSA-N 1 0 330.344 2.113 10 5 EEBERO CC[NH+]1CCC(CCNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000189324629 528970227 /nfs/dbraw/zinc/97/02/27/528970227.db2.gz PHDJJUKPQFETNZ-UHFFFAOYSA-N 1 0 336.392 2.310 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000776272764 577456156 /nfs/dbraw/zinc/45/61/56/577456156.db2.gz VZPAVDCGLYLXKD-CABCVRRESA-N 1 0 330.340 2.058 10 5 EEBERO COCC[N@@H+]1CCC[C@@H](NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752059420 577765423 /nfs/dbraw/zinc/76/54/23/577765423.db2.gz ZBJOJBJNCQSGQZ-WCRPCQDQSA-N 1 0 347.415 2.225 10 5 EEBERO CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752528747 577772197 /nfs/dbraw/zinc/77/21/97/577772197.db2.gz XATHCZCQLCFINZ-BHEFUSTPSA-N 1 0 349.431 2.471 10 5 EEBERO COC(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234534687 677725823 /nfs/dbraw/zinc/72/58/23/677725823.db2.gz HSYFMNLAFZNSPG-SNVBAGLBSA-N 1 0 343.177 2.352 10 5 EEBERO CC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC ZINC000895126995 684015504 /nfs/dbraw/zinc/01/55/04/684015504.db2.gz CVSKDYMWZDLUFH-CYBMUJFWSA-N 1 0 335.404 2.352 10 5 EEBERO O=C1C[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCCN1 ZINC000895611487 684662789 /nfs/dbraw/zinc/66/27/89/684662789.db2.gz WMZUBHRRZMLOFB-NSHDSACASA-N 1 0 342.193 2.116 10 5 EEBERO C[NH+](C)C1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC000895698346 684692928 /nfs/dbraw/zinc/69/29/28/684692928.db2.gz YCZSIWIGZILPQU-UHFFFAOYSA-N 1 0 342.399 2.496 10 5 EEBERO COc1cccc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC000898832293 693480836 /nfs/dbraw/zinc/48/08/36/693480836.db2.gz LQWASAPKJPWPCC-UONOGXRCSA-N 1 0 333.388 2.206 10 5 EEBERO CCCc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001267411761 1178974459 /nfs/dbraw/zinc/97/44/59/1178974459.db2.gz JWCZDSKFYOZGTL-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001267973420 1180892333 /nfs/dbraw/zinc/89/23/33/1180892333.db2.gz PGHGUGJWLLVQAZ-JGPFYOFESA-N 1 0 335.448 2.322 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccco1 ZINC001268889483 1183793714 /nfs/dbraw/zinc/79/37/14/1183793714.db2.gz PBIVPRAPIZDFPO-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO COCCC(=O)NCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001270088758 1184838476 /nfs/dbraw/zinc/83/84/76/1184838476.db2.gz QPIONZUBUXMTKP-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO COCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001691512174 1185570022 /nfs/dbraw/zinc/57/00/22/1185570022.db2.gz UHSLXARDVYFMRV-CTYIDZIISA-N 1 0 347.415 2.006 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000865999768 1198450160 /nfs/dbraw/zinc/45/01/60/1198450160.db2.gz XJQAZQJEZGIBKC-JTQLQIEISA-N 1 0 336.417 2.462 10 5 EEBERO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000866054074 1201415931 /nfs/dbraw/zinc/41/59/31/1201415931.db2.gz WSAHDJBPJSYPRN-UHFFFAOYSA-N 1 0 331.376 2.443 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000866207890 1201465420 /nfs/dbraw/zinc/46/54/20/1201465420.db2.gz YKLPCBFQUMGLPU-SKDRFNHKSA-N 1 0 341.209 2.283 10 5 EEBERO COc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000866255722 1201476876 /nfs/dbraw/zinc/47/68/76/1201476876.db2.gz CYOXIVRVAYKHQP-UHFFFAOYSA-N 1 0 335.404 2.152 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866413055 1201511237 /nfs/dbraw/zinc/51/12/37/1201511237.db2.gz FLWJHTQPOIBRMD-ZBFHGGJFSA-N 1 0 335.448 2.351 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000794951711 1201598507 /nfs/dbraw/zinc/59/85/07/1201598507.db2.gz CUXZILNEQQTJRK-BXUZGUMPSA-N 1 0 340.221 2.493 10 5 EEBERO C[C@@]([NH3+])(C(=O)NC[C@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000867979796 1201719264 /nfs/dbraw/zinc/71/92/64/1201719264.db2.gz KNCNCLCGCVRHBX-CJNGLKHVSA-N 1 0 349.456 2.418 10 5 EEBERO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000926075556 1206188573 /nfs/dbraw/zinc/18/85/73/1206188573.db2.gz DGYCMPAHRZFBBF-GMSGAONNSA-N 1 0 343.181 2.087 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCCCN1CC[NH2+]CC1 ZINC000926093085 1206190635 /nfs/dbraw/zinc/19/06/35/1206190635.db2.gz KPBZZOHFHPDTHE-UHFFFAOYSA-N 1 0 349.435 2.100 10 5 EEBERO O=[N+]([O-])c1ccc(OCCN2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931290132 1206622332 /nfs/dbraw/zinc/62/23/32/1206622332.db2.gz IOGZSROMHKJQQQ-UHFFFAOYSA-N 1 0 349.431 2.160 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850503269 1277250196 /nfs/dbraw/zinc/25/01/96/1277250196.db2.gz VSLOPOWCUMLTRZ-UZMCECQYSA-N 1 0 337.420 2.394 10 5 EEBERO Cc1n[nH]cc1C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001273541242 1279567151 /nfs/dbraw/zinc/56/71/51/1279567151.db2.gz UIJIAEJOVDASHM-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC001273948748 1289984951 /nfs/dbraw/zinc/98/49/51/1289984951.db2.gz VENHGTIVFRIFKA-OWOJBTEDSA-N 1 0 339.342 2.402 10 5 EEBERO Nc1ccc(NCC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000853756336 1292446077 /nfs/dbraw/zinc/44/60/77/1292446077.db2.gz OHLRNUZGQHRKLG-UHFFFAOYSA-N 1 0 334.420 2.480 10 5 EEBERO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000931334417 1297142742 /nfs/dbraw/zinc/14/27/42/1297142742.db2.gz OZSQNGPVHLFYNY-SNVBAGLBSA-N 1 0 343.181 2.183 10 5 EEBERO Cc1cc(OCC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001149204131 1315930830 /nfs/dbraw/zinc/93/08/30/1315930830.db2.gz FZBMGOTWKRWTNL-HZPDHXFCSA-N 1 0 347.415 2.271 10 5 EEBERO CCCC[N@H+](C)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001293211623 1328635206 /nfs/dbraw/zinc/63/52/06/1328635206.db2.gz UKCMETKCRYEJFA-UHFFFAOYSA-N 1 0 328.800 2.292 10 5 EEBERO C[NH+](C)Cc1cccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001290472900 1328206871 /nfs/dbraw/zinc/20/68/71/1328206871.db2.gz IGDQPFWRAITIKD-MRXNPFEDSA-N 1 0 329.356 2.329 10 5 EEBERO CCc1nc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001317579218 1332306872 /nfs/dbraw/zinc/30/68/72/1332306872.db2.gz JRAOSTSEPBXCQH-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1C ZINC001317610492 1332325613 /nfs/dbraw/zinc/32/56/13/1332325613.db2.gz LVPBZVBTGSSYLJ-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)nc1 ZINC001320996100 1332993429 /nfs/dbraw/zinc/99/34/29/1332993429.db2.gz BRFTYZDCECVMJI-UPHRSURJSA-N 1 0 344.346 2.205 10 5 EEBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2=CCCCC2)CC1 ZINC001324864724 1333776551 /nfs/dbraw/zinc/77/65/51/1333776551.db2.gz SCHPFXZPRBHWHN-HZPDHXFCSA-N 1 0 335.448 2.370 10 5 EEBERO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001330699076 1334888575 /nfs/dbraw/zinc/88/85/75/1334888575.db2.gz YZLKVHJRIHOSDQ-NEPJUHHUSA-N 1 0 333.367 2.397 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC001334249588 1336228018 /nfs/dbraw/zinc/22/80/18/1336228018.db2.gz BJTSDHNQJYYIMD-CALCHBBNSA-N 1 0 332.404 2.050 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC001349693711 1337639682 /nfs/dbraw/zinc/63/96/82/1337639682.db2.gz LWKXFYPRZYHGAV-UXEPBGEESA-N 1 0 342.399 2.075 10 5 EEBERO C[C@@H]1CCC[N@@H+]1CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001612054969 1352305369 /nfs/dbraw/zinc/30/53/69/1352305369.db2.gz MJXQZPLQQGEOHV-LLVKDONJSA-N 1 0 345.359 2.369 10 5 EEBERO C[C@@]1(O)CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001617686568 1352343837 /nfs/dbraw/zinc/34/38/37/1352343837.db2.gz FFYIFELIXCOOPZ-MRXNPFEDSA-N 1 0 332.360 2.382 10 5 EEBERO COc1ccc(OCC[NH+]2CCC(O)(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001620668337 1352361645 /nfs/dbraw/zinc/36/16/45/1352361645.db2.gz UQCGFCSAWWIFNF-UHFFFAOYSA-N 1 0 338.404 2.465 10 5 EEBERO CC[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC001598097876 1349935561 /nfs/dbraw/zinc/93/55/61/1349935561.db2.gz KZIIIVIEHNEADP-ARFHVFGLSA-N 1 0 335.404 2.007 10 5 EEBERO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001622828134 1352389515 /nfs/dbraw/zinc/38/95/15/1352389515.db2.gz ZFMQXUIVROULOL-SCZZXKLOSA-N 1 0 338.795 2.185 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)c(F)c1 ZINC001626399607 1352461911 /nfs/dbraw/zinc/46/19/11/1352461911.db2.gz NISYQXWJZCXCOJ-UHFFFAOYSA-N 1 0 341.730 2.424 10 5 EEBERO CC[N@H+](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C(C)C ZINC001627170032 1352485539 /nfs/dbraw/zinc/48/55/39/1352485539.db2.gz ZWMAXXSAOFNNLE-UHFFFAOYSA-N 1 0 346.790 2.430 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001647749192 1353400633 /nfs/dbraw/zinc/40/06/33/1353400633.db2.gz SSCHSQCFDHJVKX-IJEWVQPXSA-N 1 0 347.415 2.325 10 5 EEBERO COC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001648087361 1353415976 /nfs/dbraw/zinc/41/59/76/1353415976.db2.gz NHXJLLQJYINKHM-OAHLLOKOSA-N 1 0 337.332 2.324 10 5 EEBERO CCc1n[nH]c(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC001652099276 1354077531 /nfs/dbraw/zinc/07/75/31/1354077531.db2.gz JRWBYMYMMBTULX-UHFFFAOYSA-N 1 0 349.435 2.407 10 5 EEBERO CCn1nccc1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001660113224 1354399150 /nfs/dbraw/zinc/39/91/50/1354399150.db2.gz PBOHEXWBUXPOMV-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CN(C(=O)C[NH2+]C1([C@H]2CCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC001660642900 1354508140 /nfs/dbraw/zinc/50/81/40/1354508140.db2.gz ZTXUCOSMTOQZMN-OAHLLOKOSA-N 1 0 333.388 2.249 10 5 EEBERO CN(C(=O)CC(C)(C)O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001660772331 1354535877 /nfs/dbraw/zinc/53/58/77/1354535877.db2.gz NWXLYWPKANXBNT-UHFFFAOYSA-N 1 0 349.431 2.179 10 5 EEBERO COCCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001666734171 1355580849 /nfs/dbraw/zinc/58/08/49/1355580849.db2.gz CNUDWYHDSSKMAL-UHFFFAOYSA-N 1 0 341.433 2.211 10 5 EEBERO C[N@@H+](C/C=C\c1ccc(Cl)cc1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690940439 1404944014 /nfs/dbraw/zinc/94/40/14/1404944014.db2.gz XRXYZGRIFLJZLL-OKYAQOQYSA-N 1 0 337.807 2.066 10 5 EEBERO O=C(C[NH+]1CCCC1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000919126907 769625873 /nfs/dbraw/zinc/62/58/73/769625873.db2.gz NNFYJFPKDIHXFA-UHFFFAOYSA-N 1 0 342.193 2.069 10 5 EEBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819105903 785405324 /nfs/dbraw/zinc/40/53/24/785405324.db2.gz JUQLJGLNGIIWJB-DIFFPNOSSA-N 1 0 332.404 2.199 10 5 EEBERO COCC(C)(C)[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000823461088 787760609 /nfs/dbraw/zinc/76/06/09/787760609.db2.gz CNUGRGVLOJBHNP-UHFFFAOYSA-N 1 0 325.384 2.277 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000912815590 788391955 /nfs/dbraw/zinc/39/19/55/788391955.db2.gz NYLHQAQZSJMEOV-LRDDRELGSA-N 1 0 334.420 2.491 10 5 EEBERO CCC[C@@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844376076 789072946 /nfs/dbraw/zinc/07/29/46/789072946.db2.gz WOZLEKFDSRFTEN-IAQYHMDHSA-N 1 0 341.383 2.449 10 5 EEBERO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000913659260 794039347 /nfs/dbraw/zinc/03/93/47/794039347.db2.gz GPSJNHSXLIWXEO-RDTXWAMCSA-N 1 0 349.431 2.041 10 5 EEBERO Nc1nnc([C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001174965851 797951217 /nfs/dbraw/zinc/95/12/17/797951217.db2.gz UVHZSVNREUBECL-LBPRGKRZSA-N 1 0 347.375 2.209 10 5 EEBERO CN(CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(Cl)ccc1F ZINC001496701827 1101299055 /nfs/dbraw/zinc/29/90/55/1101299055.db2.gz IELYGRUHSGPDKP-TZMCWYRMSA-N 1 0 343.786 2.035 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])c1 ZINC001460927662 1110328313 /nfs/dbraw/zinc/32/83/13/1110328313.db2.gz CRUACMCERLTPDH-LLVKDONJSA-N 1 0 346.412 2.215 10 5 EEBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C12CCC2 ZINC001470564667 1110508009 /nfs/dbraw/zinc/50/80/09/1110508009.db2.gz GPJKSKVGXMVXNJ-HOTGVXAUSA-N 1 0 346.431 2.386 10 5 EEBERO COCC[N@H+](C)CCNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001472683835 1110562033 /nfs/dbraw/zinc/56/20/33/1110562033.db2.gz AWUBTBHVWWBNIM-UHFFFAOYSA-N 1 0 338.795 2.208 10 5 EEBERO CN1CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000424304865 240897601 /nfs/dbraw/zinc/89/76/01/240897601.db2.gz APXYGKXZPWOGTL-XJKSGUPXSA-N 1 0 331.416 2.374 10 5 EEBERO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cnc1C)CCC(F)(F)F ZINC000427202912 241394337 /nfs/dbraw/zinc/39/43/37/241394337.db2.gz DMTWCAWXCIYHCU-UHFFFAOYSA-N 1 0 348.325 2.302 10 5 EEBERO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000045625365 204328193 /nfs/dbraw/zinc/32/81/93/204328193.db2.gz FGSWBPTWCVNXEA-UHFFFAOYSA-N 1 0 342.193 2.135 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265025438 247143965 /nfs/dbraw/zinc/14/39/65/247143965.db2.gz YZOMCVMPVCDLEZ-BBRMVZONSA-N 1 0 342.399 2.245 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000175013825 207083767 /nfs/dbraw/zinc/08/37/67/207083767.db2.gz BLYMHMIAQBXGSS-HUUCEWRRSA-N 1 0 347.415 2.449 10 5 EEBERO CCCc1n[nH]c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000119874821 292248916 /nfs/dbraw/zinc/24/89/16/292248916.db2.gz NSCQVPPOCSBZQJ-UHFFFAOYSA-N 1 0 337.424 2.121 10 5 EEBERO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374322399 154050203 /nfs/dbraw/zinc/05/02/03/154050203.db2.gz CPXWCJAMNNMYGE-UKRRQHHQSA-N 1 0 338.477 2.114 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076482831 159086307 /nfs/dbraw/zinc/08/63/07/159086307.db2.gz JUESKHAKIZVPQK-CJNGLKHVSA-N 1 0 335.404 2.162 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000342284424 161053669 /nfs/dbraw/zinc/05/36/69/161053669.db2.gz QXONUEHWGLNRTG-OAHLLOKOSA-N 1 0 331.372 2.254 10 5 EEBERO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352559590 162187710 /nfs/dbraw/zinc/18/77/10/162187710.db2.gz JRFSPWKFOQRRCA-JTQLQIEISA-N 1 0 335.451 2.055 10 5 EEBERO CCOc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000367994958 166032781 /nfs/dbraw/zinc/03/27/81/166032781.db2.gz WUUKYRJWDKKIBC-KRWDZBQOSA-N 1 0 333.388 2.209 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)cc1C(F)(F)F ZINC000270209047 268804400 /nfs/dbraw/zinc/80/44/00/268804400.db2.gz LFBOCYWKCHWICC-UHFFFAOYSA-N 1 0 333.310 2.118 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272518159 268986201 /nfs/dbraw/zinc/98/62/01/268986201.db2.gz LARQHEKAMZZRNP-CYBMUJFWSA-N 1 0 327.331 2.239 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000191787776 274052285 /nfs/dbraw/zinc/05/22/85/274052285.db2.gz HYWXSTSTUQSGRK-CQSZACIVSA-N 1 0 345.403 2.152 10 5 EEBERO C[N@H+](CCCO)C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291815537 275342974 /nfs/dbraw/zinc/34/29/74/275342974.db2.gz FNKIOAXMQIIHTL-UHFFFAOYSA-N 1 0 344.415 2.426 10 5 EEBERO CCn1c(CC[NH3+])nnc1Sc1c2ccccc2ncc1[N+](=O)[O-] ZINC000291918017 275353417 /nfs/dbraw/zinc/35/34/17/275353417.db2.gz LKCMWJXOVBIJAX-UHFFFAOYSA-N 1 0 344.400 2.407 10 5 EEBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160141456 280187507 /nfs/dbraw/zinc/18/75/07/280187507.db2.gz HNABLUWZZPCAFY-GASCZTMLSA-N 1 0 344.415 2.162 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000160393624 311353988 /nfs/dbraw/zinc/35/39/88/311353988.db2.gz POYUWSFZNAJCOY-OAHLLOKOSA-N 1 0 335.404 2.210 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421762954 314158058 /nfs/dbraw/zinc/15/80/58/314158058.db2.gz OXHJVVDPEOCJQW-AWEZNQCLSA-N 1 0 335.404 2.052 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543689522 318165977 /nfs/dbraw/zinc/16/59/77/318165977.db2.gz TWLGPAGXPNNSIM-UHFFFAOYSA-N 1 0 342.827 2.384 10 5 EEBERO COc1cc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000576237926 320154083 /nfs/dbraw/zinc/15/40/83/320154083.db2.gz NVGTVBYGECKMKV-INIZCTEOSA-N 1 0 347.415 2.340 10 5 EEBERO O=[N+]([O-])c1cnc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000381181082 323523313 /nfs/dbraw/zinc/52/33/13/323523313.db2.gz QBNSNPHWASQRMF-AOOOYVTPSA-N 1 0 341.209 2.188 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000296028142 465056675 /nfs/dbraw/zinc/05/66/75/465056675.db2.gz ZNZRUGNRWBYLJY-HIFRSBDPSA-N 1 0 347.415 2.499 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337248571 465266360 /nfs/dbraw/zinc/26/63/60/465266360.db2.gz KYRILDNOFLIUFG-ZFWWWQNUSA-N 1 0 333.388 2.424 10 5 EEBERO O=[N+]([O-])c1cnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(F)c1 ZINC000520994325 468282827 /nfs/dbraw/zinc/28/28/27/468282827.db2.gz PLGFHRAUOKLHJI-CQSZACIVSA-N 1 0 338.383 2.210 10 5 EEBERO CC[N+](CC)(CCCn1c(C)cc(=O)n(C)c1=O)Cc1ccccc1 ZINC000005719188 462667036 /nfs/dbraw/zinc/66/70/36/462667036.db2.gz JOLNPWXWKNZWBZ-UHFFFAOYSA-N 1 0 344.479 2.302 10 5 EEBERO C[C@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000076023465 462788321 /nfs/dbraw/zinc/78/83/21/462788321.db2.gz OTIJMGMWSCLLKM-NSHDSACASA-N 1 0 343.449 2.387 10 5 EEBERO COC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000066835982 462935478 /nfs/dbraw/zinc/93/54/78/462935478.db2.gz KYHBGUWYRUBMRV-ZDUSSCGKSA-N 1 0 349.387 2.117 10 5 EEBERO Cc1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000026585460 463167981 /nfs/dbraw/zinc/16/79/81/463167981.db2.gz IBYRDHQWWHGTDH-UHFFFAOYSA-N 1 0 333.388 2.025 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136934734 463266082 /nfs/dbraw/zinc/26/60/82/463266082.db2.gz DRPSBXYFQGUJAI-LLVKDONJSA-N 1 0 341.795 2.089 10 5 EEBERO Cn1nccc1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137020183 463272502 /nfs/dbraw/zinc/27/25/02/463272502.db2.gz IUEKSMKPTUWMRA-QGZVFWFLSA-N 1 0 330.388 2.241 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150842782 463437738 /nfs/dbraw/zinc/43/77/38/463437738.db2.gz JZLZYMZMDVEEEY-CQSZACIVSA-N 1 0 332.404 2.389 10 5 EEBERO Cc1ccc([C@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000164899947 463635939 /nfs/dbraw/zinc/63/59/39/463635939.db2.gz ZJGGUFKXEHBPHG-WMLDXEAASA-N 1 0 349.431 2.437 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000170082909 463675464 /nfs/dbraw/zinc/67/54/64/463675464.db2.gz ZNLLLMPGMFIADS-AWEZNQCLSA-N 1 0 338.839 2.118 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000194450602 463865579 /nfs/dbraw/zinc/86/55/79/463865579.db2.gz XDLMZROEAQHNOQ-OCCSQVGLSA-N 1 0 335.404 2.406 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187899684 464173348 /nfs/dbraw/zinc/17/33/48/464173348.db2.gz PPEOVSUYOSXJHE-GUYCJALGSA-N 1 0 338.404 2.465 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@@H]21 ZINC000285079481 464447773 /nfs/dbraw/zinc/44/77/73/464447773.db2.gz PPTBQBZBLZVTOM-QWHCGFSZSA-N 1 0 343.330 2.106 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000245856443 464519442 /nfs/dbraw/zinc/51/94/42/464519442.db2.gz HMGZPLJAOCNNBV-NUEKZKHPSA-N 1 0 338.404 2.110 10 5 EEBERO CC(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000190208540 464608113 /nfs/dbraw/zinc/60/81/13/464608113.db2.gz QJVYWXCSDXDOIY-HNNXBMFYSA-N 1 0 349.431 2.295 10 5 EEBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599939636 468418305 /nfs/dbraw/zinc/41/83/05/468418305.db2.gz BAKUNJUJTICTFK-DUVNUKRYSA-N 1 0 332.404 2.234 10 5 EEBERO CCOc1cccc(N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000248492526 464758507 /nfs/dbraw/zinc/75/85/07/464758507.db2.gz OPPCIRCUZOIZRD-KBPBESRZSA-N 1 0 337.420 2.275 10 5 EEBERO O=C(CC[NH2+][C@@H](CO)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000182932146 464761140 /nfs/dbraw/zinc/76/11/40/464761140.db2.gz WXIUHTPHNNIJFW-HNNXBMFYSA-N 1 0 329.356 2.247 10 5 EEBERO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000191207064 464798074 /nfs/dbraw/zinc/79/80/74/464798074.db2.gz XUJMTCVATXJTDC-KCXAZCMYSA-N 1 0 334.372 2.247 10 5 EEBERO COc1cc(OC)cc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000177409519 465007516 /nfs/dbraw/zinc/00/75/16/465007516.db2.gz MMHPDVYOESPVIS-ZDUSSCGKSA-N 1 0 346.387 2.298 10 5 EEBERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000177409498 465007943 /nfs/dbraw/zinc/00/79/43/465007943.db2.gz MMHPDVYOESPVIS-CYBMUJFWSA-N 1 0 346.387 2.298 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000593918789 468433428 /nfs/dbraw/zinc/43/34/28/468433428.db2.gz JFZZHFFGQKAJTF-IJLUTSLNSA-N 1 0 339.417 2.157 10 5 EEBERO Cc1c(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359540329 465443205 /nfs/dbraw/zinc/44/32/05/465443205.db2.gz HMCAESZWDZJZFN-HNNXBMFYSA-N 1 0 332.404 2.281 10 5 EEBERO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1[N+](=O)[O-] ZINC000361011778 465702017 /nfs/dbraw/zinc/70/20/17/465702017.db2.gz DBGXLCRZBOBGQI-GOSISDBHSA-N 1 0 342.399 2.063 10 5 EEBERO Cn1ncc(C(F)(F)F)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000597126681 468451503 /nfs/dbraw/zinc/45/15/03/468451503.db2.gz GXEUXRKTHRIJHM-UHFFFAOYSA-N 1 0 343.309 2.312 10 5 EEBERO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000330777979 465800462 /nfs/dbraw/zinc/80/04/62/465800462.db2.gz BAACTKKUSCEVHA-UHFFFAOYSA-N 1 0 343.330 2.362 10 5 EEBERO Nc1nccc([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000366890875 465997740 /nfs/dbraw/zinc/99/77/40/465997740.db2.gz REXSZNIAOYTIHH-CYBMUJFWSA-N 1 0 343.387 2.225 10 5 EEBERO COc1c[nH+]ccc1N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361519235 466067436 /nfs/dbraw/zinc/06/74/36/466067436.db2.gz NDHMTUFIECKCFH-UHFFFAOYSA-N 1 0 342.399 2.363 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594103106 468485141 /nfs/dbraw/zinc/48/51/41/468485141.db2.gz VVMWMHWLJOTDPT-GSJFWJNXSA-N 1 0 325.796 2.247 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423408759 466741942 /nfs/dbraw/zinc/74/19/42/466741942.db2.gz XXLNHONINMFHIE-DAXOMENPSA-N 1 0 329.404 2.005 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000418117909 467050295 /nfs/dbraw/zinc/05/02/95/467050295.db2.gz SECKYRMOPKJHBE-NWDGAFQWSA-N 1 0 327.812 2.135 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000427525692 467162844 /nfs/dbraw/zinc/16/28/44/467162844.db2.gz TZTOZYQQQNUDLI-ZDUSSCGKSA-N 1 0 337.424 2.196 10 5 EEBERO CC(C)N(CC[NH+]1CCCCCC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000450536821 467866037 /nfs/dbraw/zinc/86/60/37/467866037.db2.gz BWMMWVIKIKKIMM-UHFFFAOYSA-N 1 0 349.435 2.180 10 5 EEBERO CC[NH+]1CCC(N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589494093 468156690 /nfs/dbraw/zinc/15/66/90/468156690.db2.gz CBAOFTWFLSBQCV-UHFFFAOYSA-N 1 0 335.404 2.298 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590444369 468258238 /nfs/dbraw/zinc/25/82/38/468258238.db2.gz LBZZUUIRFMQIAJ-IAQYHMDHSA-N 1 0 335.379 2.174 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])c3cnccc31)CCO2 ZINC000591995327 468593209 /nfs/dbraw/zinc/59/32/09/468593209.db2.gz ZWFRVEICCDRLMX-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO C[C@@H]1CC[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600711640 468629317 /nfs/dbraw/zinc/62/93/17/468629317.db2.gz TVEBFBROCOPEGM-IVMMDQJWSA-N 1 0 329.404 2.148 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000557519594 468634180 /nfs/dbraw/zinc/63/41/80/468634180.db2.gz PZKMXJIYAORGJB-CYBMUJFWSA-N 1 0 333.388 2.364 10 5 EEBERO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594951116 468730427 /nfs/dbraw/zinc/73/04/27/468730427.db2.gz BMHBODCPWHEJHS-VZJVUDMVSA-N 1 0 331.372 2.406 10 5 EEBERO C[C@@H](CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597992460 468734811 /nfs/dbraw/zinc/73/48/11/468734811.db2.gz LXWHBBHXVWZPAE-VIFPVBQESA-N 1 0 331.319 2.266 10 5 EEBERO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000594974543 468736093 /nfs/dbraw/zinc/73/60/93/468736093.db2.gz LPEIJUXNOFXEAP-GOSISDBHSA-N 1 0 341.411 2.451 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601118303 468748478 /nfs/dbraw/zinc/74/84/78/468748478.db2.gz CFBQPQDGVCQWFL-QGZVFWFLSA-N 1 0 346.362 2.178 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000601189937 468775899 /nfs/dbraw/zinc/77/58/99/468775899.db2.gz XIAQTXXHGVUUHD-KRWDZBQOSA-N 1 0 330.388 2.036 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CN(c2ccncn2)C1)C1CC1 ZINC000601304276 468819194 /nfs/dbraw/zinc/81/91/94/468819194.db2.gz PCOUXXAKGDKFTF-INIZCTEOSA-N 1 0 339.399 2.184 10 5 EEBERO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000571759776 468835186 /nfs/dbraw/zinc/83/51/86/468835186.db2.gz VZUFBZQWLZHBSC-UHFFFAOYSA-N 1 0 334.401 2.255 10 5 EEBERO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCc2ccccc21 ZINC000593092017 468868136 /nfs/dbraw/zinc/86/81/36/468868136.db2.gz RFJUHOLEEIXDBP-AWEZNQCLSA-N 1 0 327.384 2.418 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595502777 468879097 /nfs/dbraw/zinc/87/90/97/468879097.db2.gz VXEWSBFCUJSJRK-CQSZACIVSA-N 1 0 328.372 2.031 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595749953 468987334 /nfs/dbraw/zinc/98/73/34/468987334.db2.gz IVPITKYRXJPZRX-GOSISDBHSA-N 1 0 347.415 2.469 10 5 EEBERO Cc1c(NC(=O)CC[NH2+][C@@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595779237 469004120 /nfs/dbraw/zinc/00/41/20/469004120.db2.gz BARIIJPUISOAIZ-CABCVRRESA-N 1 0 333.388 2.125 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000595906616 469075717 /nfs/dbraw/zinc/07/57/17/469075717.db2.gz MCHGMMWJZXYMJC-AWEZNQCLSA-N 1 0 347.419 2.014 10 5 EEBERO C[N@H+]1Cc2ccccc2[C@@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588007594 469103809 /nfs/dbraw/zinc/10/38/09/469103809.db2.gz POPZNKHNYGWMNM-INIZCTEOSA-N 1 0 328.372 2.268 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610903978 469109421 /nfs/dbraw/zinc/10/94/21/469109421.db2.gz DDYNMRQCOKVNPA-NSHDSACASA-N 1 0 342.193 2.181 10 5 EEBERO CN(C)CC[N@H+](C)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599085264 469111615 /nfs/dbraw/zinc/11/16/15/469111615.db2.gz ODEYUFJBJSGBBI-UHFFFAOYSA-N 1 0 331.420 2.438 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1ccc3cnccc3c1[N+](=O)[O-])CCO2 ZINC000599093310 469117001 /nfs/dbraw/zinc/11/70/01/469117001.db2.gz ONESGIYOZKDPAY-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596069594 469138603 /nfs/dbraw/zinc/13/86/03/469138603.db2.gz NDFCDPCJDMVOKY-XNRPHZJLSA-N 1 0 338.404 2.270 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000599182805 469152862 /nfs/dbraw/zinc/15/28/62/469152862.db2.gz CAVNZIAHLKTSNL-UHFFFAOYSA-N 1 0 334.420 2.379 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2cccnc2)CC1 ZINC000611258901 469211551 /nfs/dbraw/zinc/21/15/51/469211551.db2.gz CISPVIVFVHQZDQ-UHFFFAOYSA-N 1 0 328.372 2.031 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC([N@@H+]4CCCOCC4)CC3)nc2c1 ZINC000596269514 469227085 /nfs/dbraw/zinc/22/70/85/469227085.db2.gz VYJKGUXPSNVIRG-UHFFFAOYSA-N 1 0 345.403 2.162 10 5 EEBERO CC[C@@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000611403266 469241925 /nfs/dbraw/zinc/24/19/25/469241925.db2.gz FKMCIEJENASEPH-IUODEOHRSA-N 1 0 326.418 2.460 10 5 EEBERO CC(=O)c1ccc(N[C@@H](C)CN(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596361291 469250466 /nfs/dbraw/zinc/25/04/66/469250466.db2.gz RLBCWOIEAQEGSQ-ZDUSSCGKSA-N 1 0 336.436 2.481 10 5 EEBERO COc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000596567435 469302512 /nfs/dbraw/zinc/30/25/12/469302512.db2.gz NUAZVTBAFMWLPL-GFCCVEGCSA-N 1 0 341.383 2.290 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cccc1[N+](=O)[O-] ZINC000599682014 469336056 /nfs/dbraw/zinc/33/60/56/469336056.db2.gz VAZIHKFCNPFYRA-XGWLTEMNSA-N 1 0 333.388 2.077 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000619255416 469559329 /nfs/dbraw/zinc/55/93/29/469559329.db2.gz XYEBUPIGOKVTKB-GOSISDBHSA-N 1 0 349.431 2.049 10 5 EEBERO COc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610178061 469985647 /nfs/dbraw/zinc/98/56/47/469985647.db2.gz MXVSVKNZCSINID-OCCSQVGLSA-N 1 0 335.404 2.087 10 5 EEBERO CCOC(=O)c1ccnc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000596308781 485611687 /nfs/dbraw/zinc/61/16/87/485611687.db2.gz UTGMYCOKBPMEIT-NSHDSACASA-N 1 0 336.392 2.451 10 5 EEBERO C[NH+](C)CCOC1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000447695880 535893652 /nfs/dbraw/zinc/89/36/52/535893652.db2.gz ZFUSUFJNIFAPSN-UHFFFAOYSA-N 1 0 333.392 2.018 10 5 EEBERO COC[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000452075016 536525968 /nfs/dbraw/zinc/52/59/68/536525968.db2.gz BOUMTDPCYADUNL-HOCLYGCPSA-N 1 0 338.404 2.083 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)NCCCCCCC[NH+]2CCCC2)n1 ZINC000772907955 577305321 /nfs/dbraw/zinc/30/53/21/577305321.db2.gz AXKMVZWFKVYSBW-UHFFFAOYSA-N 1 0 337.424 2.104 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000752016532 577764652 /nfs/dbraw/zinc/76/46/52/577764652.db2.gz YVIUDOQIJGDCHI-BHEFUSTPSA-N 1 0 347.415 2.225 10 5 EEBERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000741118412 578113078 /nfs/dbraw/zinc/11/30/78/578113078.db2.gz QLQIOHQKAJKJAD-HNNXBMFYSA-N 1 0 340.351 2.248 10 5 EEBERO CC(C)[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H](O)C(F)(F)F ZINC000894681520 683023613 /nfs/dbraw/zinc/02/36/13/683023613.db2.gz WMKXLRRDIHXFEM-ZIUMLUTBSA-N 1 0 336.314 2.032 10 5 EEBERO COc1c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC000898833690 693475238 /nfs/dbraw/zinc/47/52/38/693475238.db2.gz XALZTPGECIKVJP-ZIAGYGMSSA-N 1 0 333.388 2.206 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC000898840379 693487972 /nfs/dbraw/zinc/48/79/72/693487972.db2.gz JBNCVEJCGVPSRF-LSDHHAIUSA-N 1 0 333.388 2.206 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1csc(C)c1 ZINC001691181071 1177678906 /nfs/dbraw/zinc/67/89/06/1177678906.db2.gz PAQMGGGYBCQMOB-ZIAGYGMSSA-N 1 0 325.434 2.050 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccncc1 ZINC001691373940 1177979184 /nfs/dbraw/zinc/97/91/84/1177979184.db2.gz KDMPACNMVMOLBH-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1cccnc1 ZINC001691379801 1177986429 /nfs/dbraw/zinc/98/64/29/1177986429.db2.gz VOCFMXLBTZLLKQ-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnc(F)c1 ZINC001482988797 1187962698 /nfs/dbraw/zinc/96/26/98/1187962698.db2.gz YKUPYWUXVUUETK-OWOJBTEDSA-N 1 0 344.346 2.205 10 5 EEBERO C[C@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000864618497 1197845187 /nfs/dbraw/zinc/84/51/87/1197845187.db2.gz INRSOSFMYGBOQR-JTQLQIEISA-N 1 0 343.330 2.071 10 5 EEBERO COC(=O)Cc1ccc(N[C@H]2CCCN(CCF)C2)c([N+](=O)[O-])c1 ZINC000865927573 1198427582 /nfs/dbraw/zinc/42/75/82/1198427582.db2.gz DGMWVBDWLFIMBT-ZDUSSCGKSA-N 1 0 339.367 2.156 10 5 EEBERO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000866257423 1201477675 /nfs/dbraw/zinc/47/76/75/1201477675.db2.gz HDIKRHGTHCJECN-UHFFFAOYSA-N 1 0 340.811 2.192 10 5 EEBERO COCCC1(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]CC1 ZINC000868043668 1201733123 /nfs/dbraw/zinc/73/31/23/1201733123.db2.gz QAVLLGAGDCTJML-UHFFFAOYSA-N 1 0 341.795 2.137 10 5 EEBERO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001149051037 1202192081 /nfs/dbraw/zinc/19/20/81/1202192081.db2.gz KJJSQAOONMQAFE-MLGOLLRUSA-N 1 0 334.420 2.369 10 5 EEBERO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[NH+]1CCCC1 ZINC000929459547 1206476831 /nfs/dbraw/zinc/47/68/31/1206476831.db2.gz WPLOMDWXAWUDLC-UHFFFAOYSA-N 1 0 325.796 2.393 10 5 EEBERO O=C(CCN[C@H]1CC[NH2+]C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903486656 1240626644 /nfs/dbraw/zinc/62/66/44/1240626644.db2.gz XFSQFLUDQIIFRG-HNNXBMFYSA-N 1 0 332.404 2.188 10 5 EEBERO COc1cc(CN2C[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000903552563 1240910466 /nfs/dbraw/zinc/91/04/66/1240910466.db2.gz PJIXPAKWBUAURY-ZDUSSCGKSA-N 1 0 345.346 2.374 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccco1 ZINC001273673667 1282952480 /nfs/dbraw/zinc/95/24/80/1282952480.db2.gz GZHWIHCZQNJEFA-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO CCCn1nccc1NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001197646081 1284725907 /nfs/dbraw/zinc/72/59/07/1284725907.db2.gz ATMKLTGTINDEHM-GFCCVEGCSA-N 1 0 331.376 2.491 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(-c3cc(C4CC[NH2+]CC4)no3)n2)o1 ZINC000854160655 1292652085 /nfs/dbraw/zinc/65/20/85/1292652085.db2.gz RDDGYOSAVANPNJ-UHFFFAOYSA-N 1 0 331.288 2.360 10 5 EEBERO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764776 1293910466 /nfs/dbraw/zinc/91/04/66/1293910466.db2.gz AHOYADKIFGYXOF-GHMZBOCLSA-N 1 0 343.330 2.152 10 5 EEBERO CCCC[N@H+](C)CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863503129 1296312624 /nfs/dbraw/zinc/31/26/24/1296312624.db2.gz BZPSCEBBXYXOQN-QGZVFWFLSA-N 1 0 348.403 2.094 10 5 EEBERO C[C@]1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000863563494 1296337451 /nfs/dbraw/zinc/33/74/51/1296337451.db2.gz OQEFAYUQNXROHS-QAPCUYQASA-N 1 0 344.367 2.448 10 5 EEBERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001142620138 1315679349 /nfs/dbraw/zinc/67/93/49/1315679349.db2.gz ANLYZUWOPWSMMS-LBPRGKRZSA-N 1 0 325.796 2.343 10 5 EEBERO O=C(Oc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842296192 1315684322 /nfs/dbraw/zinc/68/43/22/1315684322.db2.gz SPLCYSDATBSYMF-HZPDHXFCSA-N 1 0 334.372 2.122 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000843474771 1315920667 /nfs/dbraw/zinc/92/06/67/1315920667.db2.gz VDBCUKDCBVFKTB-INIZCTEOSA-N 1 0 348.359 2.027 10 5 EEBERO C[C@@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001166143500 1321663591 /nfs/dbraw/zinc/66/35/91/1321663591.db2.gz YOKIWXQMQMHVFF-MRXNPFEDSA-N 1 0 337.807 2.391 10 5 EEBERO CNc1ccc(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC001263620691 1322495790 /nfs/dbraw/zinc/49/57/90/1322495790.db2.gz ZVVZPCAXWGXWRI-CQSZACIVSA-N 1 0 349.387 2.047 10 5 EEBERO CC(C)=CC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001281207148 1324873769 /nfs/dbraw/zinc/87/37/69/1324873769.db2.gz FQCZMEXTEKEREY-UHFFFAOYSA-N 1 0 347.415 2.316 10 5 EEBERO CCOCC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001282953588 1325850836 /nfs/dbraw/zinc/85/08/36/1325850836.db2.gz JOPWOVVOGRCEMQ-UHFFFAOYSA-N 1 0 347.415 2.056 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001297103606 1329943411 /nfs/dbraw/zinc/94/34/11/1329943411.db2.gz CHAIHSLAELIPSU-RYUDHWBXSA-N 1 0 345.403 2.208 10 5 EEBERO O=C(CCn1cccc1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001317090947 1332075451 /nfs/dbraw/zinc/07/54/51/1332075451.db2.gz XEORTBVLTKSCMJ-WKILWMFISA-N 1 0 342.399 2.223 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC001349775814 1337646923 /nfs/dbraw/zinc/64/69/23/1337646923.db2.gz DALRGJZMTUGVEM-WCFLWFBJSA-N 1 0 328.372 2.146 10 5 EEBERO C[N@H+](CCNC(=O)CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001567271600 1342730059 /nfs/dbraw/zinc/73/00/59/1342730059.db2.gz DCYFXDYDRQTVKC-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001570190838 1343030664 /nfs/dbraw/zinc/03/06/64/1343030664.db2.gz ZLXKXYRALXXNLW-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO Cn1cnnc1CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001648374443 1353427670 /nfs/dbraw/zinc/42/76/70/1353427670.db2.gz CCUMRORXZCKHML-UHFFFAOYSA-N 1 0 345.403 2.057 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1C[NH+]2CCC1CC2 ZINC001651509865 1354055644 /nfs/dbraw/zinc/05/56/44/1354055644.db2.gz SENVZZWDKOGDFZ-ZDUSSCGKSA-N 1 0 333.388 2.444 10 5 EEBERO C[C@@H]([NH2+]C[C@@H](O)CN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001654747249 1354156603 /nfs/dbraw/zinc/15/66/03/1354156603.db2.gz PSQVOKXFEMWMAW-ZWNOBZJWSA-N 1 0 335.326 2.100 10 5 EEBERO CC[C@@H](C)[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001654845225 1354159422 /nfs/dbraw/zinc/15/94/22/1354159422.db2.gz YDTVCLRVRYWYJQ-CHWSQXEVSA-N 1 0 343.449 2.240 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1cn[nH]c1 ZINC001665904833 1355407813 /nfs/dbraw/zinc/40/78/13/1355407813.db2.gz MRWOKZUWGKZOKK-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC001668702995 1355990722 /nfs/dbraw/zinc/99/07/22/1355990722.db2.gz XPUHGGXYQVKGRQ-WAYWQWQTSA-N 1 0 342.399 2.318 10 5 EEBERO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000818562985 785293894 /nfs/dbraw/zinc/29/38/94/785293894.db2.gz IEKBSDIRMSJORC-LLVKDONJSA-N 1 0 341.770 2.283 10 5 EEBERO CC[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001136667130 787551719 /nfs/dbraw/zinc/55/17/19/787551719.db2.gz QOBCJLJPXNNYJY-UHFFFAOYSA-N 1 0 325.796 2.345 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001136669053 787557713 /nfs/dbraw/zinc/55/77/13/787557713.db2.gz NQWJHTIORLEJMH-DZGCQCFKSA-N 1 0 335.404 2.210 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)n1 ZINC000912807678 788366662 /nfs/dbraw/zinc/36/66/62/788366662.db2.gz OHVKULZZOCYNDL-CHWSQXEVSA-N 1 0 337.424 2.004 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912923766 788472924 /nfs/dbraw/zinc/47/29/24/788472924.db2.gz IVKUIFIDEXLDSC-JSGCOSHPSA-N 1 0 335.429 2.382 10 5 EEBERO C[NH+]1CCC(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000913385095 788833807 /nfs/dbraw/zinc/83/38/07/788833807.db2.gz PEOMVFHDPUSBMS-UHFFFAOYSA-N 1 0 329.759 2.345 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442486 789126946 /nfs/dbraw/zinc/12/69/46/789126946.db2.gz YRVRKVDKKPIKCM-DOMZBBRYSA-N 1 0 342.342 2.456 10 5 EEBERO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001148546886 792521670 /nfs/dbraw/zinc/52/16/70/792521670.db2.gz BOTXNEKSIMCSNI-SFYZADRCSA-N 1 0 344.774 2.182 10 5 EEBERO O=C(NC12CC[NH+](CC1)C2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000913628579 794000450 /nfs/dbraw/zinc/00/04/50/794000450.db2.gz JOVRWNJKNBFCLT-UHFFFAOYSA-N 1 0 344.396 2.296 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC001441848080 1095931199 /nfs/dbraw/zinc/93/11/99/1095931199.db2.gz ZTXFOQNDTNQCEK-OAHLLOKOSA-N 1 0 342.399 2.400 10 5 EEBERO CC[N@H+](CCCNC(=O)c1n[nH]cc1F)Cc1ccccc1[N+](=O)[O-] ZINC001479853610 1099155289 /nfs/dbraw/zinc/15/52/89/1099155289.db2.gz CSGREBGDOKQYST-UHFFFAOYSA-N 1 0 349.366 2.099 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccnn1C ZINC001460659871 1110320406 /nfs/dbraw/zinc/32/04/06/1110320406.db2.gz MBBVITITZJTNPE-GFCCVEGCSA-N 1 0 331.376 2.316 10 5 EEBERO C[N@@H+]1CC[C@H](CCOC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001519560601 1119088909 /nfs/dbraw/zinc/08/89/09/1119088909.db2.gz PEMYXFBKFOOAMR-SECBINFHSA-N 1 0 327.768 2.329 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001542464868 1124113632 /nfs/dbraw/zinc/11/36/32/1124113632.db2.gz RRHKETXHLSHUHN-CYBMUJFWSA-N 1 0 333.388 2.304 10 5 EEBERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001543664248 1124133007 /nfs/dbraw/zinc/13/30/07/1124133007.db2.gz LTHOSCYMBOUFBL-AEJSXWLSSA-N 1 0 343.815 2.068 10 5 EEBERO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193305688 535035267 /nfs/dbraw/zinc/03/52/67/535035267.db2.gz NXGUMXJAKLNMMY-SNVBAGLBSA-N 1 0 349.840 2.352 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000183342083 235017937 /nfs/dbraw/zinc/01/79/37/235017937.db2.gz LCNIVFQYFUGBMX-UHFFFAOYSA-N 1 0 333.432 2.447 10 5 EEBERO O=C(C[NH2+]CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000037613294 202022623 /nfs/dbraw/zinc/02/26/23/202022623.db2.gz VVCWVZLUFCBCEN-UHFFFAOYSA-N 1 0 328.166 2.295 10 5 EEBERO C[C@]([NH3+])(C(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000037615467 202023687 /nfs/dbraw/zinc/02/36/87/202023687.db2.gz FAXLIFMMIGLETP-GFCCVEGCSA-N 1 0 328.166 2.423 10 5 EEBERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cn1 ZINC000193981882 240388077 /nfs/dbraw/zinc/38/80/77/240388077.db2.gz QCQZARSIPKDRRB-LLVKDONJSA-N 1 0 331.332 2.226 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451919741 243316727 /nfs/dbraw/zinc/31/67/27/243316727.db2.gz ZYVLJSYFDVMIOH-MFKMUULPSA-N 1 0 334.294 2.219 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000069704060 203039196 /nfs/dbraw/zinc/03/91/96/203039196.db2.gz XBTPUBIGMYEBMH-STQMWFEESA-N 1 0 335.404 2.468 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cnccn1 ZINC000174643714 207040881 /nfs/dbraw/zinc/04/08/81/207040881.db2.gz HSRJYJHFOJMPNJ-UHFFFAOYSA-N 1 0 329.360 2.154 10 5 EEBERO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1N1CCOCC1 ZINC000177254624 207313266 /nfs/dbraw/zinc/31/32/66/207313266.db2.gz QJMBBUIDVIOATM-YJBOKZPZSA-N 1 0 349.431 2.016 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268772848 252224454 /nfs/dbraw/zinc/22/44/54/252224454.db2.gz YPGDBBDSHWRZAI-AWEZNQCLSA-N 1 0 328.372 2.269 10 5 EEBERO COc1cc(CN2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000415059380 286220076 /nfs/dbraw/zinc/22/00/76/286220076.db2.gz XWJPXBJBFKWRNZ-WPRPVWTQSA-N 1 0 331.319 2.126 10 5 EEBERO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374322398 154049701 /nfs/dbraw/zinc/04/97/01/154049701.db2.gz CPXWCJAMNNMYGE-HIFRSBDPSA-N 1 0 338.477 2.114 10 5 EEBERO C[NH+](C)CCn1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000102470669 159264961 /nfs/dbraw/zinc/26/49/61/159264961.db2.gz HXCXXEDTHUMMJJ-UHFFFAOYSA-N 1 0 342.359 2.087 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000342438698 161065545 /nfs/dbraw/zinc/06/55/45/161065545.db2.gz PFSHCQDDIBGLSG-GHMZBOCLSA-N 1 0 341.358 2.357 10 5 EEBERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)n(C)n1 ZINC000277728685 269176172 /nfs/dbraw/zinc/17/61/72/269176172.db2.gz OJCNLQDTKQVBHD-OAHLLOKOSA-N 1 0 329.404 2.395 10 5 EEBERO [NH3+]C1(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000415699809 313168505 /nfs/dbraw/zinc/16/85/05/313168505.db2.gz KLNYZYCFARSSIE-UHFFFAOYSA-N 1 0 343.181 2.360 10 5 EEBERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000421709960 314147839 /nfs/dbraw/zinc/14/78/39/314147839.db2.gz IBNPPPNBPVAJIU-LLVKDONJSA-N 1 0 343.330 2.362 10 5 EEBERO CS[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1[NH+](C)C ZINC000564892782 319123773 /nfs/dbraw/zinc/12/37/73/319123773.db2.gz DOTBPTMJEVIBMR-GJZGRUSLSA-N 1 0 336.461 2.350 10 5 EEBERO CNc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000575747262 320110417 /nfs/dbraw/zinc/11/04/17/320110417.db2.gz JRMYGABSWGHBNG-UHFFFAOYSA-N 1 0 342.399 2.280 10 5 EEBERO CC(C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCN(C)CC1 ZINC000327113812 465048428 /nfs/dbraw/zinc/04/84/28/465048428.db2.gz GFRCAOXDTZGGRH-INIZCTEOSA-N 1 0 346.435 2.155 10 5 EEBERO CCOC(=O)c1ccnc(N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590567616 468274879 /nfs/dbraw/zinc/27/48/79/468274879.db2.gz CNOGMRACURYELT-UHFFFAOYSA-N 1 0 348.403 2.089 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000119449770 462901879 /nfs/dbraw/zinc/90/18/79/462901879.db2.gz QIVNMOOZVWSWOK-AWEZNQCLSA-N 1 0 349.435 2.057 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000568525146 468351608 /nfs/dbraw/zinc/35/16/08/468351608.db2.gz FDRPNWGFFKHFED-UHFFFAOYSA-N 1 0 341.795 2.089 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000287759851 463991083 /nfs/dbraw/zinc/99/10/83/463991083.db2.gz NCZJSUCULJMFIW-LBPRGKRZSA-N 1 0 336.392 2.005 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172423568 464076810 /nfs/dbraw/zinc/07/68/10/464076810.db2.gz UJUPCIBUWWTYEV-UHFFFAOYSA-N 1 0 332.404 2.389 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187899629 464173436 /nfs/dbraw/zinc/17/34/36/464173436.db2.gz PPEOVSUYOSXJHE-SUMWQHHRSA-N 1 0 338.404 2.465 10 5 EEBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173273741 464227258 /nfs/dbraw/zinc/22/72/58/464227258.db2.gz PLGQFOOTZLDYFL-YPMHNXCESA-N 1 0 341.433 2.006 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000174111844 464362434 /nfs/dbraw/zinc/36/24/34/464362434.db2.gz QNBVHOMDIRMEPV-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO CCOC(=O)c1ccnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c1[N+](=O)[O-] ZINC000174924081 464469615 /nfs/dbraw/zinc/46/96/15/464469615.db2.gz HQQBZDMNDWSYML-QWHCGFSZSA-N 1 0 348.403 2.230 10 5 EEBERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182925648 464758897 /nfs/dbraw/zinc/75/88/97/464758897.db2.gz XOTDJYUVCSZCSL-MLGOLLRUSA-N 1 0 329.356 2.245 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176883049 464873874 /nfs/dbraw/zinc/87/38/74/464873874.db2.gz QRULXDGSFQUWOE-INIZCTEOSA-N 1 0 328.372 2.331 10 5 EEBERO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091539 468440181 /nfs/dbraw/zinc/44/01/81/468440181.db2.gz CLRYKKLVSCSHGC-JTQLQIEISA-N 1 0 341.799 2.388 10 5 EEBERO Cn1ccnc1[C@@H](NCCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353495736 465929912 /nfs/dbraw/zinc/92/99/12/465929912.db2.gz IYFYNZIJWZVFNQ-INIZCTEOSA-N 1 0 331.420 2.349 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000591370622 468461367 /nfs/dbraw/zinc/46/13/67/468461367.db2.gz LRPIGIIEBKZUQZ-QWHCGFSZSA-N 1 0 330.388 2.034 10 5 EEBERO COc1cc(C[NH2+]CC[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000349293905 466053905 /nfs/dbraw/zinc/05/39/05/466053905.db2.gz GVHYDUJNWFDSKY-GFCCVEGCSA-N 1 0 338.282 2.015 10 5 EEBERO O=C([C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)N1CCCC1 ZINC000349343239 466074936 /nfs/dbraw/zinc/07/49/36/466074936.db2.gz CELMDIBHUGNQSY-HNNXBMFYSA-N 1 0 347.415 2.308 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCCO1 ZINC000594041077 468469672 /nfs/dbraw/zinc/46/96/72/468469672.db2.gz CEFUHXFRQDXARL-NVXWUHKLSA-N 1 0 347.415 2.421 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000302185602 466114761 /nfs/dbraw/zinc/11/47/61/466114761.db2.gz PGAGHHDFFAJBAQ-KBPBESRZSA-N 1 0 333.388 2.302 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000569374201 468482102 /nfs/dbraw/zinc/48/21/02/468482102.db2.gz VLZQJBVXHQFQPD-UHFFFAOYSA-N 1 0 333.388 2.337 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000594102638 468485024 /nfs/dbraw/zinc/48/50/24/468485024.db2.gz NWCBXKWCRNSSBV-TXEJJXNPSA-N 1 0 328.372 2.213 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206987 468495921 /nfs/dbraw/zinc/49/59/21/468495921.db2.gz JZURAAOEVAFIRX-SZWGIHMLSA-N 1 0 336.413 2.260 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423968094 466931464 /nfs/dbraw/zinc/93/14/64/466931464.db2.gz HQZLSDMYMGUBBN-GJZGRUSLSA-N 1 0 347.415 2.354 10 5 EEBERO CC[C@@H]1C[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453578021 467498616 /nfs/dbraw/zinc/49/86/16/467498616.db2.gz OUEYXJCIWRLCAC-HUUCEWRRSA-N 1 0 334.420 2.317 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1CCO ZINC000449393244 467636682 /nfs/dbraw/zinc/63/66/82/467636682.db2.gz LUQBZDYJLMVLAH-WBVHZDCISA-N 1 0 335.448 2.352 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000450345941 467831432 /nfs/dbraw/zinc/83/14/32/467831432.db2.gz GPLJVSNDLOCBRO-WBVHZDCISA-N 1 0 342.399 2.285 10 5 EEBERO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+]2CCC1CC2 ZINC000450478004 467856602 /nfs/dbraw/zinc/85/66/02/467856602.db2.gz YVDZUZBPUIYSDK-UHFFFAOYSA-N 1 0 328.372 2.436 10 5 EEBERO CC(C)(C)CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000450879236 467925364 /nfs/dbraw/zinc/92/53/64/467925364.db2.gz NLKQMFATNQKHOF-UHFFFAOYSA-N 1 0 336.440 2.304 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000514604685 467943205 /nfs/dbraw/zinc/94/32/05/467943205.db2.gz HIRPRPVRJGHPOI-QGZVFWFLSA-N 1 0 340.383 2.091 10 5 EEBERO CC(C)OCC[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000591767734 468518409 /nfs/dbraw/zinc/51/84/09/468518409.db2.gz SGUKTRJZVKFGBS-HNNXBMFYSA-N 1 0 335.404 2.384 10 5 EEBERO COC(=O)c1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000594606657 468634294 /nfs/dbraw/zinc/63/42/94/468634294.db2.gz JZGWARJUNAHGFY-UHFFFAOYSA-N 1 0 333.344 2.248 10 5 EEBERO CC(C)[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000558577664 468689614 /nfs/dbraw/zinc/68/96/14/468689614.db2.gz ZAOLENRRITVFOV-INIZCTEOSA-N 1 0 332.404 2.321 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000597856853 468694973 /nfs/dbraw/zinc/69/49/73/468694973.db2.gz BISSMKMDEPFXBM-LLVKDONJSA-N 1 0 331.376 2.074 10 5 EEBERO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597947603 468722318 /nfs/dbraw/zinc/72/23/18/468722318.db2.gz ZTYJUTAFCZSHDA-AWEZNQCLSA-N 1 0 332.404 2.335 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1C ZINC000601135624 468756049 /nfs/dbraw/zinc/75/60/49/468756049.db2.gz ICCDTMGCTOYJMU-DTWKUNHWSA-N 1 0 335.330 2.266 10 5 EEBERO CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000601165970 468766931 /nfs/dbraw/zinc/76/69/31/468766931.db2.gz WCNTXVSUCXTOJN-ULKQDVFKSA-N 1 0 347.341 2.409 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601175873 468771692 /nfs/dbraw/zinc/77/16/92/468771692.db2.gz RCBQNSPCFURTSG-STQMWFEESA-N 1 0 330.388 2.034 10 5 EEBERO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000595269379 468797721 /nfs/dbraw/zinc/79/77/21/468797721.db2.gz PSQIOQHSKZIVEE-GDBMZVCRSA-N 1 0 325.368 2.470 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1 ZINC000593031356 468845760 /nfs/dbraw/zinc/84/57/60/468845760.db2.gz DQNFNPXBWKTJPW-OAHLLOKOSA-N 1 0 336.388 2.268 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000593075131 468860705 /nfs/dbraw/zinc/86/07/05/468860705.db2.gz LIPPXQWUMYTGHY-SWLSCSKDSA-N 1 0 337.395 2.465 10 5 EEBERO C[N@H+]1CC=C(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000601408421 468862110 /nfs/dbraw/zinc/86/21/10/468862110.db2.gz AWRVLVWMZQYFNS-UHFFFAOYSA-N 1 0 329.400 2.395 10 5 EEBERO COCC[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 ZINC000593100865 468872182 /nfs/dbraw/zinc/87/21/82/468872182.db2.gz KWTVLEUJKZAWLD-UHFFFAOYSA-N 1 0 347.419 2.014 10 5 EEBERO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000595689197 468956384 /nfs/dbraw/zinc/95/63/84/468956384.db2.gz NMLDCRKLTKYNFH-CALCHBBNSA-N 1 0 334.372 2.320 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[N@@H+](C)CC(C)C ZINC000593617287 469061288 /nfs/dbraw/zinc/06/12/88/469061288.db2.gz ZXZOHLRUECWYQU-UHFFFAOYSA-N 1 0 343.449 2.159 10 5 EEBERO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000598978196 469074107 /nfs/dbraw/zinc/07/41/07/469074107.db2.gz DDPMGTOGJRVQIN-INIZCTEOSA-N 1 0 332.404 2.411 10 5 EEBERO O=[N+]([O-])c1c(NC[C@H](O)C[NH+]2CCCCC2)ccc2cnccc21 ZINC000599019886 469091287 /nfs/dbraw/zinc/09/12/87/469091287.db2.gz NWOBEBBWRBTIRJ-AWEZNQCLSA-N 1 0 330.388 2.402 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H](C(F)F)CC1 ZINC000601975241 469121278 /nfs/dbraw/zinc/12/12/78/469121278.db2.gz MNFDGXSZINHUBG-ZDUSSCGKSA-N 1 0 343.330 2.198 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000599138385 469133698 /nfs/dbraw/zinc/13/36/98/469133698.db2.gz AXFHBOLSWGBWTH-AWEZNQCLSA-N 1 0 328.372 2.685 10 5 EEBERO COc1cc2cc[nH+]c(NCCn3cc([N+](=O)[O-])cn3)c2cc1OC ZINC000596165917 469183397 /nfs/dbraw/zinc/18/33/97/469183397.db2.gz NHBFNPVYHABMKJ-UHFFFAOYSA-N 1 0 343.343 2.469 10 5 EEBERO COc1cc(NCCN(C)CCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000596426039 469262300 /nfs/dbraw/zinc/26/23/00/469262300.db2.gz ZVOVIWOFHVMYGY-UHFFFAOYSA-N 1 0 328.388 2.038 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000596496867 469284661 /nfs/dbraw/zinc/28/46/61/469284661.db2.gz IEYVMZJZXYHROL-HNNXBMFYSA-N 1 0 336.392 2.169 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000604199390 469463057 /nfs/dbraw/zinc/46/30/57/469463057.db2.gz QRYIRVNZWAFQEA-CQSZACIVSA-N 1 0 332.404 2.019 10 5 EEBERO C[C@H]1C[NH+](C(C)(C)CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C[C@H](C)O1 ZINC000617426725 469676385 /nfs/dbraw/zinc/67/63/85/469676385.db2.gz JVFQMMAAXNTZJY-RYUDHWBXSA-N 1 0 347.419 2.193 10 5 EEBERO Nc1c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc(F)cc1[N+](=O)[O-] ZINC000608907979 469886147 /nfs/dbraw/zinc/88/61/47/469886147.db2.gz SGTKSWUAGCJBTD-UHFFFAOYSA-N 1 0 342.290 2.149 10 5 EEBERO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000532392628 485543952 /nfs/dbraw/zinc/54/39/52/485543952.db2.gz RJKPSSANFXKGBR-CYBMUJFWSA-N 1 0 328.372 2.240 10 5 EEBERO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC000425058829 536488458 /nfs/dbraw/zinc/48/84/58/536488458.db2.gz PSRZKHNOZQIPCC-MEDUHNTESA-N 1 0 328.372 2.242 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000775817179 577446619 /nfs/dbraw/zinc/44/66/19/577446619.db2.gz DHTFWPXDGCWQLH-UHFFFAOYSA-N 1 0 334.420 2.219 10 5 EEBERO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000925235372 688123547 /nfs/dbraw/zinc/12/35/47/688123547.db2.gz ULMJFIUOKCRCIY-CJNGLKHVSA-N 1 0 330.388 2.312 10 5 EEBERO C[C@@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000925329395 692753473 /nfs/dbraw/zinc/75/34/73/692753473.db2.gz ANVVCLHXQXEKQH-IUODEOHRSA-N 1 0 332.404 2.361 10 5 EEBERO CCN(C(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](C)C1 ZINC000898586640 693386242 /nfs/dbraw/zinc/38/62/42/693386242.db2.gz HSKMDCKVMMRURN-CYBMUJFWSA-N 1 0 342.399 2.496 10 5 EEBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000898824156 693474881 /nfs/dbraw/zinc/47/48/81/693474881.db2.gz CIHDTABGKDGTEL-HUUCEWRRSA-N 1 0 335.379 2.265 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC001266560209 1176844791 /nfs/dbraw/zinc/84/47/91/1176844791.db2.gz DLZZUHCOMSOJDF-HUUCEWRRSA-N 1 0 339.823 2.333 10 5 EEBERO CCc1c(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1C ZINC001481279512 1180750760 /nfs/dbraw/zinc/75/07/60/1180750760.db2.gz IFTKUGYUZXDAOE-UHFFFAOYSA-N 1 0 344.415 2.358 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)COC1CCCC1 ZINC001493486967 1182770106 /nfs/dbraw/zinc/77/01/06/1182770106.db2.gz ZRGDIZCDIMTJCJ-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO CCn1cccc1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001268625359 1183549355 /nfs/dbraw/zinc/54/93/55/1183549355.db2.gz NVUAOVQODWWICI-ONEGZZNKSA-N 1 0 342.399 2.492 10 5 EEBERO [NH3+][C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC[C@H]1C(F)(F)F ZINC000905725043 1189899204 /nfs/dbraw/zinc/89/92/04/1189899204.db2.gz XMUMPZAMIPTTOW-BDAKNGLRSA-N 1 0 341.293 2.254 10 5 EEBERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001626016132 1190904651 /nfs/dbraw/zinc/90/46/51/1190904651.db2.gz QNVLLOGQWLKOFD-SNVBAGLBSA-N 1 0 343.815 2.356 10 5 EEBERO C[NH+](C)C1(C)CCC(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000871362019 1197700390 /nfs/dbraw/zinc/70/03/90/1197700390.db2.gz KOQBZLYPKOFLGB-GULBITTBSA-N 1 0 335.404 2.007 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1ncc([N+](=O)[O-])cn1)Cc1ccccc12 ZINC000866017015 1198455626 /nfs/dbraw/zinc/45/56/26/1198455626.db2.gz CDUPOEZMGYDEBZ-UHFFFAOYSA-N 1 0 339.399 2.368 10 5 EEBERO CC[C@H](C[NH+](C)C)OC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000870555353 1200741730 /nfs/dbraw/zinc/74/17/30/1200741730.db2.gz VEUYESPIMCNJAE-SNVBAGLBSA-N 1 0 326.349 2.109 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[C@H]21 ZINC000866204623 1201464132 /nfs/dbraw/zinc/46/41/32/1201464132.db2.gz FEFKEGWONFIQBO-TZMCWYRMSA-N 1 0 330.388 2.010 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000866446990 1201520107 /nfs/dbraw/zinc/52/01/07/1201520107.db2.gz HBJOGSIVYAOVEX-XESDREOXSA-N 1 0 345.399 2.325 10 5 EEBERO O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000866721532 1201589921 /nfs/dbraw/zinc/58/99/21/1201589921.db2.gz WJVAZCACVRAEPV-YPMHNXCESA-N 1 0 338.795 2.013 10 5 EEBERO C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928083965 1206337022 /nfs/dbraw/zinc/33/70/22/1206337022.db2.gz BVCMFJYTZXYKMN-RCBQFDQVSA-N 1 0 349.456 2.394 10 5 EEBERO C[N@@H+]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000929226013 1206457683 /nfs/dbraw/zinc/45/76/83/1206457683.db2.gz WHEZBUZTAQOADT-UHFFFAOYSA-N 1 0 325.796 2.345 10 5 EEBERO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930582892 1206568539 /nfs/dbraw/zinc/56/85/39/1206568539.db2.gz KUBWYHHHQZEPJM-KGLIPLIRSA-N 1 0 327.425 2.375 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000795288347 1212429841 /nfs/dbraw/zinc/42/98/41/1212429841.db2.gz SEYVMLLMDGIZJW-UHFFFAOYSA-N 1 0 332.335 2.464 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000803854805 1242087648 /nfs/dbraw/zinc/08/76/48/1242087648.db2.gz APTLEGOCZPEOAG-ZDUSSCGKSA-N 1 0 349.387 2.341 10 5 EEBERO C[C@H](C[NH+]1CCC(C)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853867812 1292498856 /nfs/dbraw/zinc/49/88/56/1292498856.db2.gz SFKCUAIRCIATKZ-GFCCVEGCSA-N 1 0 348.403 2.458 10 5 EEBERO CC(=O)c1ccc(N2CCO[C@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000853990595 1292573134 /nfs/dbraw/zinc/57/31/34/1292573134.db2.gz QGVGKROVHLVIJH-OAHLLOKOSA-N 1 0 335.404 2.344 10 5 EEBERO Cn1c(C(=O)N2C[C@@H]([NH+](C)C)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000857929838 1293956679 /nfs/dbraw/zinc/95/66/79/1293956679.db2.gz CANKGCXEBYBHHJ-AWEZNQCLSA-N 1 0 342.399 2.457 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000859955307 1294724936 /nfs/dbraw/zinc/72/49/36/1294724936.db2.gz UGHSHEUIFWGOCI-HZMVEIRTSA-N 1 0 348.399 2.292 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000861351331 1295360379 /nfs/dbraw/zinc/36/03/79/1295360379.db2.gz IDQTVPFWZDYESC-YOEHRIQHSA-N 1 0 336.388 2.098 10 5 EEBERO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000927142055 1297034455 /nfs/dbraw/zinc/03/44/55/1297034455.db2.gz CCSKJDYSJRHJMK-IUODEOHRSA-N 1 0 327.388 2.248 10 5 EEBERO O=C(CC1CCOCC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277020417 1300901221 /nfs/dbraw/zinc/90/12/21/1300901221.db2.gz QVIDTZYQJIHFOR-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO CC[C@H]1[C@@H](CO)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839610602 1315219535 /nfs/dbraw/zinc/21/95/35/1315219535.db2.gz OYGIRJKRZGAGGR-MFKMUULPSA-N 1 0 341.795 2.280 10 5 EEBERO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001158568111 1319310160 /nfs/dbraw/zinc/31/01/60/1319310160.db2.gz YKLSZXFOTFGDJL-UHFFFAOYSA-N 1 0 336.367 2.063 10 5 EEBERO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC001163925218 1321248674 /nfs/dbraw/zinc/24/86/74/1321248674.db2.gz QPIGYZNTLNGVJM-OAHLLOKOSA-N 1 0 335.404 2.162 10 5 EEBERO CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[NH+]1CCCC1 ZINC001295098780 1329780035 /nfs/dbraw/zinc/78/00/35/1329780035.db2.gz XZBQIQKFILMBKW-UHFFFAOYSA-N 1 0 344.419 2.405 10 5 EEBERO CC[N@H+](CCNC(=O)c1ccn(C)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317486320 1332262403 /nfs/dbraw/zinc/26/24/03/1332262403.db2.gz RJVYMLMGPCJKBN-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO Cc1cc[nH]c1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001321044554 1333004937 /nfs/dbraw/zinc/00/49/37/1333004937.db2.gz KDTCZNZTEBDMSF-SNAWJCMRSA-N 1 0 328.372 2.307 10 5 EEBERO CC(C)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326449253 1334096317 /nfs/dbraw/zinc/09/63/17/1334096317.db2.gz IJMXTYDVQWZXEJ-IAGOWNOFSA-N 1 0 333.432 2.446 10 5 EEBERO O=C(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001337670453 1336725126 /nfs/dbraw/zinc/72/51/26/1336725126.db2.gz WUYMEUDGDPQZDP-CWQOZTLDSA-N 1 0 343.427 2.069 10 5 EEBERO COc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001346468077 1337484909 /nfs/dbraw/zinc/48/49/09/1337484909.db2.gz NXTVFBYURXYYEN-WCFLWFBJSA-N 1 0 334.376 2.065 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000848293615 1338646456 /nfs/dbraw/zinc/64/64/56/1338646456.db2.gz TWABWWFYDGHZCD-OTVXOJSOSA-N 1 0 346.431 2.265 10 5 EEBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001559290672 1342500484 /nfs/dbraw/zinc/50/04/84/1342500484.db2.gz XRLSTAOORFEXNP-SNVBAGLBSA-N 1 0 331.294 2.181 10 5 EEBERO Cc1noc(C[C@@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001620623304 1344576149 /nfs/dbraw/zinc/57/61/49/1344576149.db2.gz RSQXCQPKGUCJNR-BBRMVZONSA-N 1 0 346.387 2.274 10 5 EEBERO O=C(NCc1ccc2c[nH+]cn2c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001596692569 1349910422 /nfs/dbraw/zinc/91/04/22/1349910422.db2.gz UXUDNCALEUCWBL-UHFFFAOYSA-N 1 0 332.266 2.451 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001633310065 1352608817 /nfs/dbraw/zinc/60/88/17/1352608817.db2.gz KTXMPIKIWNECSP-ZDUSSCGKSA-N 1 0 337.807 2.391 10 5 EEBERO Cn1ccnc1[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)(C)CO ZINC001646468795 1352848791 /nfs/dbraw/zinc/84/87/91/1352848791.db2.gz LQZJGKRCBSVSEM-OAHLLOKOSA-N 1 0 348.403 2.057 10 5 EEBERO CC[N@@H+]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646585669 1352875923 /nfs/dbraw/zinc/87/59/23/1352875923.db2.gz BRALHLWXZHUTLZ-MRXNPFEDSA-N 1 0 347.415 2.404 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001653035469 1354111376 /nfs/dbraw/zinc/11/13/76/1354111376.db2.gz QOGSPABXDFEIRN-WCQYABFASA-N 1 0 349.353 2.409 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001655069338 1354164609 /nfs/dbraw/zinc/16/46/09/1354164609.db2.gz KYOQWOGYGXPDQW-HZPDHXFCSA-N 1 0 335.452 2.294 10 5 EEBERO O=C(C[NH2+]C1([C@H]2CCCO2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001655887038 1354188987 /nfs/dbraw/zinc/18/89/87/1354188987.db2.gz WPZWKZZKFAHUQN-MRXNPFEDSA-N 1 0 345.399 2.175 10 5 EEBERO CN(C(=O)C[N@H+](C)C[C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC001656557823 1354247800 /nfs/dbraw/zinc/24/78/00/1354247800.db2.gz KFJPULKLANLUHF-SJLPKXTDSA-N 1 0 347.415 2.449 10 5 EEBERO CC[N@H+](CCCNC(=O)c1n[nH]cc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001660586449 1354494373 /nfs/dbraw/zinc/49/43/73/1354494373.db2.gz NSBMYIPVPLOWEE-UHFFFAOYSA-N 1 0 349.366 2.099 10 5 EEBERO Cc1nc(C)c(C(=O)NCC=CC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001669045150 1356075232 /nfs/dbraw/zinc/07/52/32/1356075232.db2.gz DZQDZNCDQYMYAR-AATRIKPKSA-N 1 0 343.387 2.011 10 5 EEBERO CCCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001699881177 1405548490 /nfs/dbraw/zinc/54/84/90/1405548490.db2.gz KPOGAGCXXFQILI-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO O=C(N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C12CC[NH+](CC1)C2 ZINC000908969025 785887882 /nfs/dbraw/zinc/88/78/82/785887882.db2.gz PVDVLKOXHFZLRC-OAHLLOKOSA-N 1 0 329.400 2.397 10 5 EEBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000912648241 788281275 /nfs/dbraw/zinc/28/12/75/788281275.db2.gz FFMPIOBYHYNVHQ-KMFMINBZSA-N 1 0 349.431 2.350 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000163856994 789028514 /nfs/dbraw/zinc/02/85/14/789028514.db2.gz FYSPCYOQTUYXBV-LLVKDONJSA-N 1 0 347.412 2.051 10 5 EEBERO NC(=O)c1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001175632036 798172639 /nfs/dbraw/zinc/17/26/39/798172639.db2.gz XANYQZOBMYIPFZ-OAHLLOKOSA-N 1 0 333.388 2.275 10 5 EEBERO CC[N@H+](CCCNC(=O)c1c[nH]nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001566559586 1125733549 /nfs/dbraw/zinc/73/35/49/1125733549.db2.gz LRKSQEVBRAZCTE-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001440748756 1093994803 /nfs/dbraw/zinc/99/48/03/1093994803.db2.gz VUDVOYZAGJUXLZ-UHFFFAOYSA-N 1 0 344.371 2.500 10 5 EEBERO CC1(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001497702559 1102933546 /nfs/dbraw/zinc/93/35/46/1102933546.db2.gz VUKVYNBUXLVLOE-NSCUHMNNSA-N 1 0 347.415 2.174 10 5 EEBERO CC(C)Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001493546413 1108294240 /nfs/dbraw/zinc/29/42/40/1108294240.db2.gz VZVSWZPZNKZWTB-IAGOWNOFSA-N 1 0 333.432 2.098 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC001460836489 1110325392 /nfs/dbraw/zinc/32/53/92/1110325392.db2.gz SZUAYMREJRUPNO-OAHLLOKOSA-N 1 0 349.387 2.233 10 5 EEBERO CNc1c(C(=O)NCc2ccc3c[nH+]cn3c2)cccc1[N+](=O)[O-] ZINC001468835409 1110480931 /nfs/dbraw/zinc/48/09/31/1110480931.db2.gz PIZLADTZSSLOOJ-UHFFFAOYSA-N 1 0 325.328 2.214 10 5 EEBERO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001473602455 1110577633 /nfs/dbraw/zinc/57/76/33/1110577633.db2.gz RCCQHRXOFJHNCL-QWRGUYRKSA-N 1 0 330.344 2.347 10 5 EEBERO COCCC(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001499961944 1112556691 /nfs/dbraw/zinc/55/66/91/1112556691.db2.gz BVHKDNOFHPYSBS-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000451238155 243044199 /nfs/dbraw/zinc/04/41/99/243044199.db2.gz CRUAHGZLYFAULC-YGRLFVJLSA-N 1 0 337.376 2.088 10 5 EEBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451262637 243055768 /nfs/dbraw/zinc/05/57/68/243055768.db2.gz XUSLTKWLXGPOGV-JSGCOSHPSA-N 1 0 332.360 2.238 10 5 EEBERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000176895799 207272255 /nfs/dbraw/zinc/27/22/55/207272255.db2.gz JJMMLYOXQOBRCT-CYBMUJFWSA-N 1 0 348.403 2.163 10 5 EEBERO Nc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000171138607 143833275 /nfs/dbraw/zinc/83/32/75/143833275.db2.gz GEHDZOSJNKDIPC-UHFFFAOYSA-N 1 0 332.404 2.125 10 5 EEBERO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000341302335 160979913 /nfs/dbraw/zinc/97/99/13/160979913.db2.gz ZSJMHKXSVVURJX-VIFPVBQESA-N 1 0 331.319 2.124 10 5 EEBERO CC[C@@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccco1 ZINC000343250072 161116810 /nfs/dbraw/zinc/11/68/10/161116810.db2.gz LWFWMRNTLIUONA-MFKMUULPSA-N 1 0 347.375 2.223 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000352766875 162278800 /nfs/dbraw/zinc/27/88/00/162278800.db2.gz DLASDRDVFPYSCV-AWEZNQCLSA-N 1 0 331.376 2.107 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000360259074 164270318 /nfs/dbraw/zinc/27/03/18/164270318.db2.gz TYUUZYZLUUFOQI-UHFFFAOYSA-N 1 0 347.350 2.046 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000368320524 166087766 /nfs/dbraw/zinc/08/77/66/166087766.db2.gz YQTPMVVUXWSSJN-LPHOPBHVSA-N 1 0 346.475 2.361 10 5 EEBERO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C[N@@H+]1CCO ZINC000419009376 274364718 /nfs/dbraw/zinc/36/47/18/274364718.db2.gz VXPFMMUKZQTKEU-OLZOCXBDSA-N 1 0 330.388 2.034 10 5 EEBERO C[C@@H](CC[NH3+])NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415709343 313170279 /nfs/dbraw/zinc/17/02/79/313170279.db2.gz YFWFQLOLZWICHK-ZETCQYMHSA-N 1 0 331.170 2.216 10 5 EEBERO COCC(C)(C)[NH+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000425287088 314373214 /nfs/dbraw/zinc/37/32/14/314373214.db2.gz ZJRKVWGVDOLMDS-UHFFFAOYSA-N 1 0 341.383 2.290 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000440907534 315158011 /nfs/dbraw/zinc/15/80/11/315158011.db2.gz XIEAITWZLHORBQ-HNNXBMFYSA-N 1 0 338.404 2.009 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cs1 ZINC000449361490 315438579 /nfs/dbraw/zinc/43/85/79/315438579.db2.gz XKZZHFTXIHOVPB-LLVKDONJSA-N 1 0 338.410 2.317 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000537718109 318025165 /nfs/dbraw/zinc/02/51/65/318025165.db2.gz GRSHXUYNODKAGS-LBPRGKRZSA-N 1 0 343.811 2.071 10 5 EEBERO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576148291 320145392 /nfs/dbraw/zinc/14/53/92/320145392.db2.gz XLMLBVWKVZZYSQ-HOTGVXAUSA-N 1 0 335.404 2.388 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000181968197 323360728 /nfs/dbraw/zinc/36/07/28/323360728.db2.gz CNCICZIDXBPLEC-KBPBESRZSA-N 1 0 338.429 2.491 10 5 EEBERO Cc1csc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000184136903 323420295 /nfs/dbraw/zinc/42/02/95/323420295.db2.gz NTACHYLEHHUAFD-AAEUAGOBSA-N 1 0 337.401 2.450 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047216423 462756403 /nfs/dbraw/zinc/75/64/03/462756403.db2.gz JZQIAMJBDMPTNR-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO COc1ccc(NC(=O)CC[N@@H+]2CCCSCC2)c([N+](=O)[O-])c1 ZINC000089985015 462760560 /nfs/dbraw/zinc/76/05/60/462760560.db2.gz LHVPWSGTXVCWER-UHFFFAOYSA-N 1 0 339.417 2.371 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117762293 462813164 /nfs/dbraw/zinc/81/31/64/462813164.db2.gz XVLIUKJJLNQODP-NSHDSACASA-N 1 0 325.796 2.249 10 5 EEBERO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)cn2)CC1 ZINC000076804045 462912053 /nfs/dbraw/zinc/91/20/53/462912053.db2.gz OUFDQWCKHLAIQH-UHFFFAOYSA-N 1 0 342.403 2.139 10 5 EEBERO O=[N+]([O-])c1cnc(NCCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000095940445 463110216 /nfs/dbraw/zinc/11/02/16/463110216.db2.gz YXWGYTIMKWFYGO-UHFFFAOYSA-N 1 0 328.376 2.498 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000122633271 463281376 /nfs/dbraw/zinc/28/13/76/463281376.db2.gz OHFNWLPDXQUATK-DOMZBBRYSA-N 1 0 335.404 2.406 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000043893207 463661583 /nfs/dbraw/zinc/66/15/83/463661583.db2.gz NCBKDIBWIVVGGC-ZDUSSCGKSA-N 1 0 337.424 2.036 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000170856465 463724079 /nfs/dbraw/zinc/72/40/79/463724079.db2.gz OROGESKUFNODSF-HNNXBMFYSA-N 1 0 349.434 2.317 10 5 EEBERO COCC[N@H+](C)CCCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185055569 463743121 /nfs/dbraw/zinc/74/31/21/463743121.db2.gz CTSZRFIKBMLEBO-BUHFOSPRSA-N 1 0 335.404 2.083 10 5 EEBERO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000283173496 463791950 /nfs/dbraw/zinc/79/19/50/463791950.db2.gz DSESRZRTLQSZDI-UONOGXRCSA-N 1 0 334.420 2.338 10 5 EEBERO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c2c(c1)COCO2 ZINC000172045526 463977137 /nfs/dbraw/zinc/97/71/37/463977137.db2.gz CBCXVUNWRYWVID-HBBFGDNQSA-N 1 0 334.372 2.054 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000262254672 463983432 /nfs/dbraw/zinc/98/34/32/463983432.db2.gz QMOHYJOFWOZSDB-DHSIGJKJSA-N 1 0 347.415 2.086 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262264306 463986386 /nfs/dbraw/zinc/98/63/86/463986386.db2.gz JSCPYUQCRIABSO-UHFFFAOYSA-N 1 0 347.400 2.474 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CNc1cnn(CC[NH+](C)C)c1 ZINC000236862275 464231735 /nfs/dbraw/zinc/23/17/35/464231735.db2.gz UMZPVOAQXASSCX-UHFFFAOYSA-N 1 0 333.392 2.364 10 5 EEBERO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000271400390 464300851 /nfs/dbraw/zinc/30/08/51/464300851.db2.gz VQAKSBGHSBEWEW-LBPRGKRZSA-N 1 0 330.344 2.097 10 5 EEBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189142183 464443840 /nfs/dbraw/zinc/44/38/40/464443840.db2.gz UINPSFKSACSIBR-CYBMUJFWSA-N 1 0 343.449 2.158 10 5 EEBERO C[C@@H]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[NH2+]1 ZINC000599932899 468416087 /nfs/dbraw/zinc/41/60/87/468416087.db2.gz DMMXLYBJFZUZFJ-TZMCWYRMSA-N 1 0 332.404 2.409 10 5 EEBERO CC[NH+]1CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094626 468441950 /nfs/dbraw/zinc/44/19/50/468441950.db2.gz OZTNQKVLQZTBOX-UHFFFAOYSA-N 1 0 341.799 2.436 10 5 EEBERO Nc1c(NC(=O)NCC[NH+]2CCCCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095486 468442110 /nfs/dbraw/zinc/44/21/10/468442110.db2.gz XAMXQAWNASTBNS-UHFFFAOYSA-N 1 0 341.799 2.438 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000299213242 465650316 /nfs/dbraw/zinc/65/03/16/465650316.db2.gz HSUIZLHUBIPKSZ-UHFFFAOYSA-N 1 0 341.795 2.043 10 5 EEBERO Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000371232615 465658908 /nfs/dbraw/zinc/65/89/08/465658908.db2.gz TWLJXVWOJFJBBJ-OCCSQVGLSA-N 1 0 332.404 2.090 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCC[NH+]1CCCCC1 ZINC000362432605 465734209 /nfs/dbraw/zinc/73/42/09/465734209.db2.gz ANCZHPGOZREYAQ-UHFFFAOYSA-N 1 0 341.358 2.408 10 5 EEBERO COc1ccc(OCC[N@@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362449177 465748290 /nfs/dbraw/zinc/74/82/90/465748290.db2.gz HDZPLZDMBAGZDZ-UKRRQHHQSA-N 1 0 336.388 2.483 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2OC)[C@@H](C)C1 ZINC000331057540 465914868 /nfs/dbraw/zinc/91/48/68/465914868.db2.gz LZKGPNGPAQZJDO-GXTWGEPZSA-N 1 0 335.404 2.406 10 5 EEBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000362705777 465957702 /nfs/dbraw/zinc/95/77/02/465957702.db2.gz ZKSLJGNXOXVXBS-CYBMUJFWSA-N 1 0 343.387 2.055 10 5 EEBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[NH+](C)C ZINC000353820133 466174219 /nfs/dbraw/zinc/17/42/19/466174219.db2.gz XSYYFLYKRJYFHD-LLVKDONJSA-N 1 0 343.811 2.474 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000372255370 466251636 /nfs/dbraw/zinc/25/16/36/466251636.db2.gz QAZJEUUUBKJNQA-MRXNPFEDSA-N 1 0 349.387 2.043 10 5 EEBERO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347018721 466325781 /nfs/dbraw/zinc/32/57/81/466325781.db2.gz WMNJPFJDUQHZKI-INIZCTEOSA-N 1 0 342.399 2.245 10 5 EEBERO COC(=O)[C@]1(OC)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000600191231 468490803 /nfs/dbraw/zinc/49/08/03/468490803.db2.gz KOHVQXSSYGSHSN-GQPJMJRUSA-N 1 0 334.372 2.262 10 5 EEBERO CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccn4c[nH+]cc4c3)no2)n1 ZINC000347176284 466452463 /nfs/dbraw/zinc/45/24/63/466452463.db2.gz LKTFHNQXTRMWEX-UHFFFAOYSA-N 1 0 325.288 2.176 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000341074251 466561812 /nfs/dbraw/zinc/56/18/12/466561812.db2.gz WQICWTBLTDWNHJ-ZIAGYGMSSA-N 1 0 335.404 2.353 10 5 EEBERO COc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000324370333 466646608 /nfs/dbraw/zinc/64/66/08/466646608.db2.gz KOCKYCNLQBCUFM-KBPBESRZSA-N 1 0 333.388 2.208 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417721585 466917250 /nfs/dbraw/zinc/91/72/50/466917250.db2.gz UBYFXDPPMUQCAY-ZFWWWQNUSA-N 1 0 349.435 2.002 10 5 EEBERO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000423978883 466934868 /nfs/dbraw/zinc/93/48/68/466934868.db2.gz XEWBKIPDDFTJMQ-UHFFFAOYSA-N 1 0 347.400 2.353 10 5 EEBERO CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000412196725 467037073 /nfs/dbraw/zinc/03/70/73/467037073.db2.gz URFMNXKJPAVSIO-YESZJQIVSA-N 1 0 329.400 2.393 10 5 EEBERO CCCN(CC[NH+](CC)CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427386809 467154818 /nfs/dbraw/zinc/15/48/18/467154818.db2.gz KVZOOKUKSJWRMY-UHFFFAOYSA-N 1 0 325.413 2.005 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000378224511 467234537 /nfs/dbraw/zinc/23/45/37/467234537.db2.gz KAMXBGMBGHLGQZ-DOMZBBRYSA-N 1 0 333.388 2.208 10 5 EEBERO COC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000452109957 467325758 /nfs/dbraw/zinc/32/57/58/467325758.db2.gz XRJUCCWSZGZWGB-HUUCEWRRSA-N 1 0 338.404 2.083 10 5 EEBERO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000415051540 467476709 /nfs/dbraw/zinc/47/67/09/467476709.db2.gz GCOREAANUPWZIS-FZKQIMNGSA-N 1 0 343.431 2.412 10 5 EEBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000408098909 467508722 /nfs/dbraw/zinc/50/87/22/467508722.db2.gz IBSXEHKBYQUUOB-MJBXVCDLSA-N 1 0 344.419 2.479 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000449357533 467633100 /nfs/dbraw/zinc/63/31/00/467633100.db2.gz AXCLKJLRFMUAND-WYTCUBLDSA-N 1 0 331.416 2.403 10 5 EEBERO C[N@H+](CCCCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000457167435 467770027 /nfs/dbraw/zinc/77/00/27/467770027.db2.gz MBBBBDBEAPLWBL-UHFFFAOYSA-N 1 0 341.358 2.406 10 5 EEBERO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000532378953 468115392 /nfs/dbraw/zinc/11/53/92/468115392.db2.gz RWAXHQXVXRLTIP-CYBMUJFWSA-N 1 0 338.408 2.235 10 5 EEBERO O=C1[C@H](N2CC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549082476 468169294 /nfs/dbraw/zinc/16/92/94/468169294.db2.gz SBXJQVMNUVCVBZ-QWHCGFSZSA-N 1 0 341.314 2.014 10 5 EEBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594257454 468531653 /nfs/dbraw/zinc/53/16/53/468531653.db2.gz BLEYBRKRWPOKHJ-OTVXOJSOSA-N 1 0 334.420 2.119 10 5 EEBERO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600474497 468568790 /nfs/dbraw/zinc/56/87/90/468568790.db2.gz XGUQTEQVENUZGH-CQSZACIVSA-N 1 0 333.388 2.350 10 5 EEBERO CC(C)(NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000594525983 468616169 /nfs/dbraw/zinc/61/61/69/468616169.db2.gz ZJUPXVIURGOLPJ-SNVBAGLBSA-N 1 0 334.298 2.019 10 5 EEBERO [NH3+]C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000600677504 468618660 /nfs/dbraw/zinc/61/86/60/468618660.db2.gz FQCKCKSDISERDM-UHFFFAOYSA-N 1 0 331.372 2.452 10 5 EEBERO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178270 468646974 /nfs/dbraw/zinc/64/69/74/468646974.db2.gz SBOAMHMHVRPJHV-KRWDZBQOSA-N 1 0 347.415 2.476 10 5 EEBERO C[C@@H]1C[NH+](CCCCNc2ncc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000601127486 468753087 /nfs/dbraw/zinc/75/30/87/468753087.db2.gz HMOYNKDENTZXDQ-VXGBXAGGSA-N 1 0 326.372 2.430 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000601131421 468754999 /nfs/dbraw/zinc/75/49/99/468754999.db2.gz KBEOZMAISLEHBL-AWEZNQCLSA-N 1 0 338.383 2.210 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601144314 468758856 /nfs/dbraw/zinc/75/88/56/468758856.db2.gz SHARUKJYEKUZFG-LBPRGKRZSA-N 1 0 329.282 2.388 10 5 EEBERO CCCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000592829702 468798582 /nfs/dbraw/zinc/79/85/82/468798582.db2.gz VTBLNCPINSMPTL-LLVKDONJSA-N 1 0 341.358 2.358 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000593022165 468842508 /nfs/dbraw/zinc/84/25/08/468842508.db2.gz CLWDKBKQDBHLAX-DOTOQJQBSA-N 1 0 334.372 2.429 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000593030952 468845393 /nfs/dbraw/zinc/84/53/93/468845393.db2.gz TULDVQHLFDHUJV-YUELXQCFSA-N 1 0 334.372 2.285 10 5 EEBERO CCS(=O)(=O)C[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561784391 468909926 /nfs/dbraw/zinc/90/99/26/468909926.db2.gz ZVOLAGYQKADIIP-LLVKDONJSA-N 1 0 339.417 2.031 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598561454 468914663 /nfs/dbraw/zinc/91/46/63/468914663.db2.gz RASDFOXGIYKONB-AWEZNQCLSA-N 1 0 332.404 2.150 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598716509 468972047 /nfs/dbraw/zinc/97/20/47/468972047.db2.gz KIHGHVPPPVTBLG-UHFFFAOYSA-N 1 0 329.303 2.019 10 5 EEBERO C[C@]12COC[C@@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595760299 468994793 /nfs/dbraw/zinc/99/47/93/468994793.db2.gz SWCRQIKIAWRQDN-LRDDRELGSA-N 1 0 330.344 2.113 10 5 EEBERO COc1cccc([C@]2(C)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000595763480 468995914 /nfs/dbraw/zinc/99/59/14/468995914.db2.gz FFTUZINVTCKAJI-QGZVFWFLSA-N 1 0 330.388 2.464 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1ccnc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000593479011 468998246 /nfs/dbraw/zinc/99/82/46/468998246.db2.gz TYUMPHKVOUNGFG-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000593481649 468999482 /nfs/dbraw/zinc/99/94/82/468999482.db2.gz KTUKLNZPCMYRHT-OKILXGFUSA-N 1 0 328.372 2.418 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595781515 469006498 /nfs/dbraw/zinc/00/64/98/469006498.db2.gz LMWWLJDLSUBDQC-CABCVRRESA-N 1 0 333.388 2.125 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598914041 469048479 /nfs/dbraw/zinc/04/84/79/469048479.db2.gz WDWPZQUUHLGGPF-WQVCFCJDSA-N 1 0 348.403 2.488 10 5 EEBERO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000610733130 469053466 /nfs/dbraw/zinc/05/34/66/469053466.db2.gz CDXOMJDZEYXXMF-QGZVFWFLSA-N 1 0 347.415 2.312 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905587 469075540 /nfs/dbraw/zinc/07/55/40/469075540.db2.gz DTMVBHIVVFECHS-INIZCTEOSA-N 1 0 337.420 2.146 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C2 ZINC000601974481 469121170 /nfs/dbraw/zinc/12/11/70/469121170.db2.gz JNXKMISARICRJJ-HDICACEKSA-N 1 0 346.431 2.245 10 5 EEBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000601972857 469122107 /nfs/dbraw/zinc/12/21/07/469122107.db2.gz GZQPTRFGSBHCMI-CYBMUJFWSA-N 1 0 334.420 2.291 10 5 EEBERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000573635981 469175782 /nfs/dbraw/zinc/17/57/82/469175782.db2.gz BIIYVBWKHPXHHI-RISCZKNCSA-N 1 0 332.360 2.442 10 5 EEBERO Cn1c2cc(NC[C@@H]3CC[N@@H+]3C(C)(C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596309479 469239588 /nfs/dbraw/zinc/23/95/88/469239588.db2.gz SEEVDBRVFJCKIL-NSHDSACASA-N 1 0 347.419 2.070 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639462 469318971 /nfs/dbraw/zinc/31/89/71/469318971.db2.gz DPSYZNFTNVXHRT-IIYDPXPESA-N 1 0 333.388 2.016 10 5 EEBERO C[C@H]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000602550988 469358021 /nfs/dbraw/zinc/35/80/21/469358021.db2.gz ATCVZNYNGPZZSL-GZMMTYOYSA-N 1 0 342.193 2.228 10 5 EEBERO COCC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000755264223 577822661 /nfs/dbraw/zinc/82/26/61/577822661.db2.gz VXQVGUYTFIOTSU-GRNBYLDVSA-N 1 0 347.415 2.225 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177159490 680075364 /nfs/dbraw/zinc/07/53/64/680075364.db2.gz KDTRKAZQCPEFSH-INIZCTEOSA-N 1 0 344.419 2.227 10 5 EEBERO C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1cnnn1C 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C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)(c2ccccc2)CC1 ZINC000870191265 1200543963 /nfs/dbraw/zinc/54/39/63/1200543963.db2.gz QAHOUWGUERZBDW-UHFFFAOYSA-N 1 0 342.399 2.316 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3c(Br)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000866207450 1201464830 /nfs/dbraw/zinc/46/48/30/1201464830.db2.gz IXTPQSWJIRODOU-ONGXEEELSA-N 1 0 341.209 2.283 10 5 EEBERO COCCC1(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC[NH2+]CC1 ZINC000868042701 1201732733 /nfs/dbraw/zinc/73/27/33/1201732733.db2.gz SSWPKWGIPGJDCD-UHFFFAOYSA-N 1 0 335.404 2.100 10 5 EEBERO CC[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000881863943 1201778258 /nfs/dbraw/zinc/77/82/58/1201778258.db2.gz JIKOCSLWMWNHQC-LLVKDONJSA-N 1 0 344.209 2.314 10 5 EEBERO Cc1nc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001274464192 1205048409 /nfs/dbraw/zinc/04/84/09/1205048409.db2.gz KWAWJSRGTDTHJK-ARJAWSKDSA-N 1 0 344.371 2.275 10 5 EEBERO Cc1ncc(CC(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001276047761 1205750722 /nfs/dbraw/zinc/75/07/22/1205750722.db2.gz GIQASLLXJIIILX-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO C[C@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924527862 1205991335 /nfs/dbraw/zinc/99/13/35/1205991335.db2.gz CJUAWNWVHDXVQK-OCCSQVGLSA-N 1 0 346.387 2.062 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C)([NH+](C)C)CC1 ZINC000931352847 1206625757 /nfs/dbraw/zinc/62/57/57/1206625757.db2.gz ICYMYZCWWJJAHK-UHFFFAOYSA-N 1 0 334.420 2.258 10 5 EEBERO C[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000850519012 1277257961 /nfs/dbraw/zinc/25/79/61/1277257961.db2.gz GTRXSWIJMSTFFU-VIFPVBQESA-N 1 0 340.323 2.223 10 5 EEBERO C[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000850519009 1277258086 /nfs/dbraw/zinc/25/80/86/1277258086.db2.gz GTRXSWIJMSTFFU-SECBINFHSA-N 1 0 340.323 2.223 10 5 EEBERO Cc1ccc(-c2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000854137213 1292641520 /nfs/dbraw/zinc/64/15/20/1292641520.db2.gz 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C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001348309995 1337548484 /nfs/dbraw/zinc/54/84/84/1337548484.db2.gz GLCOERWQIBLUEE-IAOVAPTHSA-N 1 0 344.415 2.003 10 5 EEBERO CC[N@@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC001350439763 1337712472 /nfs/dbraw/zinc/71/24/72/1337712472.db2.gz BTUUFLOMNQWZRV-NSHDSACASA-N 1 0 334.376 2.070 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000848025599 1338456052 /nfs/dbraw/zinc/45/60/52/1338456052.db2.gz XOEBBVUGZKQAMN-GRNBYLDVSA-N 1 0 349.431 2.207 10 5 EEBERO Cc1noc(C[C@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001620623305 1344576329 /nfs/dbraw/zinc/57/63/29/1344576329.db2.gz RSQXCQPKGUCJNR-CJNGLKHVSA-N 1 0 346.387 2.274 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001608182320 1351642589 /nfs/dbraw/zinc/64/25/89/1351642589.db2.gz JVLFOZXEYBCFIU-MRVPVSSYSA-N 1 0 344.774 2.136 10 5 EEBERO C[NH+]1CCC(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001624419795 1352420667 /nfs/dbraw/zinc/42/06/67/1352420667.db2.gz RLFWSNDXJLYSBM-UHFFFAOYSA-N 1 0 328.372 2.154 10 5 EEBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001648020289 1353413622 /nfs/dbraw/zinc/41/36/22/1353413622.db2.gz XFHYVLXECRTAIT-CALCHBBNSA-N 1 0 335.379 2.456 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccnn2C)c([N+](=O)[O-])c1 ZINC001654568394 1354152196 /nfs/dbraw/zinc/15/21/96/1354152196.db2.gz PXIGIWROEAEGPK-LLVKDONJSA-N 1 0 347.375 2.016 10 5 EEBERO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001655611166 1354179852 /nfs/dbraw/zinc/17/98/52/1354179852.db2.gz YLAUBMIGNALOKR-JSGCOSHPSA-N 1 0 339.348 2.034 10 5 EEBERO CCCN(C(=O)COC)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001661078973 1354587152 /nfs/dbraw/zinc/58/71/52/1354587152.db2.gz SPJUKXQZBRHTPA-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO COc1ccccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001664324586 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EEBERO C[NH+]1CCC(Oc2ccc(CNc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000343138397 161107352 /nfs/dbraw/zinc/10/73/52/161107352.db2.gz HJZBJKPGVQQBBA-UHFFFAOYSA-N 1 0 342.399 2.497 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000359043668 164044607 /nfs/dbraw/zinc/04/46/07/164044607.db2.gz WMCOTYLBOZNTKF-SNVBAGLBSA-N 1 0 343.330 2.268 10 5 EEBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000365439820 165485096 /nfs/dbraw/zinc/48/50/96/165485096.db2.gz SEMOCTZIDVOZRL-UHFFFAOYSA-N 1 0 346.431 2.453 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCOC1(C)C ZINC000295218689 293650838 /nfs/dbraw/zinc/65/08/38/293650838.db2.gz MXNLRQDEAKHHHO-AWEZNQCLSA-N 1 0 337.376 2.089 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408025124 300314093 /nfs/dbraw/zinc/31/40/93/300314093.db2.gz OFRMECRMXGWHHR-NWDGAFQWSA-N 1 0 328.372 2.385 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000160483601 311354757 /nfs/dbraw/zinc/35/47/57/311354757.db2.gz PXADVHXGUONOBP-OAHLLOKOSA-N 1 0 335.404 2.210 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413171501 312809687 /nfs/dbraw/zinc/80/96/87/312809687.db2.gz QFKHWKDTCQGSGM-CQSZACIVSA-N 1 0 330.388 2.036 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000439070780 315066171 /nfs/dbraw/zinc/06/61/71/315066171.db2.gz WTMGACVPHXRBJW-ZDUSSCGKSA-N 1 0 338.408 2.118 10 5 EEBERO CCc1n[nH]c(C(=O)N2CCC(C[NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC000439793087 315096501 /nfs/dbraw/zinc/09/65/01/315096501.db2.gz JWGSIVFTAHSWKX-UHFFFAOYSA-N 1 0 337.424 2.074 10 5 EEBERO COc1ccc(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000525207110 317045886 /nfs/dbraw/zinc/04/58/86/317045886.db2.gz KMDUMPHUWCJEFV-GOOCMWNKSA-N 1 0 347.415 2.277 10 5 EEBERO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000574837243 320061958 /nfs/dbraw/zinc/06/19/58/320061958.db2.gz TYJAMJPKKMJDAD-HNNXBMFYSA-N 1 0 332.335 2.162 10 5 EEBERO O=C(CC[NH2+]CC1(CO)CC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000575046400 320082369 /nfs/dbraw/zinc/08/23/69/320082369.db2.gz OHMFHPNOEUJEAN-UHFFFAOYSA-N 1 0 347.415 2.456 10 5 EEBERO C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000576956038 320219801 /nfs/dbraw/zinc/21/98/01/320219801.db2.gz VMBZHRNYHOKCKX-LLVKDONJSA-N 1 0 325.796 2.249 10 5 EEBERO COc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000358476014 465147579 /nfs/dbraw/zinc/14/75/79/465147579.db2.gz IOJJTMIEYNQQRV-UHFFFAOYSA-N 1 0 334.376 2.377 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000113226422 462578512 /nfs/dbraw/zinc/57/85/12/462578512.db2.gz WWPCEDJJKSXYSX-UONOGXRCSA-N 1 0 332.404 2.092 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000026333644 463158917 /nfs/dbraw/zinc/15/89/17/463158917.db2.gz AEYKIPAMTCXZPA-UHFFFAOYSA-N 1 0 333.388 2.025 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079855311 463253932 /nfs/dbraw/zinc/25/39/32/463253932.db2.gz NKGBWOZCSNQDKF-SNVBAGLBSA-N 1 0 342.193 2.181 10 5 EEBERO C[C@H](CSC(C)(C)C)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123448075 463342399 /nfs/dbraw/zinc/34/23/99/463342399.db2.gz NROZEUHEKJURGE-BYCMXARLSA-N 1 0 342.461 2.499 10 5 EEBERO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000080716357 463350028 /nfs/dbraw/zinc/35/00/28/463350028.db2.gz NUWJYXXHWCTDBN-AGUYFDCRSA-N 1 0 333.388 2.349 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000080717877 463351134 /nfs/dbraw/zinc/35/11/34/463351134.db2.gz HVOMLECDSKEOSD-YHWZYXNKSA-N 1 0 333.388 2.349 10 5 EEBERO COC(=O)c1cc(N(C)C[C@H]2CCC[N@H+](C)C2)cc(C)c1[N+](=O)[O-] ZINC000268465070 463754098 /nfs/dbraw/zinc/75/40/98/463754098.db2.gz FZVLPIFVZWFSLK-ZDUSSCGKSA-N 1 0 335.404 2.468 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172348223 464059891 /nfs/dbraw/zinc/05/98/91/464059891.db2.gz OFJYPHDRMMYUQG-ZDUSSCGKSA-N 1 0 332.404 2.092 10 5 EEBERO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000195509680 464060637 /nfs/dbraw/zinc/06/06/37/464060637.db2.gz NRZZZXNHDGKCNF-UHFFFAOYSA-N 1 0 344.415 2.206 10 5 EEBERO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000180839804 464405521 /nfs/dbraw/zinc/40/55/21/464405521.db2.gz NLSRCDDKAKKVBH-LBPRGKRZSA-N 1 0 347.371 2.125 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000245433520 464480369 /nfs/dbraw/zinc/48/03/69/464480369.db2.gz PGRTUXBWXCZXAG-HOCLYGCPSA-N 1 0 346.431 2.400 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445619 464482858 /nfs/dbraw/zinc/48/28/58/464482858.db2.gz ZBBOOGRVMUBALU-WMLDXEAASA-N 1 0 348.447 2.220 10 5 EEBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000599917203 468413462 /nfs/dbraw/zinc/41/34/62/468413462.db2.gz HCQKSABEOKHNQV-QPUJVOFHSA-N 1 0 346.309 2.163 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000247390753 464673412 /nfs/dbraw/zinc/67/34/12/464673412.db2.gz QKQFMPVWAAWUKJ-UKRRQHHQSA-N 1 0 334.420 2.465 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272618809 464680034 /nfs/dbraw/zinc/68/00/34/464680034.db2.gz XXHZDBUFOWVYPX-LLVKDONJSA-N 1 0 327.331 2.145 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276533473 464968902 /nfs/dbraw/zinc/96/89/02/464968902.db2.gz CELQPHQOLNHWJA-AWEZNQCLSA-N 1 0 330.388 2.036 10 5 EEBERO COC(=O)c1cc(C)nc(NCCc2ccncc2C)c1[N+](=O)[O-] ZINC000286628763 464984814 /nfs/dbraw/zinc/98/48/14/464984814.db2.gz WKMJWDJZLZZLOA-UHFFFAOYSA-N 1 0 330.344 2.443 10 5 EEBERO C[NH2+]Cc1ccccc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000593914049 468431217 /nfs/dbraw/zinc/43/12/17/468431217.db2.gz FPVFOVMPMPHBOL-UHFFFAOYSA-N 1 0 342.399 2.433 10 5 EEBERO C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000339738382 465478572 /nfs/dbraw/zinc/47/85/72/465478572.db2.gz IGLWZFDFDWYEOG-CABCVRRESA-N 1 0 347.415 2.168 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593919426 468434681 /nfs/dbraw/zinc/43/46/81/468434681.db2.gz QSCFSMZNXBXSQU-KBRIMQKVSA-N 1 0 347.415 2.404 10 5 EEBERO COc1cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000339762235 465496433 /nfs/dbraw/zinc/49/64/33/465496433.db2.gz TYKVJBOSUQTRLJ-SJORKVTESA-N 1 0 336.388 2.013 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000299043220 465573783 /nfs/dbraw/zinc/57/37/83/465573783.db2.gz WIJIWEXXBWKXKP-HNNXBMFYSA-N 1 0 342.399 2.080 10 5 EEBERO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299508953 465780884 /nfs/dbraw/zinc/78/08/84/465780884.db2.gz BBFADOYJXCDVIM-HOTGVXAUSA-N 1 0 328.372 2.433 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1CS(=O)(=O)C1)CCCC2 ZINC000591348144 468455085 /nfs/dbraw/zinc/45/50/85/468455085.db2.gz YIDPYRYETZLXAH-MRXNPFEDSA-N 1 0 338.429 2.387 10 5 EEBERO C[C@@H]1C[N@@H+](C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301743170 466022709 /nfs/dbraw/zinc/02/27/09/466022709.db2.gz MJPTUSWUROZWIE-LLVKDONJSA-N 1 0 340.811 2.333 10 5 EEBERO COC(=O)CC1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000338323443 466026643 /nfs/dbraw/zinc/02/66/43/466026643.db2.gz CCPBOOVVFMUUAI-UHFFFAOYSA-N 1 0 349.387 2.307 10 5 EEBERO C[NH+](C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccccc1 ZINC000301825056 466040754 /nfs/dbraw/zinc/04/07/54/466040754.db2.gz DKWJSUHCCPIXDR-AWEZNQCLSA-N 1 0 340.387 2.222 10 5 EEBERO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000361591883 466125417 /nfs/dbraw/zinc/12/54/17/466125417.db2.gz SLFRFDASKUZUGF-ZDUSSCGKSA-N 1 0 335.360 2.004 10 5 EEBERO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000302380366 466136158 /nfs/dbraw/zinc/13/61/58/466136158.db2.gz GPQHETHQAPEBMG-JTQLQIEISA-N 1 0 333.310 2.116 10 5 EEBERO Cn1cc(C(=O)NCCCC[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353817344 466171517 /nfs/dbraw/zinc/17/15/17/466171517.db2.gz SSAHWGCAGWHPII-UHFFFAOYSA-N 1 0 345.403 2.067 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000594103020 468484819 /nfs/dbraw/zinc/48/48/19/468484819.db2.gz SPIXZJSHTYXPLT-JNSHFYNHSA-N 1 0 330.388 2.006 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000347350062 466585141 /nfs/dbraw/zinc/58/51/41/466585141.db2.gz QRLXFVNJVSOYHX-SJLPKXTDSA-N 1 0 343.383 2.470 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CCC([NH+]4CCCCC4)CC3)nn21 ZINC000408432113 466650259 /nfs/dbraw/zinc/65/02/59/466650259.db2.gz DHLUZGRRSJMKSM-UHFFFAOYSA-N 1 0 330.392 2.092 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[N@@H+](C(C)C)CC2)c1 ZINC000589494604 468156703 /nfs/dbraw/zinc/15/67/03/468156703.db2.gz SLHXNDLUDQNYCV-UHFFFAOYSA-N 1 0 335.404 2.298 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC000590045953 468207284 /nfs/dbraw/zinc/20/72/84/468207284.db2.gz ZDCKLRSTMQPZBC-RNCFNFMXSA-N 1 0 343.305 2.390 10 5 EEBERO Cc1ncn(CCCCc2noc(-c3nn(C)cc3[N+](=O)[O-])n2)c1C ZINC000594533481 468616924 /nfs/dbraw/zinc/61/69/24/468616924.db2.gz BLLGRKSLQMZKHF-UHFFFAOYSA-N 1 0 345.363 2.215 10 5 EEBERO COc1cccc([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000594542893 468617672 /nfs/dbraw/zinc/61/76/72/468617672.db2.gz OFOORCBMSWYIHV-HNNXBMFYSA-N 1 0 336.436 2.287 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000600681821 468619338 /nfs/dbraw/zinc/61/93/38/468619338.db2.gz GOGBGLUSNUJRHR-UHFFFAOYSA-N 1 0 347.415 2.312 10 5 EEBERO COc1c(C)cccc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594576851 468625387 /nfs/dbraw/zinc/62/53/87/468625387.db2.gz BVXPOURZSZNXON-INIZCTEOSA-N 1 0 346.383 2.441 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2(F)CCC2)cc1 ZINC000583377435 468688670 /nfs/dbraw/zinc/68/86/70/468688670.db2.gz XXXXDWBXUAQSMG-UHFFFAOYSA-N 1 0 330.381 2.240 10 5 EEBERO Cc1c(Br)c(N2C[C@@H](C)[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000600960656 468697389 /nfs/dbraw/zinc/69/73/89/468697389.db2.gz CKBYGJWJWMDVEH-APPZFPTMSA-N 1 0 329.198 2.092 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCC1CC[NH+](C)CC1 ZINC000601108037 468743929 /nfs/dbraw/zinc/74/39/29/468743929.db2.gz AVLUZPQEJCKDQV-UHFFFAOYSA-N 1 0 335.330 2.491 10 5 EEBERO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033599 468746689 /nfs/dbraw/zinc/74/66/89/468746689.db2.gz GZRVPXGNAHHAIR-DZGCQCFKSA-N 1 0 337.420 2.365 10 5 EEBERO CC[NH+](CC)CCO[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601124125 468750787 /nfs/dbraw/zinc/75/07/87/468750787.db2.gz NGMUECOKHJCASB-ZDUSSCGKSA-N 1 0 326.372 2.066 10 5 EEBERO O=[N+]([O-])c1ccc2nccc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000601198498 468778357 /nfs/dbraw/zinc/77/83/57/468778357.db2.gz BPHTXNXRJNHGNJ-OAHLLOKOSA-N 1 0 342.399 2.178 10 5 EEBERO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000601229203 468790009 /nfs/dbraw/zinc/79/00/09/468790009.db2.gz ITISGVRLOOFWGW-UHFFFAOYSA-N 1 0 348.403 2.313 10 5 EEBERO O=C(C[C@H]1[NH2+]Cc2ccccc21)NCCc1ccccc1[N+](=O)[O-] ZINC000595249994 468792667 /nfs/dbraw/zinc/79/26/67/468792667.db2.gz OMVHQPKHWLZMIR-MRXNPFEDSA-N 1 0 325.368 2.488 10 5 EEBERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCc1ccccc1[N+](=O)[O-] ZINC000595249992 468792702 /nfs/dbraw/zinc/79/27/02/468792702.db2.gz OMVHQPKHWLZMIR-INIZCTEOSA-N 1 0 325.368 2.488 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CN(c3ccncn3)C1)CCC2 ZINC000601304274 468819323 /nfs/dbraw/zinc/81/93/23/468819323.db2.gz OYVCDGHWRUXAQE-INIZCTEOSA-N 1 0 325.372 2.241 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(CCO)CCCC3)n2)cc1 ZINC000595508785 468882165 /nfs/dbraw/zinc/88/21/65/468882165.db2.gz LHVKMWBDIYBNLE-UHFFFAOYSA-N 1 0 332.360 2.430 10 5 EEBERO CC[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000598531633 468902898 /nfs/dbraw/zinc/90/28/98/468902898.db2.gz NFYQMAUHYANPBY-WDEREUQCSA-N 1 0 344.371 2.061 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)c1 ZINC000595680349 468953010 /nfs/dbraw/zinc/95/30/10/468953010.db2.gz ZROFORQBLOVUFS-DOMZBBRYSA-N 1 0 336.388 2.364 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598716532 468972486 /nfs/dbraw/zinc/97/24/86/468972486.db2.gz LWLYUABDJHMSOC-UHFFFAOYSA-N 1 0 342.193 2.180 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000593467632 468992764 /nfs/dbraw/zinc/99/27/64/468992764.db2.gz MLZGHXGLNJRNOE-AWEZNQCLSA-N 1 0 342.399 2.302 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000601790862 469027830 /nfs/dbraw/zinc/02/78/30/469027830.db2.gz FCHDPKWGJHXVJG-UHFFFAOYSA-N 1 0 338.383 2.263 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4COC[C@H]4C3)n2)cc1 ZINC000595836577 469033929 /nfs/dbraw/zinc/03/39/29/469033929.db2.gz WSCFHEQRUOVPEI-QWHCGFSZSA-N 1 0 330.344 2.113 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572991982 469038167 /nfs/dbraw/zinc/03/81/67/469038167.db2.gz KNJUQOKDCWOTSQ-KRWDZBQOSA-N 1 0 333.388 2.209 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000598914110 469048025 /nfs/dbraw/zinc/04/80/25/469048025.db2.gz YIFLYBQMKWERGR-UHOFOFEASA-N 1 0 348.403 2.488 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1(CO)CCC1 ZINC000593691335 469097273 /nfs/dbraw/zinc/09/72/73/469097273.db2.gz BLZBHKAHAIECHO-CYBMUJFWSA-N 1 0 335.404 2.454 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595961044 469098277 /nfs/dbraw/zinc/09/82/77/469098277.db2.gz IIGFKFKXFIEOCS-HNNXBMFYSA-N 1 0 346.431 2.245 10 5 EEBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180003 469184103 /nfs/dbraw/zinc/18/41/03/469184103.db2.gz PNDDFQJUUBDZFU-JTQLQIEISA-N 1 0 341.314 2.480 10 5 EEBERO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000611335591 469230579 /nfs/dbraw/zinc/23/05/79/469230579.db2.gz TYQMLEWSZWMRNR-OAHLLOKOSA-N 1 0 341.433 2.061 10 5 EEBERO Cc1cc(N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596464161 469275412 /nfs/dbraw/zinc/27/54/12/469275412.db2.gz GZXCETKOEDLBLX-NEPJUHHUSA-N 1 0 349.412 2.251 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552618 469291399 /nfs/dbraw/zinc/29/13/99/469291399.db2.gz GFHVDYJRRUZJST-MCIONIFRSA-N 1 0 338.429 2.304 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000611616857 469293312 /nfs/dbraw/zinc/29/33/12/469293312.db2.gz RMBOLTNMLIIFPQ-UHFFFAOYSA-N 1 0 334.420 2.155 10 5 EEBERO CCOc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596537152 469296482 /nfs/dbraw/zinc/29/64/82/469296482.db2.gz BHXXMYSOYJPSJR-OAHLLOKOSA-N 1 0 335.404 2.029 10 5 EEBERO O=[N+]([O-])c1ccc2ccnc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000596537560 469296861 /nfs/dbraw/zinc/29/68/61/469296861.db2.gz HPMWPIOUTAPHTJ-INIZCTEOSA-N 1 0 342.399 2.178 10 5 EEBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000599605152 469306927 /nfs/dbraw/zinc/30/69/27/469306927.db2.gz UMUAMLAJLWTMAO-OIBJUYFYSA-N 1 0 332.282 2.486 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@]4(CO)C3)n2)cc1 ZINC000599638979 469319245 /nfs/dbraw/zinc/31/92/45/469319245.db2.gz VGBJBFFHWXJWSV-SUMWQHHRSA-N 1 0 344.371 2.239 10 5 EEBERO COc1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000608901543 469884550 /nfs/dbraw/zinc/88/45/50/469884550.db2.gz ZUNCCJYZVGAUFX-UHFFFAOYSA-N 1 0 339.311 2.436 10 5 EEBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451258912 535956044 /nfs/dbraw/zinc/95/60/44/535956044.db2.gz XAWUCTIPOXGXGX-TZMCWYRMSA-N 1 0 332.360 2.238 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)OCCCO1 ZINC000754124003 577800827 /nfs/dbraw/zinc/80/08/27/577800827.db2.gz RXYMHYBHOZIEME-LBPRGKRZSA-N 1 0 337.376 2.055 10 5 EEBERO CC[NH+](CC)CCCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000925275314 690573922 /nfs/dbraw/zinc/57/39/22/690573922.db2.gz IIEGZMMTNRBFNJ-QGZVFWFLSA-N 1 0 348.403 2.094 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897634360 691715828 /nfs/dbraw/zinc/71/58/28/691715828.db2.gz IERNEQVHQISESR-AWEZNQCLSA-N 1 0 337.420 2.034 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898833441 693474720 /nfs/dbraw/zinc/47/47/20/693474720.db2.gz SSTYNJNBLCUPSJ-CABCVRRESA-N 1 0 333.388 2.206 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(F)ccc1C ZINC001266560780 1176846766 /nfs/dbraw/zinc/84/67/66/1176846766.db2.gz WTVWIQBTHGPSIC-HZPDHXFCSA-N 1 0 337.395 2.128 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccco1 ZINC001266629563 1177025338 /nfs/dbraw/zinc/02/53/38/1177025338.db2.gz JNSCXHYFTFOXAC-FPLPWBNLSA-N 1 0 329.356 2.449 10 5 EEBERO CC(C)SCC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001493480648 1177464421 /nfs/dbraw/zinc/46/44/21/1177464421.db2.gz AGKWRKUWRHNBTH-UHFFFAOYSA-N 1 0 331.463 2.346 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)c1ncc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267256847 1178624590 /nfs/dbraw/zinc/62/45/90/1178624590.db2.gz FKSHDFUKOZPSKE-UHFFFAOYSA-N 1 0 345.403 2.348 10 5 EEBERO COCCCC(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001270206975 1184920875 /nfs/dbraw/zinc/92/08/75/1184920875.db2.gz AOMNIUCAQHZOMS-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO CCC(CC)[NH2+]CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001670929744 1193528703 /nfs/dbraw/zinc/52/87/03/1193528703.db2.gz PCLMRUZMUQSAQS-UHFFFAOYSA-N 1 0 338.408 2.181 10 5 EEBERO Cc1ccn(C)c1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001483729558 1190833660 /nfs/dbraw/zinc/83/36/60/1190833660.db2.gz YRQFPLMUEFYFRA-UHFFFAOYSA-N 1 0 342.399 2.294 10 5 EEBERO CCc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001485250339 1191703935 /nfs/dbraw/zinc/70/39/35/1191703935.db2.gz BDOKTYPNWHZJLQ-IAGOWNOFSA-N 1 0 347.459 2.488 10 5 EEBERO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000863907604 1197916238 /nfs/dbraw/zinc/91/62/38/1197916238.db2.gz HIAIOPQSDJJCOH-GOSISDBHSA-N 1 0 345.399 2.181 10 5 EEBERO [NH3+]C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872147462 1198055817 /nfs/dbraw/zinc/05/58/17/1198055817.db2.gz BGICDRHDXZJFNP-ZWNOBZJWSA-N 1 0 333.310 2.043 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000872217435 1198091928 /nfs/dbraw/zinc/09/19/28/1198091928.db2.gz WIUSZPIRKKCJDQ-OCCSQVGLSA-N 1 0 326.418 2.067 10 5 EEBERO COc1cc(OCC(=O)O[C@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000870571213 1200748656 /nfs/dbraw/zinc/74/86/56/1200748656.db2.gz XEOJDFJDLLCOSO-OAHLLOKOSA-N 1 0 340.376 2.112 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000866447354 1201519912 /nfs/dbraw/zinc/51/99/12/1201519912.db2.gz IFTWSZNKJCJDBJ-VTDIYHRSSA-N 1 0 345.399 2.325 10 5 EEBERO C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867943243 1201710850 /nfs/dbraw/zinc/71/08/50/1201710850.db2.gz QBNFJEYOXYXVLJ-JFIYKMOQSA-N 1 0 325.368 2.441 10 5 EEBERO CN(CCC[NH2+]Cc1cccc2ccccc21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276002773 1205628997 /nfs/dbraw/zinc/62/89/97/1205628997.db2.gz YHGRUAUKLFIXHK-QZTJIDSGSA-N 1 0 341.411 2.443 10 5 EEBERO C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000928083963 1206337085 /nfs/dbraw/zinc/33/70/85/1206337085.db2.gz BVCMFJYTZXYKMN-APHBMKBZSA-N 1 0 349.456 2.394 10 5 EEBERO C[C@H]1CN(C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000930439516 1206557904 /nfs/dbraw/zinc/55/79/04/1206557904.db2.gz ISROMBQHOOVAKI-AWEZNQCLSA-N 1 0 349.431 2.095 10 5 EEBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900646058 1234605130 /nfs/dbraw/zinc/60/51/30/1234605130.db2.gz HLGWNATWNMFPSP-XJKSGUPXSA-N 1 0 333.388 2.107 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H](O)C34CCC4)CC2)cc1 ZINC000850546668 1277261984 /nfs/dbraw/zinc/26/19/84/1277261984.db2.gz NXMZHBCCTNRCEA-IAGOWNOFSA-N 1 0 331.416 2.457 10 5 EEBERO Cc1cc(N2CC([NH2+][C@H]3CCOC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001187739814 1279634351 /nfs/dbraw/zinc/63/43/51/1279634351.db2.gz KLLDGFSENMKEOZ-JTQLQIEISA-N 1 0 345.321 2.489 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC001273899792 1289703560 /nfs/dbraw/zinc/70/35/60/1289703560.db2.gz GDPJVTBWQMTRMI-OWOJBTEDSA-N 1 0 332.385 2.127 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000858823589 1294237325 /nfs/dbraw/zinc/23/73/25/1294237325.db2.gz ZCCSOLYZXQYVAU-UHFFFAOYSA-N 1 0 334.420 2.258 10 5 EEBERO CCc1ccc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861347242 1295351205 /nfs/dbraw/zinc/35/12/05/1295351205.db2.gz OASHCPAJQMAWDF-YOEHRIQHSA-N 1 0 336.388 2.423 10 5 EEBERO Cc1nn(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000840190393 1315323665 /nfs/dbraw/zinc/32/36/65/1315323665.db2.gz UQJQPLZQHYKNMA-CYBMUJFWSA-N 1 0 345.403 2.199 10 5 EEBERO C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC001163924915 1321248695 /nfs/dbraw/zinc/24/86/95/1321248695.db2.gz NEPJEDQKCYWQJO-HNNXBMFYSA-N 1 0 335.404 2.162 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC([NH2+]C2CCOCC2)C1 ZINC001164130659 1321298122 /nfs/dbraw/zinc/29/81/22/1321298122.db2.gz AAGTYYPVPKGQNR-UHFFFAOYSA-N 1 0 328.372 2.100 10 5 EEBERO CCC(=O)N1CCC(OCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001282573578 1325743545 /nfs/dbraw/zinc/74/35/45/1325743545.db2.gz OTQJKPNRTUKNBN-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)[nH]1 ZINC001317632762 1332338754 /nfs/dbraw/zinc/33/87/54/1332338754.db2.gz LIKKQKCTPXHWFB-UHFFFAOYSA-N 1 0 336.779 2.438 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)ncn1 ZINC001322471223 1333268198 /nfs/dbraw/zinc/26/81/98/1333268198.db2.gz NINBMYISLAULIF-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO COC(=O)[C@H]1[C@@H](C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC001332704190 1335887224 /nfs/dbraw/zinc/88/72/24/1335887224.db2.gz DMFAENTYTTXBOQ-VXGBXAGGSA-N 1 0 328.315 2.474 10 5 EEBERO CC(C)(NCc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001333175140 1335976092 /nfs/dbraw/zinc/97/60/92/1335976092.db2.gz CQPIWEMOFOUEFJ-OAHLLOKOSA-N 1 0 344.419 2.136 10 5 EEBERO C[C@]12COC[C@H]1C[N@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C2 ZINC001333720852 1336114832 /nfs/dbraw/zinc/11/48/32/1336114832.db2.gz CWXPUCLVLWARTA-WBVHZDCISA-N 1 0 328.372 2.384 10 5 EEBERO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001617487367 1352341976 /nfs/dbraw/zinc/34/19/76/1352341976.db2.gz NZHZZTCMBDXFMJ-HNNXBMFYSA-N 1 0 335.404 2.162 10 5 EEBERO C[NH+](C)CCc1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001567761045 1342833873 /nfs/dbraw/zinc/83/38/73/1342833873.db2.gz XXZORKQFNLPZBC-UHFFFAOYSA-N 1 0 337.767 2.328 10 5 EEBERO C[C@H](CC[NH+](C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001597746758 1349930912 /nfs/dbraw/zinc/93/09/12/1349930912.db2.gz IFYLFGADENBKJF-LLVKDONJSA-N 1 0 327.812 2.495 10 5 EEBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001648020291 1353413762 /nfs/dbraw/zinc/41/37/62/1353413762.db2.gz XFHYVLXECRTAIT-IRXDYDNUSA-N 1 0 335.379 2.456 10 5 EEBERO COCCC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC001651580488 1354057566 /nfs/dbraw/zinc/05/75/66/1354057566.db2.gz MOGIWVAXVHAKFP-UHFFFAOYSA-N 1 0 339.392 2.070 10 5 EEBERO O=[N+]([O-])c1ccc(F)cc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001654774815 1354158060 /nfs/dbraw/zinc/15/80/60/1354158060.db2.gz QDCSAHHHSLZWNQ-UHFFFAOYSA-N 1 0 337.395 2.467 10 5 EEBERO C[C@H]([NH2+]CCCNCc1cccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817939192 785086547 /nfs/dbraw/zinc/08/65/47/785086547.db2.gz AEYUUKAWDNIYSY-ZDUSSCGKSA-N 1 0 329.404 2.403 10 5 EEBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819106949 785405449 /nfs/dbraw/zinc/40/54/49/785405449.db2.gz RREFOPQNLWFPBG-DIFFPNOSSA-N 1 0 332.404 2.199 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C1CC[NH+](C2CC2)CC1 ZINC000911474046 787467802 /nfs/dbraw/zinc/46/78/02/787467802.db2.gz ISXLFNLSSCAMJS-UHFFFAOYSA-N 1 0 339.342 2.364 10 5 EEBERO CC(C)C[NH+]1CCC(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001136668952 787557365 /nfs/dbraw/zinc/55/73/65/787557365.db2.gz KAFRAJJQRFFCPR-UHFFFAOYSA-N 1 0 349.431 2.458 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCN2CCO)cc1Cl ZINC000824582875 788245929 /nfs/dbraw/zinc/24/59/29/788245929.db2.gz CUPAJELFGNSXTP-CYBMUJFWSA-N 1 0 327.812 2.185 10 5 EEBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913273061 788748031 /nfs/dbraw/zinc/74/80/31/788748031.db2.gz CKDQNLZVWPGDFU-CALCHBBNSA-N 1 0 335.379 2.456 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001143802657 788877310 /nfs/dbraw/zinc/87/73/10/788877310.db2.gz FUNNZZXVFCAPCV-OCAPTIKFSA-N 1 0 344.774 2.040 10 5 EEBERO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)C1 ZINC000913659258 794039720 /nfs/dbraw/zinc/03/97/20/794039720.db2.gz GPSJNHSXLIWXEO-KDOFPFPSSA-N 1 0 349.431 2.041 10 5 EEBERO C[C@](CO)([NH2+]Cc1ccc2nonc2c1)c1cccc([N+](=O)[O-])c1 ZINC001175322739 798075909 /nfs/dbraw/zinc/07/59/09/798075909.db2.gz DQNDBPZNTXDNTJ-MRXNPFEDSA-N 1 0 328.328 2.128 10 5 EEBERO CC[N@@H+]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC001178860565 799680912 /nfs/dbraw/zinc/68/09/12/799680912.db2.gz FOICJYFPFJRUPS-HNNXBMFYSA-N 1 0 335.404 2.210 10 5 EEBERO Cc1nn(CCC(=O)Nc2ccc3c[nH+]cn3c2)c(C)c1[N+](=O)[O-] ZINC001179303678 799855323 /nfs/dbraw/zinc/85/53/23/799855323.db2.gz GZIIYGFAMFCUNM-UHFFFAOYSA-N 1 0 328.332 2.085 10 5 EEBERO Cc1nn(C[N@@H+]2CC[C@]3(C2)CCCOC3)c2ncc([N+](=O)[O-])cc12 ZINC000789543708 808053819 /nfs/dbraw/zinc/05/38/19/808053819.db2.gz XCFGQJSJKDHYBB-INIZCTEOSA-N 1 0 331.376 2.108 10 5 EEBERO CC(=O)CCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001480191819 1099793256 /nfs/dbraw/zinc/79/32/56/1099793256.db2.gz RAIWIMBPRBMTFK-GASCZTMLSA-N 1 0 333.388 2.091 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001495412666 1101132665 /nfs/dbraw/zinc/13/26/65/1101132665.db2.gz IVICWPODCVKAAT-IAGOWNOFSA-N 1 0 349.475 2.450 10 5 EEBERO CC1(C)CCC(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)CC1 ZINC001493370106 1108004961 /nfs/dbraw/zinc/00/49/61/1108004961.db2.gz DIQZYSPMZYUBQC-HZPDHXFCSA-N 1 0 337.464 2.449 10 5 EEBERO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001458666448 1109928130 /nfs/dbraw/zinc/92/81/30/1109928130.db2.gz KCERHTWSNGUWCF-JTQLQIEISA-N 1 0 348.790 2.364 10 5 EEBERO CCOCCOC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001459307579 1110138986 /nfs/dbraw/zinc/13/89/86/1110138986.db2.gz DLFGDFFXCWLIHW-UHFFFAOYSA-N 1 0 338.404 2.491 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001473764709 1110579956 /nfs/dbraw/zinc/57/99/56/1110579956.db2.gz RAHRZLOGQHNNEV-GFCCVEGCSA-N 1 0 330.392 2.432 10 5 EEBERO CNc1c(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001520068351 1119124675 /nfs/dbraw/zinc/12/46/75/1119124675.db2.gz GIIYMYOQKAQMMF-CYBMUJFWSA-N 1 0 349.387 2.047 10 5 EEBERO CC[NH+](CC)CC[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001529415666 1121433924 /nfs/dbraw/zinc/43/39/24/1121433924.db2.gz RBPOYIOYSHVPIN-GFCCVEGCSA-N 1 0 341.383 2.349 10 5 EEBERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001543664250 1124132848 /nfs/dbraw/zinc/13/28/48/1124132848.db2.gz LTHOSCYMBOUFBL-KXUCPTDWSA-N 1 0 343.815 2.068 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)nc1 ZINC001568828139 1124845253 /nfs/dbraw/zinc/84/52/53/1124845253.db2.gz UXGKJLUSAONSLU-ONEGZZNKSA-N 1 0 344.346 2.205 10 5 EEBERO Cc1nscc1C(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001568838377 1124855880 /nfs/dbraw/zinc/85/58/80/1124855880.db2.gz KBUPDBDWJMOLSR-NSCUHMNNSA-N 1 0 346.412 2.436 10 5 EEBERO CCCNC(=O)[C@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000035011054 213004180 /nfs/dbraw/zinc/00/41/80/213004180.db2.gz HPHNZSZZSSZSNO-VIFPVBQESA-N 1 0 344.209 2.362 10 5 EEBERO CC[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451257960 243052789 /nfs/dbraw/zinc/05/27/89/243052789.db2.gz QTZQQKKCKXPODM-ZFWWWQNUSA-N 1 0 335.404 2.325 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246982485 243347123 /nfs/dbraw/zinc/34/71/23/243347123.db2.gz SJPCSEIDKUVXKD-KBPBESRZSA-N 1 0 334.420 2.256 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183226560 533223736 /nfs/dbraw/zinc/22/37/36/533223736.db2.gz UVHKBRZYQFBGJQ-SMDDNHRTSA-N 1 0 337.376 2.089 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000450549091 292017369 /nfs/dbraw/zinc/01/73/69/292017369.db2.gz VEBSFSNVASMXIT-GFCCVEGCSA-N 1 0 333.388 2.302 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107523410 159332738 /nfs/dbraw/zinc/33/27/38/159332738.db2.gz OOBHQTSGSPMVDY-AWEZNQCLSA-N 1 0 332.404 2.389 10 5 EEBERO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341967254 161028148 /nfs/dbraw/zinc/02/81/48/161028148.db2.gz ZJZOWHIGILOMSA-SNVBAGLBSA-N 1 0 335.451 2.055 10 5 EEBERO CO[C@@H](C)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000343518991 161143152 /nfs/dbraw/zinc/14/31/52/161143152.db2.gz CIRJJIKSHXEOMG-KBPBESRZSA-N 1 0 326.393 2.080 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CO)c1ccsc1 ZINC000352022970 162032803 /nfs/dbraw/zinc/03/28/03/162032803.db2.gz SNAFDJKYXREUEU-AWEZNQCLSA-N 1 0 335.385 2.226 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000279566496 269288916 /nfs/dbraw/zinc/28/89/16/269288916.db2.gz ZBGGXBJFJGDVKD-YGRLFVJLSA-N 1 0 338.383 2.118 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292212129 275394764 /nfs/dbraw/zinc/39/47/64/275394764.db2.gz UDQSEIBGTYODLM-KSSFIOAISA-N 1 0 346.431 2.258 10 5 EEBERO CN1C(=O)CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000424319036 277007155 /nfs/dbraw/zinc/00/71/55/277007155.db2.gz QGALABLNFDHSIR-KGLIPLIRSA-N 1 0 331.372 2.054 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160529346 311355363 /nfs/dbraw/zinc/35/53/63/311355363.db2.gz DLLYKVOWTMJHRX-CQSZACIVSA-N 1 0 335.404 2.454 10 5 EEBERO C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000311814128 311585199 /nfs/dbraw/zinc/58/51/99/311585199.db2.gz PHCFKFZVEIZSBF-PRHODGIISA-N 1 0 329.198 2.173 10 5 EEBERO CCOc1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414753103 313076479 /nfs/dbraw/zinc/07/64/79/313076479.db2.gz DAJZIKYIUAFYKG-ZJUUUORDSA-N 1 0 340.380 2.249 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000421749289 314154847 /nfs/dbraw/zinc/15/48/47/314154847.db2.gz HPRRVSWJASMNGS-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)C1(C)C ZINC000444803972 315326308 /nfs/dbraw/zinc/32/63/08/315326308.db2.gz ONXRUXHMDVQMSM-DOTOQJQBSA-N 1 0 338.404 2.259 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000444905765 315332616 /nfs/dbraw/zinc/33/26/16/315332616.db2.gz SMZCFQJIWBQJSH-UHFFFAOYSA-N 1 0 334.376 2.377 10 5 EEBERO COc1cc(CN2CCC[C@@H](N3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000539811852 318063620 /nfs/dbraw/zinc/06/36/20/318063620.db2.gz HOPCEGWGNVHGKC-CQSZACIVSA-N 1 0 333.388 2.190 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000565087479 319148110 /nfs/dbraw/zinc/14/81/10/319148110.db2.gz PAZVKEVPJHXGPQ-XJKSGUPXSA-N 1 0 340.420 2.241 10 5 EEBERO COc1cnccc1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000187091665 323448973 /nfs/dbraw/zinc/44/89/73/323448973.db2.gz LNDDRFLLFNARHY-JSGCOSHPSA-N 1 0 347.371 2.089 10 5 EEBERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000381395119 323523469 /nfs/dbraw/zinc/52/34/69/323523469.db2.gz TWAFRPVDHRZCPJ-RQJHMYQMSA-N 1 0 335.145 2.347 10 5 EEBERO CC(=O)N1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000583587626 324692877 /nfs/dbraw/zinc/69/28/77/324692877.db2.gz VAFXWZOPEJGPNH-UHFFFAOYSA-N 1 0 330.388 2.219 10 5 EEBERO Cn1cc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2(CO)CCC2)cn1 ZINC000590603788 468284389 /nfs/dbraw/zinc/28/43/89/468284389.db2.gz RMJYQMVFZWKOJQ-INIZCTEOSA-N 1 0 330.388 2.322 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000131407934 462809016 /nfs/dbraw/zinc/80/90/16/462809016.db2.gz GXOOQOCJLMWZHZ-GFCCVEGCSA-N 1 0 348.403 2.458 10 5 EEBERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000155351996 462878447 /nfs/dbraw/zinc/87/84/47/462878447.db2.gz AGIHHTJUGMARTP-QWRGUYRKSA-N 1 0 325.796 2.342 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000156114522 462980618 /nfs/dbraw/zinc/98/06/18/462980618.db2.gz NKYWOUCYHXKZKT-ZDUSSCGKSA-N 1 0 334.376 2.305 10 5 EEBERO CNc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000071792526 463426063 /nfs/dbraw/zinc/42/60/63/463426063.db2.gz QVHBRQKGYLIUEN-UHFFFAOYSA-N 1 0 342.403 2.185 10 5 EEBERO COc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1[N+](=O)[O-] ZINC000105884145 463487553 /nfs/dbraw/zinc/48/75/53/463487553.db2.gz ZOTKSYXFDAPCKH-AWEZNQCLSA-N 1 0 331.376 2.107 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000041913239 463519811 /nfs/dbraw/zinc/51/98/11/463519811.db2.gz LFSBLFOSEHQGQQ-CYBMUJFWSA-N 1 0 345.403 2.241 10 5 EEBERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000112075930 463690065 /nfs/dbraw/zinc/69/00/65/463690065.db2.gz CQBXVXPREOQLJM-CQSZACIVSA-N 1 0 332.404 2.383 10 5 EEBERO C[NH+](C)Cc1cc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1F ZINC000181087926 464443991 /nfs/dbraw/zinc/44/39/91/464443991.db2.gz PVDWAALYVMCGFZ-UHFFFAOYSA-N 1 0 346.362 2.308 10 5 EEBERO O=C(NC1CC1)c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000264950113 464504597 /nfs/dbraw/zinc/50/45/97/464504597.db2.gz VGRMKGYOOWIKOJ-HNNXBMFYSA-N 1 0 344.415 2.162 10 5 EEBERO Cn1nccc1C1=CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000285676211 464654194 /nfs/dbraw/zinc/65/41/94/464654194.db2.gz QSVRCKRWLDNEPM-UHFFFAOYSA-N 1 0 341.371 2.056 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000247404912 464677218 /nfs/dbraw/zinc/67/72/18/464677218.db2.gz PRBYXZUVLLEAPA-CJNGLKHVSA-N 1 0 332.404 2.015 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247546029 464693284 /nfs/dbraw/zinc/69/32/84/464693284.db2.gz YWLXWTAGVHUTMA-UKRRQHHQSA-N 1 0 332.404 2.010 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599933692 468416794 /nfs/dbraw/zinc/41/67/94/468416794.db2.gz IKMJUABZNDCGGY-JKSUJKDBSA-N 1 0 332.404 2.409 10 5 EEBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000183200920 464820910 /nfs/dbraw/zinc/82/09/10/464820910.db2.gz DGEUGTHINCHQEK-NOZJJQNGSA-N 1 0 327.768 2.344 10 5 EEBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1[N+](=O)[O-] ZINC000593919279 468433835 /nfs/dbraw/zinc/43/38/35/468433835.db2.gz PSNCBYMGQCPUKW-USXIJHARSA-N 1 0 347.415 2.404 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000356972763 465669759 /nfs/dbraw/zinc/66/97/59/465669759.db2.gz FUGOUNZYIJUIAN-CQSZACIVSA-N 1 0 347.415 2.449 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000580076714 468463032 /nfs/dbraw/zinc/46/30/32/468463032.db2.gz DWYFCJSXLIDAPR-QGZVFWFLSA-N 1 0 325.368 2.222 10 5 EEBERO Cc1cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000301744446 466022092 /nfs/dbraw/zinc/02/20/92/466022092.db2.gz NFEQLXRULKAUMN-HNNXBMFYSA-N 1 0 334.420 2.379 10 5 EEBERO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)C2 ZINC000597196926 468478214 /nfs/dbraw/zinc/47/82/14/468478214.db2.gz VEYRQYWCOQUIFH-CALCHBBNSA-N 1 0 334.372 2.224 10 5 EEBERO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)O ZINC000303979656 466245007 /nfs/dbraw/zinc/24/50/07/466245007.db2.gz DVLLKTJHLQIDBL-JTQLQIEISA-N 1 0 329.784 2.278 10 5 EEBERO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347016329 466322183 /nfs/dbraw/zinc/32/21/83/466322183.db2.gz NZFJVIQYIHDGKR-AWEZNQCLSA-N 1 0 335.429 2.382 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417175826 466795391 /nfs/dbraw/zinc/79/53/91/466795391.db2.gz JLFLYYCGWYFRJU-NNQSOWQGSA-N 1 0 348.403 2.028 10 5 EEBERO C[C@H]([NH3+])c1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000423828931 466864455 /nfs/dbraw/zinc/86/44/55/466864455.db2.gz QSKCEFULMAGMEJ-NSHDSACASA-N 1 0 326.356 2.208 10 5 EEBERO C[C@H](C[NH3+])CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000420213222 467322660 /nfs/dbraw/zinc/32/26/60/467322660.db2.gz HJSSPHRFMHJZMD-MRVPVSSYSA-N 1 0 339.193 2.334 10 5 EEBERO COc1ccc([C@@H](C[NH3+])CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000420372151 467382111 /nfs/dbraw/zinc/38/21/11/467382111.db2.gz LENVMNXQYBXKLK-HNNXBMFYSA-N 1 0 342.399 2.099 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420391254 467392184 /nfs/dbraw/zinc/39/21/84/467392184.db2.gz YWDJIYLQXLSWDX-RDTXWAMCSA-N 1 0 346.431 2.306 10 5 EEBERO CCN1C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000408042497 467498877 /nfs/dbraw/zinc/49/88/77/467498877.db2.gz RJBGCVBDAQGUGC-CHWSQXEVSA-N 1 0 341.433 2.006 10 5 EEBERO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[S@@](C)=O ZINC000447589199 467587799 /nfs/dbraw/zinc/58/77/99/467587799.db2.gz WYXDNGYHLLRJFC-DULLULTKSA-N 1 0 328.438 2.022 10 5 EEBERO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449784747 467714653 /nfs/dbraw/zinc/71/46/53/467714653.db2.gz CFOHJBKGASPWJA-AWEZNQCLSA-N 1 0 345.399 2.353 10 5 EEBERO CC1(C)CCC[N@@H+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000457052150 467740357 /nfs/dbraw/zinc/74/03/57/467740357.db2.gz INRUHPLHNAOXRI-UHFFFAOYSA-N 1 0 341.358 2.406 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000450345938 467831483 /nfs/dbraw/zinc/83/14/83/467831483.db2.gz GPLJVSNDLOCBRO-DOTOQJQBSA-N 1 0 342.399 2.285 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000590442055 468257458 /nfs/dbraw/zinc/25/74/58/468257458.db2.gz GBRBUWZZNYUOCI-ZANVPECISA-N 1 0 343.305 2.390 10 5 EEBERO Cc1cc(OCC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600468604 468565964 /nfs/dbraw/zinc/56/59/64/468565964.db2.gz FILINWYDTBQWCL-HNNXBMFYSA-N 1 0 347.415 2.415 10 5 EEBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(CO)OC ZINC000594510812 468613130 /nfs/dbraw/zinc/61/31/30/468613130.db2.gz LGTZLGOIKMPGGX-DOMZBBRYSA-N 1 0 328.434 2.453 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000600677869 468618266 /nfs/dbraw/zinc/61/82/66/468618266.db2.gz CCPOVHSKIBXZRY-SWLSCSKDSA-N 1 0 332.404 2.186 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2CCC1(C[NH3+])CC2 ZINC000582975082 468626011 /nfs/dbraw/zinc/62/60/11/468626011.db2.gz LRKLZCOKEDHMFY-UHFFFAOYSA-N 1 0 332.404 2.045 10 5 EEBERO C[C@@H]1CC[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600777440 468655164 /nfs/dbraw/zinc/65/51/64/468655164.db2.gz UEUWOVSOMIQUAX-IUODEOHRSA-N 1 0 329.404 2.225 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597856874 468695102 /nfs/dbraw/zinc/69/51/02/468695102.db2.gz BXXNRCCSGBDPGP-ZDUSSCGKSA-N 1 0 335.404 2.353 10 5 EEBERO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000597861029 468697094 /nfs/dbraw/zinc/69/70/94/468697094.db2.gz ROBJVGVWJRPJCT-JTQLQIEISA-N 1 0 339.367 2.345 10 5 EEBERO Cc1c(Br)c(N2C[C@H](C)[C@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000600960660 468697538 /nfs/dbraw/zinc/69/75/38/468697538.db2.gz CKBYGJWJWMDVEH-IONNQARKSA-N 1 0 329.198 2.092 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592475879 468705640 /nfs/dbraw/zinc/70/56/40/468705640.db2.gz CQFGWARPVPHRMW-LSDHHAIUSA-N 1 0 346.431 2.306 10 5 EEBERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000583805415 468758330 /nfs/dbraw/zinc/75/83/30/468758330.db2.gz YQPXMXNXQICQDQ-NSHDSACASA-N 1 0 341.358 2.262 10 5 EEBERO C[NH+](C)C[C@]1(O)CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000601188287 468775156 /nfs/dbraw/zinc/77/51/56/468775156.db2.gz FYGMPUAZWIVGNB-QGZVFWFLSA-N 1 0 330.388 2.036 10 5 EEBERO C[NH+](C)C[C@]1(O)CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000601189938 468776262 /nfs/dbraw/zinc/77/62/62/468776262.db2.gz XIAQTXXHGVUUHD-QGZVFWFLSA-N 1 0 330.388 2.036 10 5 EEBERO C[NH+](C)C[C@]1(O)CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000601189624 468776371 /nfs/dbraw/zinc/77/63/71/468776371.db2.gz TWELCWUMQJHQSG-QGZVFWFLSA-N 1 0 330.388 2.036 10 5 EEBERO CCn1nc(C)c([N+](=O)[O-])c1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601227542 468789021 /nfs/dbraw/zinc/78/90/21/468789021.db2.gz UPJZFWODOFAHRE-UHFFFAOYSA-N 1 0 333.396 2.326 10 5 EEBERO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595268805 468797488 /nfs/dbraw/zinc/79/74/88/468797488.db2.gz LPRXBKYLOMGSCR-QZTJIDSGSA-N 1 0 339.395 2.399 10 5 EEBERO COc1ccc(OCCN2CCC[C@@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC000601335343 468830319 /nfs/dbraw/zinc/83/03/19/468830319.db2.gz SMYDLAKXNXHQQA-UKRRQHHQSA-N 1 0 335.404 2.056 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601355887 468838103 /nfs/dbraw/zinc/83/81/03/468838103.db2.gz AMVXBQVXKNJBIJ-ONGXEEELSA-N 1 0 347.462 2.068 10 5 EEBERO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598541004 468907476 /nfs/dbraw/zinc/90/74/76/468907476.db2.gz LSZBSMYABUQGRR-UHFFFAOYSA-N 1 0 333.388 2.152 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595752731 468990787 /nfs/dbraw/zinc/99/07/87/468990787.db2.gz VRPQBIVSROXHAN-UGSOOPFHSA-N 1 0 347.415 2.467 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000572777210 468992217 /nfs/dbraw/zinc/99/22/17/468992217.db2.gz MPWHGCMXLSSTCO-UHFFFAOYSA-N 1 0 347.371 2.182 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598914040 469048057 /nfs/dbraw/zinc/04/80/57/469048057.db2.gz WDWPZQUUHLGGPF-UHOFOFEASA-N 1 0 348.403 2.488 10 5 EEBERO COCC1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCCCC1 ZINC000595909452 469076436 /nfs/dbraw/zinc/07/64/36/469076436.db2.gz OCDWJYYBVTWVQT-UHFFFAOYSA-N 1 0 347.415 2.423 10 5 EEBERO COCC1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000595911963 469079535 /nfs/dbraw/zinc/07/95/35/469079535.db2.gz VTXSJDAIJGSRRS-HNNXBMFYSA-N 1 0 338.404 2.273 10 5 EEBERO COc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1O ZINC000599000845 469083312 /nfs/dbraw/zinc/08/33/12/469083312.db2.gz XRLGJCXQLIONPX-CQSZACIVSA-N 1 0 335.404 2.416 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@]2(O)CCOC2)o1 ZINC000593669800 469085734 /nfs/dbraw/zinc/08/57/34/469085734.db2.gz BCPVLHZTUCQYOO-KRWDZBQOSA-N 1 0 332.356 2.486 10 5 EEBERO Nc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000595966510 469100004 /nfs/dbraw/zinc/10/00/04/469100004.db2.gz IEYVHIHUPFBDTF-UKRRQHHQSA-N 1 0 340.383 2.053 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(Cc2ccco2)C1 ZINC000601962095 469115311 /nfs/dbraw/zinc/11/53/11/469115311.db2.gz CIOWESYSPDQGMN-CQSZACIVSA-N 1 0 332.356 2.102 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC000611395632 469241122 /nfs/dbraw/zinc/24/11/22/469241122.db2.gz QOSJWKVTEFIJRS-SJORKVTESA-N 1 0 330.388 2.283 10 5 EEBERO COc1ccc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000599680563 469336539 /nfs/dbraw/zinc/33/65/39/469336539.db2.gz SANAITRAUHGHQU-ZDUSSCGKSA-N 1 0 334.351 2.429 10 5 EEBERO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000619809262 469684785 /nfs/dbraw/zinc/68/47/85/469684785.db2.gz IVUFYCWHSLHKAR-CYBMUJFWSA-N 1 0 344.419 2.404 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cn1 ZINC000608878905 469885028 /nfs/dbraw/zinc/88/50/28/469885028.db2.gz LGEZBXGWJNEGFW-UHFFFAOYSA-N 1 0 342.359 2.087 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000609190710 469900926 /nfs/dbraw/zinc/90/09/26/469900926.db2.gz WZHXWWWIUOZKTH-UHFFFAOYSA-N 1 0 347.415 2.278 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609731889 469957964 /nfs/dbraw/zinc/95/79/64/469957964.db2.gz MPOQHLOQKFZOFR-LBPRGKRZSA-N 1 0 341.795 2.228 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000610135708 469983476 /nfs/dbraw/zinc/98/34/76/469983476.db2.gz IWISXNDDPHFQLT-GHMZBOCLSA-N 1 0 347.462 2.150 10 5 EEBERO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000264193084 535524768 /nfs/dbraw/zinc/52/47/68/535524768.db2.gz PHYOJLQZXAAJNM-UHFFFAOYSA-N 1 0 337.420 2.334 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000758579977 577627656 /nfs/dbraw/zinc/62/76/56/577627656.db2.gz LDTPYRNQOACDNK-UHFFFAOYSA-N 1 0 328.800 2.341 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000749673389 577979683 /nfs/dbraw/zinc/97/96/83/577979683.db2.gz FHDNHBSNTCWZGX-QGZVFWFLSA-N 1 0 342.399 2.282 10 5 EEBERO O=C1COc2cc([N+](=O)[O-])c(NC3CC[NH+](CC4CC4)CC3)cc2N1 ZINC000177814379 681531460 /nfs/dbraw/zinc/53/14/60/681531460.db2.gz OSKYMCLFKVWHGX-UHFFFAOYSA-N 1 0 346.387 2.212 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000928448799 683197422 /nfs/dbraw/zinc/19/74/22/683197422.db2.gz OTHRJRAXXRDTFE-PRHODGIISA-N 1 0 342.193 2.180 10 5 EEBERO CCc1n[nH]c(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000914443357 683784681 /nfs/dbraw/zinc/78/46/81/683784681.db2.gz MMODMGJGJKLZTC-VXGBXAGGSA-N 1 0 337.424 2.215 10 5 EEBERO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)c(N)c([N+](=O)[O-])c1 ZINC000104851392 693826663 /nfs/dbraw/zinc/82/66/63/693826663.db2.gz XTXAAYZYRKNPCH-UHFFFAOYSA-N 1 0 334.420 2.480 10 5 EEBERO CC/C(C)=C/C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001266900804 1177757429 /nfs/dbraw/zinc/75/74/29/1177757429.db2.gz HUEAYEBJJVSHIT-UJOQRBFFSA-N 1 0 329.400 2.498 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)c1cnon1)Cc1cccc([N+](=O)[O-])c1 ZINC001481355844 1181109621 /nfs/dbraw/zinc/10/96/21/1181109621.db2.gz QPFLTFGQPAKCPK-UHFFFAOYSA-N 1 0 347.375 2.008 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccon1 ZINC001481889731 1182898170 /nfs/dbraw/zinc/89/81/70/1182898170.db2.gz GLQVLMLASICCQD-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO CC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCOCC2)CC1 ZINC001271038977 1185834325 /nfs/dbraw/zinc/83/43/25/1185834325.db2.gz WDIMHGUCTQBIRL-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])ns1 ZINC001483003194 1187981129 /nfs/dbraw/zinc/98/11/29/1187981129.db2.gz NMTHZRNNEBJHOV-PLNGDYQASA-N 1 0 346.412 2.436 10 5 EEBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])ns1 ZINC001483003195 1187981541 /nfs/dbraw/zinc/98/15/41/1187981541.db2.gz NMTHZRNNEBJHOV-SNAWJCMRSA-N 1 0 346.412 2.436 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000865264011 1198146862 /nfs/dbraw/zinc/14/68/62/1198146862.db2.gz NILRUEIICXDBDJ-CQSZACIVSA-N 1 0 336.461 2.352 10 5 EEBERO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001132962708 1200229700 /nfs/dbraw/zinc/22/97/00/1200229700.db2.gz GSCWTGYQGSJCNN-HNNXBMFYSA-N 1 0 340.355 2.149 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208891 1201465354 /nfs/dbraw/zinc/46/53/54/1201465354.db2.gz WTBRUAAPYLOXMK-DZGCQCFKSA-N 1 0 344.415 2.017 10 5 EEBERO CC(C)CN(CC1CC[NH+](C)CC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000866263039 1201479813 /nfs/dbraw/zinc/47/98/13/1201479813.db2.gz LAFMUIZFWAPLBA-UHFFFAOYSA-N 1 0 348.447 2.498 10 5 EEBERO O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866720970 1201589405 /nfs/dbraw/zinc/58/94/05/1201589405.db2.gz QGVVYGBLRYJBFE-STQMWFEESA-N 1 0 338.795 2.013 10 5 EEBERO Cc1ccc(CNC(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000868097588 1201742265 /nfs/dbraw/zinc/74/22/65/1201742265.db2.gz LQAAFNDIWNEWLE-UHFFFAOYSA-N 1 0 334.420 2.434 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000881985401 1201798178 /nfs/dbraw/zinc/79/81/78/1201798178.db2.gz MFHCKYPYEHMACQ-HNNXBMFYSA-N 1 0 346.431 2.014 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000887928955 1204510221 /nfs/dbraw/zinc/51/02/21/1204510221.db2.gz BUMAWNPTNUUURZ-XIKOKIGWSA-N 1 0 349.406 2.422 10 5 EEBERO COCCCC(=O)N1CCC(C)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001274313327 1204994183 /nfs/dbraw/zinc/99/41/83/1204994183.db2.gz CTWGCXHHFPRQKT-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO COc1ccc(OCCN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c([N+](=O)[O-])c1 ZINC000931309875 1206623502 /nfs/dbraw/zinc/62/35/02/1206623502.db2.gz HOUJBLVROMVPHW-ROUUACIJSA-N 1 0 349.431 2.256 10 5 EEBERO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](CC[N+](=O)[O-])C2 ZINC000931754096 1207456722 /nfs/dbraw/zinc/45/67/22/1207456722.db2.gz VILXFNPAHYOOFV-MRXNPFEDSA-N 1 0 327.425 2.376 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933740235 1207830882 /nfs/dbraw/zinc/83/08/82/1207830882.db2.gz LUVVGPNDYOQMCB-KDOFPFPSSA-N 1 0 346.431 2.115 10 5 EEBERO O=C(CCN1CCO[C@H](C(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801559193 1235836123 /nfs/dbraw/zinc/83/61/23/1235836123.db2.gz FQRPEURLZXFKEA-LBPRGKRZSA-N 1 0 347.293 2.028 10 5 EEBERO CN(C)c1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC001191762679 1281578131 /nfs/dbraw/zinc/57/81/31/1281578131.db2.gz ATCNDRNXAHKTOQ-AWEZNQCLSA-N 1 0 342.403 2.137 10 5 EEBERO CC[NH+](CC)CCCN[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC001196706386 1284208359 /nfs/dbraw/zinc/20/83/59/1284208359.db2.gz IIDJYWSYCFTISK-QGZVFWFLSA-N 1 0 337.420 2.305 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCO1 ZINC000853990769 1292573349 /nfs/dbraw/zinc/57/33/49/1292573349.db2.gz UZSUORJCEPJLPY-LBPRGKRZSA-N 1 0 338.364 2.050 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000855166581 1293097103 /nfs/dbraw/zinc/09/71/03/1293097103.db2.gz MBYORWUNPAPGHK-NSHDSACASA-N 1 0 339.367 2.102 10 5 EEBERO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000862486259 1295854903 /nfs/dbraw/zinc/85/49/03/1295854903.db2.gz BWMAXLDNRABXMC-ZDUSSCGKSA-N 1 0 348.355 2.108 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCCCCF)CC2 ZINC001277490649 1303651156 /nfs/dbraw/zinc/65/11/56/1303651156.db2.gz VFCVLRZGUQSFIY-HUUCEWRRSA-N 1 0 341.427 2.106 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001149097483 1310505551 /nfs/dbraw/zinc/50/55/51/1310505551.db2.gz FGRGHOBYDXIANU-CYBMUJFWSA-N 1 0 332.404 2.029 10 5 EEBERO C[NH2+]C1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843351260 1315896632 /nfs/dbraw/zinc/89/66/32/1315896632.db2.gz HZZNIAVYIKZFSZ-SNVBAGLBSA-N 1 0 340.811 2.259 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000843474772 1315920589 /nfs/dbraw/zinc/92/05/89/1315920589.db2.gz VDBCUKDCBVFKTB-MRXNPFEDSA-N 1 0 348.359 2.027 10 5 EEBERO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c1[N+](=O)[O-] ZINC001152053156 1316626319 /nfs/dbraw/zinc/62/63/19/1316626319.db2.gz NWLNDKDFIJWNJF-CYBMUJFWSA-N 1 0 335.408 2.153 10 5 EEBERO Cc1cc(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC001263620399 1322495734 /nfs/dbraw/zinc/49/57/34/1322495734.db2.gz SYVPHFRFVWGPLU-OAHLLOKOSA-N 1 0 334.372 2.313 10 5 EEBERO C[N@H+](CCNC(=O)COc1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317466937 1332255766 /nfs/dbraw/zinc/25/57/66/1332255766.db2.gz LOYWQOICLGPZOZ-UHFFFAOYSA-N 1 0 349.412 2.283 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cnsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317540329 1332290116 /nfs/dbraw/zinc/29/01/16/1332290116.db2.gz KLWIYMAWTQSOTK-UHFFFAOYSA-N 1 0 349.416 2.088 10 5 EEBERO Cc1cc(F)ccc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001318631841 1332570667 /nfs/dbraw/zinc/57/06/67/1332570667.db2.gz GVZVYQRXAQYEMQ-HZPDHXFCSA-N 1 0 349.406 2.318 10 5 EEBERO CCC1([NH2+]CCCCCF)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001327448492 1334294479 /nfs/dbraw/zinc/29/44/79/1334294479.db2.gz BUGNNYUPQNHHBT-ZIAGYGMSSA-N 1 0 329.416 2.152 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001332868438 1335921824 /nfs/dbraw/zinc/92/18/24/1335921824.db2.gz XNGDKZNHQHDMBM-GOEBONIOSA-N 1 0 335.379 2.410 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001347861813 1337523927 /nfs/dbraw/zinc/52/39/27/1337523927.db2.gz RNPPZBZLDDACQS-UHFFFAOYSA-N 1 0 333.388 2.209 10 5 EEBERO Cc1cc(OCC(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001557279778 1342444875 /nfs/dbraw/zinc/44/48/75/1342444875.db2.gz FFQSJZPQVNWUBA-INIZCTEOSA-N 1 0 349.431 2.471 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001648347397 1353425947 /nfs/dbraw/zinc/42/59/47/1353425947.db2.gz QWXPRLWYKVGFKA-CQSZACIVSA-N 1 0 343.387 2.199 10 5 EEBERO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001648531194 1353432900 /nfs/dbraw/zinc/43/29/00/1353432900.db2.gz QENQCSSNABWBHV-CYBMUJFWSA-N 1 0 344.375 2.191 10 5 EEBERO C[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C[NH+](C)C ZINC001651893620 1354069284 /nfs/dbraw/zinc/06/92/84/1354069284.db2.gz PWJFHXXFGLFCMC-JTQLQIEISA-N 1 0 333.348 2.083 10 5 EEBERO CCCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001699881655 1405547959 /nfs/dbraw/zinc/54/79/59/1405547959.db2.gz PRTMLYBCCBLXLC-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO COc1cc(CC[NH2+]CC2(O)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000920091580 770557689 /nfs/dbraw/zinc/55/76/89/770557689.db2.gz IIKPKGGNLBVACX-UHFFFAOYSA-N 1 0 338.404 2.439 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000931664818 773873707 /nfs/dbraw/zinc/87/37/07/773873707.db2.gz VXFVBMULIXTESY-QMMMGPOBSA-N 1 0 344.774 2.136 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001135625371 784119083 /nfs/dbraw/zinc/11/90/83/784119083.db2.gz ZYXPFXJQHJDZLB-SSDOTTSWSA-N 1 0 343.796 2.066 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC([NH+]2CCCC2)C1 ZINC000912325971 788118252 /nfs/dbraw/zinc/11/82/52/788118252.db2.gz CMNOQIDJHRQDLG-UHFFFAOYSA-N 1 0 344.415 2.115 10 5 EEBERO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385279 788833310 /nfs/dbraw/zinc/83/33/10/788833310.db2.gz VVCCEKSBLZCZMX-NSHDSACASA-N 1 0 329.759 2.488 10 5 EEBERO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nc(Br)c[nH]1 ZINC000921792330 796000775 /nfs/dbraw/zinc/00/07/75/796000775.db2.gz WMOWPUASUBRZSW-UHFFFAOYSA-N 1 0 325.166 2.413 10 5 EEBERO CC1CC[NH+](CC[C@H]2CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001171609002 796657903 /nfs/dbraw/zinc/65/79/03/796657903.db2.gz OCPNFGZOYMJOEB-CYBMUJFWSA-N 1 0 335.408 2.045 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC001178709999 799599730 /nfs/dbraw/zinc/59/97/30/799599730.db2.gz UNLHKOREINFDSF-CYBMUJFWSA-N 1 0 325.796 2.247 10 5 EEBERO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000712334251 803200132 /nfs/dbraw/zinc/20/01/32/803200132.db2.gz HZECBKWFMZTZJH-JTQLQIEISA-N 1 0 342.193 2.181 10 5 EEBERO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788631434 807615788 /nfs/dbraw/zinc/61/57/88/807615788.db2.gz MENPRDIUCIWQEM-LBPRGKRZSA-N 1 0 328.372 2.258 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1c(C)ccn1C ZINC001497374220 1102401575 /nfs/dbraw/zinc/40/15/75/1102401575.db2.gz GCQRHTLMJNLUIS-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccc[nH]1 ZINC001493528773 1108273986 /nfs/dbraw/zinc/27/39/86/1108273986.db2.gz YGKXIRFVGAIJPF-HJWRWDBZSA-N 1 0 328.372 2.184 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC001461625354 1110346208 /nfs/dbraw/zinc/34/62/08/1110346208.db2.gz BKNAYCMODPXLOP-CQSZACIVSA-N 1 0 332.404 2.435 10 5 EEBERO O=[N+]([O-])c1ccsc1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001472900130 1110565499 /nfs/dbraw/zinc/56/54/99/1110565499.db2.gz KGTYUYZMKXTGEX-UHFFFAOYSA-N 1 0 325.434 2.474 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@H](C)C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001473816911 1110581480 /nfs/dbraw/zinc/58/14/80/1110581480.db2.gz IFVVHLAARVJJLP-LLVKDONJSA-N 1 0 339.392 2.335 10 5 EEBERO O=C(NC1(C2CC[NH+](CCCCCF)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001508166238 1115433228 /nfs/dbraw/zinc/43/32/28/1115433228.db2.gz USBLNXUFWZYZNW-HUUCEWRRSA-N 1 0 341.427 2.152 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc([N+](=O)[O-])c1 ZINC001538671593 1124034614 /nfs/dbraw/zinc/03/46/14/1124034614.db2.gz OYSNIHNQIKABTB-AWEZNQCLSA-N 1 0 335.360 2.193 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccsn1 ZINC001568868905 1124894878 /nfs/dbraw/zinc/89/48/78/1124894878.db2.gz CEACCRRXSVJOOB-UPHRSURJSA-N 1 0 332.385 2.127 10 5 EEBERO C[NH+](C)C[C@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807192 282132919 /nfs/dbraw/zinc/13/29/19/282132919.db2.gz GRMRPQKKUXAFQC-QZTJIDSGSA-N 1 0 329.400 2.196 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000131438318 529933022 /nfs/dbraw/zinc/93/30/22/529933022.db2.gz QKJBCFQNKXDFIG-CQSZACIVSA-N 1 0 334.420 2.487 10 5 EEBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179550726 233155834 /nfs/dbraw/zinc/15/58/34/233155834.db2.gz TUYTXKIVSORRGV-CYBMUJFWSA-N 1 0 327.331 2.476 10 5 EEBERO O=[N+]([O-])c1c(Nc2cc[nH+]cc2)ncnc1-n1nnc2ccccc21 ZINC000040586504 213355018 /nfs/dbraw/zinc/35/50/18/213355018.db2.gz POCHFFLBYNEBNP-UHFFFAOYSA-N 1 0 334.299 2.257 10 5 EEBERO C[C@@]12C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451359709 243089640 /nfs/dbraw/zinc/08/96/40/243089640.db2.gz DFSPNVKDTCCJOX-INJPQVFBSA-N 1 0 344.411 2.479 10 5 EEBERO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266432527 248298747 /nfs/dbraw/zinc/29/87/47/248298747.db2.gz DNONDYLFSOWICQ-ZDUSSCGKSA-N 1 0 349.412 2.224 10 5 EEBERO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000097370654 219016805 /nfs/dbraw/zinc/01/68/05/219016805.db2.gz AEGNMHPEBGGWOM-GFCCVEGCSA-N 1 0 326.356 2.230 10 5 EEBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246761589 160292740 /nfs/dbraw/zinc/29/27/40/160292740.db2.gz YFBJILHNEXVLDH-WFASDCNBSA-N 1 0 343.387 2.486 10 5 EEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000247013019 160305767 /nfs/dbraw/zinc/30/57/67/160305767.db2.gz HFGFKNAEIGUQNX-DZGCQCFKSA-N 1 0 334.420 2.242 10 5 EEBERO O=[N+]([O-])c1cn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc1C1CC1 ZINC000352439523 162135957 /nfs/dbraw/zinc/13/59/57/162135957.db2.gz WSVWXYCAZHJMOP-INIZCTEOSA-N 1 0 342.399 2.088 10 5 EEBERO CNC(=O)CCOC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000355124218 163087790 /nfs/dbraw/zinc/08/77/90/163087790.db2.gz BPJGFGLLJVNAFU-GQCTYLIASA-N 1 0 347.415 2.225 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000355722725 163281438 /nfs/dbraw/zinc/28/14/38/163281438.db2.gz RDDBZLBRNDPPJC-KRWDZBQOSA-N 1 0 328.372 2.039 10 5 EEBERO Cc1c(CC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000368019830 166037095 /nfs/dbraw/zinc/03/70/95/166037095.db2.gz KRRBWKQFWDCEQU-CVEARBPZSA-N 1 0 331.416 2.436 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000359087795 164054863 /nfs/dbraw/zinc/05/48/63/164054863.db2.gz YKIMRUJXLGWVRD-HNNXBMFYSA-N 1 0 335.452 2.291 10 5 EEBERO CCc1ccc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000359679729 164151095 /nfs/dbraw/zinc/15/10/95/164151095.db2.gz HGFOCDRDFCEDPF-UHFFFAOYSA-N 1 0 347.415 2.279 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123880089 222345776 /nfs/dbraw/zinc/34/57/76/222345776.db2.gz GPNNOMWWQHWKSH-KGLIPLIRSA-N 1 0 334.420 2.256 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000281656691 269438543 /nfs/dbraw/zinc/43/85/43/269438543.db2.gz NEXLSJFBWOMCLJ-ZBFHGGJFSA-N 1 0 349.431 2.471 10 5 EEBERO C[N@@H+]1CC[C@@]2(CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)C1 ZINC000292204842 275393591 /nfs/dbraw/zinc/39/35/91/275393591.db2.gz SPIFDQVJWCWPGK-QGZVFWFLSA-N 1 0 343.387 2.172 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000292724418 275470539 /nfs/dbraw/zinc/47/05/39/275470539.db2.gz SBOAFZMOOLNNTK-SNVBAGLBSA-N 1 0 349.840 2.033 10 5 EEBERO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000345889155 279434337 /nfs/dbraw/zinc/43/43/37/279434337.db2.gz QFPUFNDEBABDKA-UHFFFAOYSA-N 1 0 337.424 2.055 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294916071 293579247 /nfs/dbraw/zinc/57/92/47/293579247.db2.gz JQNPPOJKFLFCPW-UHFFFAOYSA-N 1 0 331.376 2.057 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414949873 313114057 /nfs/dbraw/zinc/11/40/57/313114057.db2.gz NWDXYBQUCONEQC-PSASIEDQSA-N 1 0 344.318 2.316 10 5 EEBERO [NH3+]C1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415691887 313167726 /nfs/dbraw/zinc/16/77/26/313167726.db2.gz GLWPIMRKQHODST-UHFFFAOYSA-N 1 0 343.181 2.312 10 5 EEBERO CC(C)(C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000429854189 314475947 /nfs/dbraw/zinc/47/59/47/314475947.db2.gz WMQZGQNDLRXHER-UHFFFAOYSA-N 1 0 349.431 2.101 10 5 EEBERO C[NH+](C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532137559 317844428 /nfs/dbraw/zinc/84/44/28/317844428.db2.gz JPXXYTIVQLBRKA-UHFFFAOYSA-N 1 0 330.344 2.183 10 5 EEBERO Cc1cccnc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562998859 318955420 /nfs/dbraw/zinc/95/54/20/318955420.db2.gz SJNUASLOJZYMGA-UHFFFAOYSA-N 1 0 328.372 2.459 10 5 EEBERO [NH3+]C1CCC(OCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000571049746 319721588 /nfs/dbraw/zinc/72/15/88/319721588.db2.gz LLRVIFZZEQIBFV-UHFFFAOYSA-N 1 0 347.415 2.372 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000155716612 462933569 /nfs/dbraw/zinc/93/35/69/462933569.db2.gz RSPLKIGAJZJYTO-KGLIPLIRSA-N 1 0 335.404 2.209 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cs1 ZINC000282965911 463718080 /nfs/dbraw/zinc/71/80/80/463718080.db2.gz YSDJOYUPUNQDPO-TZMCWYRMSA-N 1 0 326.418 2.314 10 5 EEBERO NC(=O)c1ccc(CN2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000171388048 463854648 /nfs/dbraw/zinc/85/46/48/463854648.db2.gz BCUMNTDZSBGSHT-UHFFFAOYSA-N 1 0 346.431 2.002 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000283793582 464011314 /nfs/dbraw/zinc/01/13/14/464011314.db2.gz SKSHUNNVBSSXGT-JSGCOSHPSA-N 1 0 348.403 2.005 10 5 EEBERO Cn1cc(C[NH2+]C[C@H](O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263828155 464208253 /nfs/dbraw/zinc/20/82/53/464208253.db2.gz TWEULACBGBDUID-LBPRGKRZSA-N 1 0 344.293 2.008 10 5 EEBERO CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237210728 464285034 /nfs/dbraw/zinc/28/50/34/464285034.db2.gz VQIYZHWMJQVBLT-ONXXMXGDSA-N 1 0 335.429 2.428 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000285153406 464469537 /nfs/dbraw/zinc/46/95/37/464469537.db2.gz UBIUHLDKBFZZDD-HZPDHXFCSA-N 1 0 328.372 2.052 10 5 EEBERO C[C@H]1CC[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C[NH2+]1 ZINC000599932896 468415989 /nfs/dbraw/zinc/41/59/89/468415989.db2.gz DMMXLYBJFZUZFJ-GXTWGEPZSA-N 1 0 332.404 2.409 10 5 EEBERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182898819 464754118 /nfs/dbraw/zinc/75/41/18/464754118.db2.gz ALUMKNYYIBINEK-BLLLJJGKSA-N 1 0 329.356 2.245 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000569105571 468440011 /nfs/dbraw/zinc/44/00/11/468440011.db2.gz SLUJQCMGROPBAU-MRXNPFEDSA-N 1 0 341.367 2.058 10 5 EEBERO CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362751060 465998417 /nfs/dbraw/zinc/99/84/17/465998417.db2.gz BNIZSRCPJAEAJB-SNVBAGLBSA-N 1 0 329.347 2.262 10 5 EEBERO C[N@@H+]1CC[C@](O)(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253535 466573442 /nfs/dbraw/zinc/57/34/42/466573442.db2.gz OBAHSKOWLGKFGA-OALUTQOASA-N 1 0 341.411 2.340 10 5 EEBERO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416355904 466729853 /nfs/dbraw/zinc/72/98/53/466729853.db2.gz ABMSYGBOWHZUNF-UHFFFAOYSA-N 1 0 343.449 2.222 10 5 EEBERO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423978121 466934549 /nfs/dbraw/zinc/93/45/49/466934549.db2.gz QFYVIILLCXAQKY-ZIAGYGMSSA-N 1 0 333.388 2.208 10 5 EEBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418587954 467132650 /nfs/dbraw/zinc/13/26/50/467132650.db2.gz HIVHPQPMVKDJMS-BLLLJJGKSA-N 1 0 332.404 2.267 10 5 EEBERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427472446 467159637 /nfs/dbraw/zinc/15/96/37/467159637.db2.gz QMMFDDCRHHUVDQ-CYBMUJFWSA-N 1 0 337.424 2.196 10 5 EEBERO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000418990513 467160699 /nfs/dbraw/zinc/16/06/99/467160699.db2.gz CUKMQNJYVPNKEU-OLZOCXBDSA-N 1 0 330.388 2.034 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000389784964 467401761 /nfs/dbraw/zinc/40/17/61/467401761.db2.gz GCDQXUBLGYFRLS-JTQLQIEISA-N 1 0 330.182 2.148 10 5 EEBERO COCCN(CC[NH+](C)C)C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000567944138 468242384 /nfs/dbraw/zinc/24/23/84/468242384.db2.gz DFKAMKMWUMMNPY-UHFFFAOYSA-N 1 0 343.811 2.207 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000582973835 468624519 /nfs/dbraw/zinc/62/45/19/468624519.db2.gz KTUQILQKAOMLQV-ZDUSSCGKSA-N 1 0 349.387 2.164 10 5 EEBERO [NH3+]C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)(F)F ZINC000594583411 468626886 /nfs/dbraw/zinc/62/68/86/468626886.db2.gz LATHRPISCNPGRB-VIFPVBQESA-N 1 0 329.225 2.175 10 5 EEBERO Cn1cnc(CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000592373178 468685280 /nfs/dbraw/zinc/68/52/80/468685280.db2.gz BLNUAIYZNJBVMU-UHFFFAOYSA-N 1 0 341.318 2.047 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000592375560 468685410 /nfs/dbraw/zinc/68/54/10/468685410.db2.gz UFICITDWSYLGFQ-KRWDZBQOSA-N 1 0 338.404 2.261 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000595069688 468751550 /nfs/dbraw/zinc/75/15/50/468751550.db2.gz QOPVAXXGXKUUSZ-GXFFZTMASA-N 1 0 343.330 2.326 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000601131474 468755224 /nfs/dbraw/zinc/75/52/24/468755224.db2.gz LRBXNROWDRDNSD-ZFWWWQNUSA-N 1 0 338.383 2.309 10 5 EEBERO O=C1N(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H]2CCCCN12 ZINC000595105168 468760119 /nfs/dbraw/zinc/76/01/19/468760119.db2.gz QRJYJAPGHRDLSQ-XJKSGUPXSA-N 1 0 344.415 2.462 10 5 EEBERO CC[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000601281262 468809241 /nfs/dbraw/zinc/80/92/41/468809241.db2.gz MHKHLTLIMNJUNQ-MRXNPFEDSA-N 1 0 345.403 2.234 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000595382094 468833684 /nfs/dbraw/zinc/83/36/84/468833684.db2.gz OYLAJBJZOUNCOG-UHFFFAOYSA-N 1 0 343.449 2.135 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000601549933 468915488 /nfs/dbraw/zinc/91/54/88/468915488.db2.gz IOFRDHSKXVDMTF-LBPRGKRZSA-N 1 0 341.367 2.381 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c1 ZINC000595691051 468957174 /nfs/dbraw/zinc/95/71/74/468957174.db2.gz YBWDMAOSRRTXQF-CALCHBBNSA-N 1 0 334.372 2.240 10 5 EEBERO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000598914035 469048119 /nfs/dbraw/zinc/04/81/19/469048119.db2.gz WCQGVZUPGOPRRB-MRVPVSSYSA-N 1 0 326.662 2.259 10 5 EEBERO Cc1cc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000593615355 469059316 /nfs/dbraw/zinc/05/93/16/469059316.db2.gz ATYYEGRLHSSCQM-UHFFFAOYSA-N 1 0 343.449 2.159 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000587626276 469090923 /nfs/dbraw/zinc/09/09/23/469090923.db2.gz JBEKWNYGBDTTPG-GFCCVEGCSA-N 1 0 336.392 2.052 10 5 EEBERO [NH3+]CC12CC(C1)CN2C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595942013 469093222 /nfs/dbraw/zinc/09/32/22/469093222.db2.gz FMDCHALJRIXESJ-UHFFFAOYSA-N 1 0 329.278 2.177 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000595993025 469108674 /nfs/dbraw/zinc/10/86/74/469108674.db2.gz VENPHEKNXRYPMX-FZKQIMNGSA-N 1 0 346.431 2.313 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C1 ZINC000593726628 469110948 /nfs/dbraw/zinc/11/09/48/469110948.db2.gz QLVNPISQURFHRC-RHSMWYFYSA-N 1 0 335.404 2.019 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000599141051 469133718 /nfs/dbraw/zinc/13/37/18/469133718.db2.gz VOEYNSBLEXWOCD-CYBMUJFWSA-N 1 0 344.371 2.390 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608900403 469884663 /nfs/dbraw/zinc/88/46/63/469884663.db2.gz LKWSHENPDJDPKY-UHFFFAOYSA-N 1 0 339.311 2.436 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181549866 529153824 /nfs/dbraw/zinc/15/38/24/529153824.db2.gz YEFOZMNJLNZNLN-CYBMUJFWSA-N 1 0 336.392 2.260 10 5 EEBERO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1 ZINC000731676761 577116141 /nfs/dbraw/zinc/11/61/41/577116141.db2.gz URGHHGOLKVETKT-DLBZAZTESA-N 1 0 341.367 2.023 10 5 EEBERO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000732035073 577143231 /nfs/dbraw/zinc/14/32/31/577143231.db2.gz KSEPIGREQNAKON-LBPRGKRZSA-N 1 0 348.359 2.120 10 5 EEBERO COCC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752059414 577765396 /nfs/dbraw/zinc/76/53/96/577765396.db2.gz ZBJOJBJNCQSGQZ-HECSCLNYSA-N 1 0 347.415 2.225 10 5 EEBERO COCC1(CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261631923 676353449 /nfs/dbraw/zinc/35/34/49/676353449.db2.gz DAORGPTZIFMFFM-UHFFFAOYSA-N 1 0 327.356 2.171 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C)CC[N@@H+](C)CC1 ZINC000897858926 691790493 /nfs/dbraw/zinc/79/04/93/691790493.db2.gz PBNGTHSIRLYQFR-SSZFMOIBSA-N 1 0 332.448 2.177 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCOCC1 ZINC001482915822 1187840886 /nfs/dbraw/zinc/84/08/86/1187840886.db2.gz OKGXTWJXYBXWGQ-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CCOC(=O)Cc1ccc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000825573599 1198042122 /nfs/dbraw/zinc/04/21/22/1198042122.db2.gz CZLGNUXAAJUTAM-UHFFFAOYSA-N 1 0 335.404 2.231 10 5 EEBERO CCN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273375223 1198395122 /nfs/dbraw/zinc/39/51/22/1198395122.db2.gz QVHYCSNNVAIFLB-GHMZBOCLSA-N 1 0 331.825 2.005 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cnc(C)o1 ZINC001273418358 1198749245 /nfs/dbraw/zinc/74/92/45/1198749245.db2.gz AAWKOFLUKOTDOV-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000814146967 1199318970 /nfs/dbraw/zinc/31/89/70/1199318970.db2.gz VUUZMHSEVYXJHB-LKFCYVNXSA-N 1 0 341.770 2.092 10 5 EEBERO COC(=O)c1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000866204811 1201463887 /nfs/dbraw/zinc/46/38/87/1201463887.db2.gz GHKHUFCKSIUHPX-IUODEOHRSA-N 1 0 333.388 2.220 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866206805 1201464899 /nfs/dbraw/zinc/46/48/99/1201464899.db2.gz FYEOHWQJLPNSHA-GXTWGEPZSA-N 1 0 333.388 2.220 10 5 EEBERO CC1(C)CC[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000866699657 1201583244 /nfs/dbraw/zinc/58/32/44/1201583244.db2.gz QJPZXEWCLLJEJW-UHFFFAOYSA-N 1 0 338.383 2.136 10 5 EEBERO O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000866721530 1201589890 /nfs/dbraw/zinc/58/98/90/1201589890.db2.gz WJVAZCACVRAEPV-DGCLKSJQSA-N 1 0 338.795 2.013 10 5 EEBERO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000867743751 1201671247 /nfs/dbraw/zinc/67/12/47/1201671247.db2.gz XAOJANXSDPVENJ-UHFFFAOYSA-N 1 0 341.433 2.136 10 5 EEBERO Cc1ccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000868008977 1201725251 /nfs/dbraw/zinc/72/52/51/1201725251.db2.gz QFYDENUZHILXHE-UHFFFAOYSA-N 1 0 332.404 2.329 10 5 EEBERO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928104879 1206345028 /nfs/dbraw/zinc/34/50/28/1206345028.db2.gz XKNDATOBSCDZGY-BJYXUANLSA-N 1 0 347.440 2.304 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000929620119 1206490675 /nfs/dbraw/zinc/49/06/75/1206490675.db2.gz SUXRSVMFFBGFIZ-UHFFFAOYSA-N 1 0 335.379 2.410 10 5 EEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900347911 1234248115 /nfs/dbraw/zinc/24/81/15/1234248115.db2.gz GYLMRPRBSSLAIB-GOSISDBHSA-N 1 0 349.431 2.179 10 5 EEBERO C[NH+](C)CC1CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801930143 1236460491 /nfs/dbraw/zinc/46/04/91/1236460491.db2.gz GXLJMOBOPAKGLA-UHFFFAOYSA-N 1 0 338.383 2.166 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N[C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468834 1240566220 /nfs/dbraw/zinc/56/62/20/1240566220.db2.gz OPGBBOSOFOJUGA-SWLSCSKDSA-N 1 0 332.404 2.104 10 5 EEBERO COc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000903535974 1240837809 /nfs/dbraw/zinc/83/78/09/1240837809.db2.gz URMFHDZJZRFZKT-QWRGUYRKSA-N 1 0 333.310 2.315 10 5 EEBERO CC1(C)OCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830664905 1248376483 /nfs/dbraw/zinc/37/64/83/1248376483.db2.gz XCKMEXMNRUCQES-GFCCVEGCSA-N 1 0 327.768 2.344 10 5 EEBERO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)C1(CF)CCC1 ZINC001491326381 1258954420 /nfs/dbraw/zinc/95/44/20/1258954420.db2.gz ODZUWUDIXQGIJL-ZSHCYNCHSA-N 1 0 347.390 2.281 10 5 EEBERO CC[N@H+](CCCNC(=O)c1c[nH]nc1C)Cc1ccccc1[N+](=O)[O-] ZINC001265126140 1322934467 /nfs/dbraw/zinc/93/44/67/1322934467.db2.gz LMHABUMVAKAOSD-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO CC[N@H+](CCNC(=O)c1ocnc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317475609 1331613093 /nfs/dbraw/zinc/61/30/93/1331613093.db2.gz NTSRLBPURDCHLW-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CCC[N@H+](CCNC(=O)c1nc(C)c[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001317544131 1332291247 /nfs/dbraw/zinc/29/12/47/1332291247.db2.gz IZNVXFUETUMVLM-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO CCc1nc(C(=O)N(CC)CC[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001320716666 1332939885 /nfs/dbraw/zinc/93/98/85/1332939885.db2.gz LIJAYKOQATYESM-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO Cc1ncccc1C(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001321220493 1333047418 /nfs/dbraw/zinc/04/74/18/1333047418.db2.gz LJPFZHCIVXSEJC-IHWYPQMZSA-N 1 0 340.383 2.374 10 5 EEBERO O=C(CCn1cccc1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001323580677 1333492130 /nfs/dbraw/zinc/49/21/30/1333492130.db2.gz UOTVVHRRZIXCQH-UHFFFAOYSA-N 1 0 342.399 2.225 10 5 EEBERO CCOc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)ccc1[N+](=O)[O-] ZINC001345351153 1337439776 /nfs/dbraw/zinc/43/97/76/1337439776.db2.gz UCEQVKUOWYICPF-MRVWCRGKSA-N 1 0 348.403 2.455 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC001349693345 1337639660 /nfs/dbraw/zinc/63/96/60/1337639660.db2.gz KNMQXWXPPGUISO-NUEKZKHPSA-N 1 0 342.399 2.006 10 5 EEBERO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001641928774 1352727283 /nfs/dbraw/zinc/72/72/83/1352727283.db2.gz YSTQQFZOABZSTR-FPAYPSAMSA-N 1 0 343.427 2.022 10 5 EEBERO CCCC(=O)NCCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001660863124 1354553105 /nfs/dbraw/zinc/55/31/05/1354553105.db2.gz WOBNVJJFKVKCQT-UHFFFAOYSA-N 1 0 348.447 2.019 10 5 EEBERO C[N@H+](CCNC(=O)c1cc2c([nH]1)CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC001663312614 1354947160 /nfs/dbraw/zinc/94/71/60/1354947160.db2.gz CURFTTBCEPFGKG-UHFFFAOYSA-N 1 0 342.399 2.273 10 5 EEBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1C ZINC001663381851 1354955289 /nfs/dbraw/zinc/95/52/89/1354955289.db2.gz SFIAJONZVWXVGD-HUUCEWRRSA-N 1 0 339.823 2.252 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc(F)c(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001667566061 1355761651 /nfs/dbraw/zinc/76/16/51/1355761651.db2.gz MNBOBLYLHFAKMZ-BXUZGUMPSA-N 1 0 343.786 2.035 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccsn1 ZINC001668464501 1355946405 /nfs/dbraw/zinc/94/64/05/1355946405.db2.gz QTLNFFUEBNRNMP-UHFFFAOYSA-N 1 0 340.430 2.365 10 5 EEBERO O=C(Cc1ccoc1)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001668792674 1356006629 /nfs/dbraw/zinc/00/66/29/1356006629.db2.gz VQURAMQWHNVTLS-UPHRSURJSA-N 1 0 329.356 2.193 10 5 EEBERO CN(CC(C)(C)C[NH2+]CC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001674832454 1356901750 /nfs/dbraw/zinc/90/17/50/1356901750.db2.gz VAGNKPRBKGSMJD-HUUCEWRRSA-N 1 0 325.453 2.306 10 5 EEBERO C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2cccs2)c2ccccc2)C1 ZINC000000000359 717087829 /nfs/dbraw/zinc/08/78/29/717087829.db2.gz IGWCFPFGZULDHY-YJBOKZPZSA-N 1 0 332.445 2.376 10 5 in-man EEBERO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1(S(C)(=O)=O)CC1 ZINC000809703881 783320768 /nfs/dbraw/zinc/32/07/68/783320768.db2.gz RHLXFQKCOLKXOW-VIFPVBQESA-N 1 0 332.809 2.304 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000819681112 785642892 /nfs/dbraw/zinc/64/28/92/785642892.db2.gz STYUTNZEBPDTLF-UHFFFAOYSA-N 1 0 332.404 2.017 10 5 EEBERO C[C@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[NH+]2CCC1CC2 ZINC000912378875 788132511 /nfs/dbraw/zinc/13/25/11/788132511.db2.gz KYBRZJUAJAZBPO-KRWDZBQOSA-N 1 0 328.372 2.290 10 5 EEBERO COc1c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000913279946 788739836 /nfs/dbraw/zinc/73/98/36/788739836.db2.gz YCQIAVLQEDIMIH-IAGOWNOFSA-N 1 0 333.388 2.017 10 5 EEBERO CN1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000823755515 798762268 /nfs/dbraw/zinc/76/22/68/798762268.db2.gz PWSFTVLXPKDDRE-QZTJIDSGSA-N 1 0 346.431 2.197 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000791126848 809065401 /nfs/dbraw/zinc/06/54/01/809065401.db2.gz KHCOJZBCTJYWNV-NSHDSACASA-N 1 0 343.786 2.482 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000791137849 809092156 /nfs/dbraw/zinc/09/21/56/809092156.db2.gz JGDWJOGFICRLGT-UHFFFAOYSA-N 1 0 331.775 2.340 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001446377497 1100756710 /nfs/dbraw/zinc/75/67/10/1100756710.db2.gz QHKIOOWMTMCQRH-SJKOYZFVSA-N 1 0 344.415 2.266 10 5 EEBERO CCC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC001495466272 1101177389 /nfs/dbraw/zinc/17/73/89/1101177389.db2.gz FSENGCPXFWDMQT-JOCQHMNTSA-N 1 0 349.435 2.036 10 5 EEBERO CC(C)(C)c1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001497585754 1102702805 /nfs/dbraw/zinc/70/28/05/1102702805.db2.gz YBFYGIGTLIHUMV-OSNZYPHYSA-N 1 0 345.443 2.411 10 5 EEBERO C[C@@H](O)CN(C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001459527251 1110209384 /nfs/dbraw/zinc/20/93/84/1110209384.db2.gz XDMWWFKOFQEEOH-MRVPVSSYSA-N 1 0 326.740 2.111 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001460778810 1110323737 /nfs/dbraw/zinc/32/37/37/1110323737.db2.gz WUOGKGFBIWCRBU-UHFFFAOYSA-N 1 0 349.431 2.336 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001473764710 1110579941 /nfs/dbraw/zinc/57/99/41/1110579941.db2.gz RAHRZLOGQHNNEV-LBPRGKRZSA-N 1 0 330.392 2.432 10 5 EEBERO Cc1cccnc1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001473866534 1110582774 /nfs/dbraw/zinc/58/27/74/1110582774.db2.gz IIFCCOKEPMLEBC-HOCLYGCPSA-N 1 0 347.419 2.233 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)n1 ZINC001538542131 1124029322 /nfs/dbraw/zinc/02/93/22/1124029322.db2.gz KRIIWUDFDPVLCI-UHFFFAOYSA-N 1 0 344.375 2.014 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001542464441 1124113713 /nfs/dbraw/zinc/11/37/13/1124113713.db2.gz DPEHHLFBNVJVEJ-CYBMUJFWSA-N 1 0 337.807 2.487 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000183370606 235031520 /nfs/dbraw/zinc/03/15/20/235031520.db2.gz XKNVRSLCPSTYDH-UHFFFAOYSA-N 1 0 332.404 2.283 10 5 EEBERO COC(=O)CCC[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000037416452 213145507 /nfs/dbraw/zinc/14/55/07/213145507.db2.gz ABIOQVMUIMSAHR-UHFFFAOYSA-N 1 0 331.166 2.400 10 5 EEBERO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000425967438 241189486 /nfs/dbraw/zinc/18/94/86/241189486.db2.gz OHSMZBSOGWFCRG-TZMCWYRMSA-N 1 0 330.388 2.198 10 5 EEBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451258910 243053343 /nfs/dbraw/zinc/05/33/43/243053343.db2.gz XAWUCTIPOXGXGX-JSGCOSHPSA-N 1 0 332.360 2.238 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000246982770 243345982 /nfs/dbraw/zinc/34/59/82/243345982.db2.gz DZJNXNLGSQQXCB-DOMZBBRYSA-N 1 0 344.415 2.478 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[N@@H+](C4CC4)CC3)o2)cc1 ZINC000195338591 160211410 /nfs/dbraw/zinc/21/14/10/160211410.db2.gz HBHSHCZLXBHJPO-UHFFFAOYSA-N 1 0 343.387 2.315 10 5 EEBERO C[NH+](C)CCCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342384494 161061360 /nfs/dbraw/zinc/06/13/60/161061360.db2.gz UMFALJPYPFPQJJ-UHFFFAOYSA-N 1 0 343.811 2.475 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352430801 162132779 /nfs/dbraw/zinc/13/27/79/162132779.db2.gz IWZRVRZDOGLFBX-VXGBXAGGSA-N 1 0 349.387 2.316 10 5 EEBERO COc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000352781111 162283751 /nfs/dbraw/zinc/28/37/51/162283751.db2.gz XJOCOGNJTNEVGX-IIDMSEBBSA-N 1 0 349.431 2.287 10 5 EEBERO C[NH+]1CCC(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000359041387 164044077 /nfs/dbraw/zinc/04/40/77/164044077.db2.gz QSFAVEVQIJIFPE-UHFFFAOYSA-N 1 0 343.330 2.268 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000275161141 269099622 /nfs/dbraw/zinc/09/96/22/269099622.db2.gz IYFAQBYPULUMSE-SNVBAGLBSA-N 1 0 333.348 2.006 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000277357245 269150096 /nfs/dbraw/zinc/15/00/96/269150096.db2.gz CAAHFGHJFQHRPT-WFASDCNBSA-N 1 0 335.404 2.406 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000281656689 269438309 /nfs/dbraw/zinc/43/83/09/269438309.db2.gz NEXLSJFBWOMCLJ-GOEBONIOSA-N 1 0 349.431 2.471 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000338743985 274004313 /nfs/dbraw/zinc/00/43/13/274004313.db2.gz JWBANOIUYFKTGE-KRWDZBQOSA-N 1 0 333.388 2.304 10 5 EEBERO CCN1CC[NH+](C[C@H](C)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278422210 274353891 /nfs/dbraw/zinc/35/38/91/274353891.db2.gz IPXDFRBISQAQSU-CYBMUJFWSA-N 1 0 346.435 2.157 10 5 EEBERO CCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000090554586 276364301 /nfs/dbraw/zinc/36/43/01/276364301.db2.gz SMEUUTOAMLOLON-HOTGVXAUSA-N 1 0 349.431 2.426 10 5 EEBERO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000411658924 312558708 /nfs/dbraw/zinc/55/87/08/312558708.db2.gz NFFCGVRFMGZBPE-UHFFFAOYSA-N 1 0 349.387 2.389 10 5 EEBERO CC(C)[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](O)CO ZINC000421402199 314097104 /nfs/dbraw/zinc/09/71/04/314097104.db2.gz DGJLAMXOWWUZOX-HNNXBMFYSA-N 1 0 334.372 2.418 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC2(CC[NH2+]2)CC1 ZINC000422638143 314297730 /nfs/dbraw/zinc/29/77/30/314297730.db2.gz PVLVQHSOGUPBPM-UHFFFAOYSA-N 1 0 332.404 2.060 10 5 EEBERO CC[NH2+]CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000563497741 319015629 /nfs/dbraw/zinc/01/56/29/319015629.db2.gz BFUUBKTVEGPFIA-UHFFFAOYSA-N 1 0 345.197 2.478 10 5 EEBERO CS[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1[NH+](C)C ZINC000564892784 319123721 /nfs/dbraw/zinc/12/37/21/319123721.db2.gz DOTBPTMJEVIBMR-HUUCEWRRSA-N 1 0 336.461 2.350 10 5 EEBERO O=[N+]([O-])c1cnccc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060375227 462544080 /nfs/dbraw/zinc/54/40/80/462544080.db2.gz WXHFDQZUKOKTHQ-UHFFFAOYSA-N 1 0 341.415 2.220 10 5 EEBERO Cc1c(NC(=O)CCN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000113268995 462583628 /nfs/dbraw/zinc/58/36/28/462583628.db2.gz DCDOVKBVGMZCTH-DZGCQCFKSA-N 1 0 346.431 2.400 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]21 ZINC000153139844 462619641 /nfs/dbraw/zinc/61/96/41/462619641.db2.gz WLYKPYDNDZNFJT-QWHCGFSZSA-N 1 0 331.294 2.133 10 5 EEBERO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCC1 ZINC000128237472 462621155 /nfs/dbraw/zinc/62/11/55/462621155.db2.gz SAEVXFWUVSMACD-HNNXBMFYSA-N 1 0 349.435 2.401 10 5 EEBERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000156163800 462987655 /nfs/dbraw/zinc/98/76/55/462987655.db2.gz KXYUXPNQWDHMSV-HJSDFSPCSA-N 1 0 346.383 2.495 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032068787 463363767 /nfs/dbraw/zinc/36/37/67/463363767.db2.gz LLVSADSOAVWLOF-SNVBAGLBSA-N 1 0 349.840 2.257 10 5 EEBERO [NH3+]CCN(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261653971 463817491 /nfs/dbraw/zinc/81/74/91/463817491.db2.gz DPBVQMGAIVNBMW-UHFFFAOYSA-N 1 0 343.383 2.004 10 5 EEBERO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188041623 464185983 /nfs/dbraw/zinc/18/59/83/464185983.db2.gz ZEKOTXKTSXXAFB-RISCZKNCSA-N 1 0 335.404 2.467 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000246257729 464564274 /nfs/dbraw/zinc/56/42/74/464564274.db2.gz TXMOEMWMLXYFCX-QWHCGFSZSA-N 1 0 341.433 2.006 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294953875 464660985 /nfs/dbraw/zinc/66/09/85/464660985.db2.gz OEIHJODCLMMZAZ-JTQLQIEISA-N 1 0 331.294 2.438 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000247404904 464676351 /nfs/dbraw/zinc/67/63/51/464676351.db2.gz PRBYXZUVLLEAPA-BBRMVZONSA-N 1 0 332.404 2.015 10 5 EEBERO CC(C)[N@H+]1C[C@H](NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000176836086 464863056 /nfs/dbraw/zinc/86/30/56/464863056.db2.gz QKQFMPVWAAWUKJ-ZFWWWQNUSA-N 1 0 334.420 2.465 10 5 EEBERO CCOc1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000348011992 465370080 /nfs/dbraw/zinc/37/00/80/465370080.db2.gz WOWWOSCOBNZNCU-OAHLLOKOSA-N 1 0 333.388 2.160 10 5 EEBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298720595 465482711 /nfs/dbraw/zinc/48/27/11/465482711.db2.gz OMKGDFHZAZRNHS-BETUJISGSA-N 1 0 349.435 2.259 10 5 EEBERO C[NH+]1CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597094156 468441507 /nfs/dbraw/zinc/44/15/07/468441507.db2.gz MBQDSCBQNZXOMG-UHFFFAOYSA-N 1 0 327.772 2.046 10 5 EEBERO C[C@@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000597103983 468444099 /nfs/dbraw/zinc/44/40/99/468444099.db2.gz OPEOSWQUBVFERR-SCZZXKLOSA-N 1 0 341.799 2.435 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[C@H]1c1cccs1 ZINC000353320399 465794654 /nfs/dbraw/zinc/79/46/54/465794654.db2.gz WWANVNTVHUIVSN-YGRLFVJLSA-N 1 0 349.416 2.192 10 5 EEBERO CNC(=O)C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000361644192 466171960 /nfs/dbraw/zinc/17/19/60/466171960.db2.gz PDIQXHDDAZXTBL-KRWDZBQOSA-N 1 0 343.383 2.441 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361776316 466279499 /nfs/dbraw/zinc/27/94/99/466279499.db2.gz LITLMBZYTUAWIW-GASCZTMLSA-N 1 0 348.447 2.410 10 5 EEBERO CCOc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000357932044 466329200 /nfs/dbraw/zinc/32/92/00/466329200.db2.gz CFXCVEOVXKMETQ-GFCCVEGCSA-N 1 0 333.388 2.374 10 5 EEBERO COC[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000452076462 467314241 /nfs/dbraw/zinc/31/42/41/467314241.db2.gz BUZBYGJEEGVEHL-CQSZACIVSA-N 1 0 335.404 2.306 10 5 EEBERO Cc1c(NC(=O)CCN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000420346003 467371324 /nfs/dbraw/zinc/37/13/24/467371324.db2.gz CAGAGVOBQWUYCS-OKILXGFUSA-N 1 0 332.404 2.058 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000430244800 467410752 /nfs/dbraw/zinc/41/07/52/467410752.db2.gz YELDGNSWYFEKEB-HNNXBMFYSA-N 1 0 347.415 2.438 10 5 EEBERO CCO[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000405545673 467481581 /nfs/dbraw/zinc/48/15/81/467481581.db2.gz WBZJAIYMZLIANB-NOZJJQNGSA-N 1 0 344.209 2.157 10 5 EEBERO CNc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000570281806 468616720 /nfs/dbraw/zinc/61/67/20/468616720.db2.gz LXUBDOCGKKRPLR-QGZVFWFLSA-N 1 0 340.383 2.335 10 5 EEBERO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592183833 468648037 /nfs/dbraw/zinc/64/80/37/468648037.db2.gz FXWSZJLDRMJIMS-AWEZNQCLSA-N 1 0 345.321 2.138 10 5 EEBERO C[C@H]1CC[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600777441 468655245 /nfs/dbraw/zinc/65/52/45/468655245.db2.gz UEUWOVSOMIQUAX-SWLSCSKDSA-N 1 0 329.404 2.225 10 5 EEBERO [NH3+][C@H]1CCCCCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000600959222 468697732 /nfs/dbraw/zinc/69/77/32/468697732.db2.gz UJODJJPVPOTNPM-VIFPVBQESA-N 1 0 329.198 2.460 10 5 EEBERO CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597945030 468720098 /nfs/dbraw/zinc/72/00/98/468720098.db2.gz GRZLEVRLQJNZIS-HNNXBMFYSA-N 1 0 346.431 2.361 10 5 EEBERO CC(C)[N@@H+]1CC[C@@H](CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601108808 468744399 /nfs/dbraw/zinc/74/43/99/468744399.db2.gz MUGYYOGWOMNGSW-VIFPVBQESA-N 1 0 335.330 2.489 10 5 EEBERO CN(c1c([N+](=O)[O-])c(C(F)(F)F)nn1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601114967 468746757 /nfs/dbraw/zinc/74/67/57/468746757.db2.gz COBYSILUEWQBCT-SECBINFHSA-N 1 0 333.314 2.020 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000601136311 468757393 /nfs/dbraw/zinc/75/73/93/468757393.db2.gz COPWUKFRWXUSIN-UHFFFAOYSA-N 1 0 347.341 2.412 10 5 EEBERO O=C1N(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000595105164 468760191 /nfs/dbraw/zinc/76/01/91/468760191.db2.gz QRJYJAPGHRDLSQ-CJNGLKHVSA-N 1 0 344.415 2.462 10 5 EEBERO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601165037 468766949 /nfs/dbraw/zinc/76/69/49/468766949.db2.gz JDHDFVJWGTWKGB-VHSXEESVSA-N 1 0 347.341 2.410 10 5 EEBERO C[NH2+]C[C@@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595232372 468789739 /nfs/dbraw/zinc/78/97/39/468789739.db2.gz YXTZZFOFNKMBBG-SSDOTTSWSA-N 1 0 331.170 2.087 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593114612 468876017 /nfs/dbraw/zinc/87/60/17/468876017.db2.gz DQDKOAFXYNJUOX-GXTWGEPZSA-N 1 0 328.315 2.066 10 5 EEBERO CCOc1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607302 468921019 /nfs/dbraw/zinc/92/10/19/468921019.db2.gz LAXGRQGAVVKKNV-CQSZACIVSA-N 1 0 331.376 2.107 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595660295 468943984 /nfs/dbraw/zinc/94/39/84/468943984.db2.gz DQPQEJREXHEHAK-ZDUSSCGKSA-N 1 0 349.435 2.179 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000595752299 468988708 /nfs/dbraw/zinc/98/87/08/468988708.db2.gz WSTPOVGRKZVPIW-QGZVFWFLSA-N 1 0 334.372 2.118 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595752710 468988845 /nfs/dbraw/zinc/98/88/45/468988845.db2.gz VNEYMLBJVOKWLG-SJKOYZFVSA-N 1 0 333.388 2.159 10 5 EEBERO O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(C2CC[NH2+]CC2)no1 ZINC000595929107 469088048 /nfs/dbraw/zinc/08/80/48/469088048.db2.gz WBKRJFQIXKRKHE-UHFFFAOYSA-N 1 0 344.371 2.022 10 5 EEBERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587454911 469090218 /nfs/dbraw/zinc/09/02/18/469090218.db2.gz KMMDKFRPIFRARC-XQQFMLRXSA-N 1 0 336.436 2.448 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595952001 469096219 /nfs/dbraw/zinc/09/62/19/469096219.db2.gz VLAUZRBTSIYSIA-LLVKDONJSA-N 1 0 344.209 2.461 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599052539 469100931 /nfs/dbraw/zinc/10/09/31/469100931.db2.gz OJQOMPSTWCBUHU-AWEZNQCLSA-N 1 0 330.388 2.036 10 5 EEBERO COCC1(C2CC2)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000601966056 469117044 /nfs/dbraw/zinc/11/70/44/469117044.db2.gz XXVPPOAJFWKMPF-UHFFFAOYSA-N 1 0 333.388 2.282 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000599184316 469154625 /nfs/dbraw/zinc/15/46/25/469154625.db2.gz ZMLFWKMCRHHBOY-UHFFFAOYSA-N 1 0 334.420 2.379 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(CO)ccc3F)C2)nc1 ZINC000599326311 469212863 /nfs/dbraw/zinc/21/28/63/469212863.db2.gz WFOYRNSIRBWEOU-AWEZNQCLSA-N 1 0 346.362 2.308 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596362813 469251603 /nfs/dbraw/zinc/25/16/03/469251603.db2.gz ONGBNEIBHALGIX-AWEZNQCLSA-N 1 0 345.447 2.827 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599603824 469306161 /nfs/dbraw/zinc/30/61/61/469306161.db2.gz KLJMTTZGMRDQPJ-IYBDPMFKSA-N 1 0 334.376 2.067 10 5 EEBERO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599833583 469386397 /nfs/dbraw/zinc/38/63/97/469386397.db2.gz URPLWADCISTIRB-LLVKDONJSA-N 1 0 329.360 2.216 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)Nc1cc(C)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000181556656 529154197 /nfs/dbraw/zinc/15/41/97/529154197.db2.gz ZQJMSAWLRUYUQZ-CQSZACIVSA-N 1 0 331.376 2.316 10 5 EEBERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153962406 529229145 /nfs/dbraw/zinc/22/91/45/529229145.db2.gz RMXWWCGGHJLBRQ-CYBMUJFWSA-N 1 0 327.812 2.137 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NCCCN2CCC[N@H+](C)CC2)c1 ZINC000771179683 577611203 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2.102 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnc(F)c1 ZINC001268526360 1183180469 /nfs/dbraw/zinc/18/04/69/1183180469.db2.gz VUSIMXWCBHKPKU-OWOJBTEDSA-N 1 0 344.346 2.205 10 5 EEBERO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC001269847086 1184665972 /nfs/dbraw/zinc/66/59/72/1184665972.db2.gz RCHWFHNBKVBPPR-MNOVXSKESA-N 1 0 337.351 2.099 10 5 EEBERO CC(C)CC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001484858698 1191553489 /nfs/dbraw/zinc/55/34/89/1191553489.db2.gz WQOOEKCPWPSAGZ-UHFFFAOYSA-N 1 0 349.431 2.396 10 5 EEBERO COCC(=O)NC1(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001486485805 1193999021 /nfs/dbraw/zinc/99/90/21/1193999021.db2.gz REPAAYMNENUYJY-UHFFFAOYSA-N 1 0 347.415 2.102 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCCS2)c1 ZINC000872223340 1198096870 /nfs/dbraw/zinc/09/68/70/1198096870.db2.gz GZZFAIVFDBXCPD-HIFRSBDPSA-N 1 0 326.418 2.210 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872270125 1198121908 /nfs/dbraw/zinc/12/19/08/1198121908.db2.gz BBTYFWAQMFEKLE-GFCCVEGCSA-N 1 0 334.420 2.169 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000880183502 1201415405 /nfs/dbraw/zinc/41/54/05/1201415405.db2.gz SWAAGTJTHVVEND-INMHGKMJSA-N 1 0 334.372 2.046 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000866208892 1201465391 /nfs/dbraw/zinc/46/53/91/1201465391.db2.gz WTBRUAAPYLOXMK-HIFRSBDPSA-N 1 0 344.415 2.017 10 5 EEBERO C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1c1cc[nH+]cc1 ZINC000881638720 1201732163 /nfs/dbraw/zinc/73/21/63/1201732163.db2.gz XBZSTFZQCLBTQD-AWEZNQCLSA-N 1 0 340.383 2.270 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000868210292 1201765453 /nfs/dbraw/zinc/76/54/53/1201765453.db2.gz KBDVYCHTAYPLBF-HUUCEWRRSA-N 1 0 332.404 2.329 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000928424878 1206381363 /nfs/dbraw/zinc/38/13/63/1206381363.db2.gz FXOOBTFWCPXBLM-YGRLFVJLSA-N 1 0 325.796 2.390 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928437150 1206383676 /nfs/dbraw/zinc/38/36/76/1206383676.db2.gz HAAYUPPVTTYTEM-GZMMTYOYSA-N 1 0 331.294 2.436 10 5 EEBERO CCc1ccc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802136032 1236976178 /nfs/dbraw/zinc/97/61/78/1236976178.db2.gz FNAMRBJGZJCNLC-HNNXBMFYSA-N 1 0 336.388 2.423 10 5 EEBERO O=C(CN[C@H]1CC[NH2+]C12CCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903465635 1240552985 /nfs/dbraw/zinc/55/29/85/1240552985.db2.gz KWROJJRTBPUPHA-ZDUSSCGKSA-N 1 0 338.795 2.061 10 5 EEBERO CCC1([NH2+]Cc2ccc(F)cc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001273756794 1284935578 /nfs/dbraw/zinc/93/55/78/1284935578.db2.gz HHSGOIHZHIOBJT-HZPDHXFCSA-N 1 0 349.406 2.352 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000853990172 1292573419 /nfs/dbraw/zinc/57/34/19/1292573419.db2.gz JREGLMHJIUUQCX-GFCCVEGCSA-N 1 0 329.347 2.420 10 5 EEBERO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859519986 1294468531 /nfs/dbraw/zinc/46/85/31/1294468531.db2.gz XOXDKJCGJWCTNQ-OAHLLOKOSA-N 1 0 338.379 2.487 10 5 EEBERO C[C@H](COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)[N+](=O)[O-] ZINC000860777014 1295105094 /nfs/dbraw/zinc/10/50/94/1295105094.db2.gz JCFJTAMEOVZUPQ-XOKHGSTOSA-N 1 0 332.400 2.353 10 5 EEBERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863581792 1296343607 /nfs/dbraw/zinc/34/36/07/1296343607.db2.gz WPFHYTJIJJFBFF-DLBZAZTESA-N 1 0 341.367 2.045 10 5 EEBERO CC[NH+](CC)CC[C@H](C)NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC001124126373 1310829134 /nfs/dbraw/zinc/82/91/34/1310829134.db2.gz LTMVYZHYKSTUJR-LBPRGKRZSA-N 1 0 339.440 2.035 10 5 EEBERO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841011584 1315454395 /nfs/dbraw/zinc/45/43/95/1315454395.db2.gz RWVUIMYUBDJSLB-SNVBAGLBSA-N 1 0 334.710 2.367 10 5 EEBERO Cc1ccc(F)c(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001280814687 1324538010 /nfs/dbraw/zinc/53/80/10/1324538010.db2.gz QSEXZPVILVXDLX-GDBMZVCRSA-N 1 0 337.395 2.080 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1O ZINC001317571750 1332303600 /nfs/dbraw/zinc/30/36/00/1332303600.db2.gz VUSZZTFZAISCFL-UHFFFAOYSA-N 1 0 329.356 2.162 10 5 EEBERO CC(C)(C)OCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001330587792 1334874457 /nfs/dbraw/zinc/87/44/57/1334874457.db2.gz PXZFDNFKKQTSHC-SHTZXODSSA-N 1 0 349.431 2.394 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000848025350 1338456061 /nfs/dbraw/zinc/45/60/61/1338456061.db2.gz RICFNGJKTFZAEO-GFCCVEGCSA-N 1 0 343.811 2.071 10 5 EEBERO C[C@H]1CN(C(=[NH2+])NCCc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000849093513 1338837383 /nfs/dbraw/zinc/83/73/83/1338837383.db2.gz XEFNCGJEOIFIPN-JTQLQIEISA-N 1 0 326.784 2.036 10 5 EEBERO C[C@]1(O)CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001617686567 1352343738 /nfs/dbraw/zinc/34/37/38/1352343738.db2.gz FFYIFELIXCOOPZ-INIZCTEOSA-N 1 0 332.360 2.382 10 5 EEBERO C[C@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001560096222 1342507826 /nfs/dbraw/zinc/50/78/26/1342507826.db2.gz POZGKELXPVADFV-SMDDNHRTSA-N 1 0 329.360 2.243 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(N2CCC(O)(C[NH+]3CCCCC3)CC2)n1 ZINC001640521318 1352711059 /nfs/dbraw/zinc/71/10/59/1352711059.db2.gz YIFVTUURKUBIAT-UHFFFAOYSA-N 1 0 334.420 2.115 10 5 EEBERO COc1cccc(C[C@H]2CN(c3ccc([N+](=O)[O-])nc3)CC[NH2+]2)c1 ZINC001643331346 1352745950 /nfs/dbraw/zinc/74/59/50/1352745950.db2.gz UDTUOHJBFVUELW-AWEZNQCLSA-N 1 0 328.372 2.019 10 5 EEBERO COC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001648345723 1353426136 /nfs/dbraw/zinc/42/61/36/1353426136.db2.gz NSUHNVIIWSWSOH-CHWSQXEVSA-N 1 0 349.387 2.054 10 5 EEBERO COc1ccc(OCC[N@@H+]2CC[C@@H](c3cnccn3)C2)c([N+](=O)[O-])c1 ZINC001655713130 1354182379 /nfs/dbraw/zinc/18/23/79/1354182379.db2.gz NVIRKFZWSLMXGW-CYBMUJFWSA-N 1 0 344.371 2.262 10 5 EEBERO CC(=O)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001661387716 1354632884 /nfs/dbraw/zinc/63/28/84/1354632884.db2.gz HGYIQRXEEWBVPQ-JOCQHMNTSA-N 1 0 339.417 2.152 10 5 EEBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1C ZINC001663818159 1355037895 /nfs/dbraw/zinc/03/78/95/1355037895.db2.gz PZJPVXGRLANCLV-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C)on1 ZINC001668357270 1355928594 /nfs/dbraw/zinc/92/85/94/1355928594.db2.gz HKBXLSGCJDMPOH-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO Cc1c[nH]cc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001670344400 1356323913 /nfs/dbraw/zinc/32/39/13/1356323913.db2.gz HIAKXJACSOZFBI-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818579626 785297690 /nfs/dbraw/zinc/29/76/90/785297690.db2.gz KTNCGJVBMWXWDU-QPUJVOFHSA-N 1 0 329.759 2.044 10 5 EEBERO [NH3+][C@@H]1CCCc2cn(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc21 ZINC000818618895 785303879 /nfs/dbraw/zinc/30/38/79/785303879.db2.gz USVZHQZVSOEHKN-GFCCVEGCSA-N 1 0 349.778 2.420 10 5 EEBERO COCCOc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818964543 785330767 /nfs/dbraw/zinc/33/07/67/785330767.db2.gz ZFOKMPLCDWSFEF-GOSISDBHSA-N 1 0 346.383 2.443 10 5 EEBERO COc1cc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc([N+](=O)[O-])c1C ZINC000913281947 788758763 /nfs/dbraw/zinc/75/87/63/788758763.db2.gz VHAHNKVKXNHRFF-QZTJIDSGSA-N 1 0 347.415 2.326 10 5 EEBERO COCC[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000844899452 789441393 /nfs/dbraw/zinc/44/13/93/789441393.db2.gz COPHHUVWYSKJIA-UHFFFAOYSA-N 1 0 327.812 2.449 10 5 EEBERO O=[N+]([O-])c1c2cccnc2ccc1N1CC([NH2+]C2CCOCC2)C1 ZINC000952994814 796142085 /nfs/dbraw/zinc/14/20/85/796142085.db2.gz VADHWVKJELAIMV-UHFFFAOYSA-N 1 0 328.372 2.100 10 5 EEBERO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001176504262 798477064 /nfs/dbraw/zinc/47/70/64/798477064.db2.gz ARVKWGYAGTZISJ-TZMCWYRMSA-N 1 0 335.404 2.453 10 5 EEBERO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001442427302 1096752771 /nfs/dbraw/zinc/75/27/71/1096752771.db2.gz GRFZCJNLAMCBSL-SNVBAGLBSA-N 1 0 340.811 2.292 10 5 EEBERO CCn1cnc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001479808335 1099058961 /nfs/dbraw/zinc/05/89/61/1099058961.db2.gz YPUIHURNCCKUGA-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CCc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1 ZINC001495160940 1100833643 /nfs/dbraw/zinc/83/36/43/1100833643.db2.gz OXOXVJKPCCUPOY-IAGOWNOFSA-N 1 0 345.443 2.433 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccnn1C ZINC001460659873 1110320590 /nfs/dbraw/zinc/32/05/90/1110320590.db2.gz MBBVITITZJTNPE-LBPRGKRZSA-N 1 0 331.376 2.316 10 5 EEBERO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)[N@H+](C)Cc1ccccc1 ZINC001465155907 1110412077 /nfs/dbraw/zinc/41/20/77/1110412077.db2.gz CLOMDAQBMAUDGW-CYBMUJFWSA-N 1 0 342.399 2.427 10 5 EEBERO COCCC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001499963177 1112557465 /nfs/dbraw/zinc/55/74/65/1112557465.db2.gz UJVWXMGGVUVWHO-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001543699600 1124133282 /nfs/dbraw/zinc/13/32/82/1124133282.db2.gz RPUIISOXIZMJBE-BBRMVZONSA-N 1 0 334.420 2.243 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001567859483 1124142989 /nfs/dbraw/zinc/14/29/89/1124142989.db2.gz BZCDGDRCFGLHKV-NXEZZACHSA-N 1 0 344.774 2.182 10 5 EEBERO COC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000066835952 215085013 /nfs/dbraw/zinc/08/50/13/215085013.db2.gz ZVBYDVLFKRUVQH-ZDUSSCGKSA-N 1 0 349.387 2.117 10 5 EEBERO COC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181675015 234279315 /nfs/dbraw/zinc/27/93/15/234279315.db2.gz NOSOYAADEVMPHP-FUHWJXTLSA-N 1 0 346.383 2.312 10 5 EEBERO Cc1c(F)cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000193287232 240091282 /nfs/dbraw/zinc/09/12/82/240091282.db2.gz AEYRVGGQMXHWDU-AWEZNQCLSA-N 1 0 347.412 2.084 10 5 EEBERO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[C@H](O)CC1 ZINC000275811207 256381932 /nfs/dbraw/zinc/38/19/32/256381932.db2.gz HXYROQMBQDITGI-UMSPYCQHSA-N 1 0 341.795 2.422 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000104080097 159282839 /nfs/dbraw/zinc/28/28/39/159282839.db2.gz SVJXMQILYJGNRC-AWEZNQCLSA-N 1 0 346.431 2.482 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000248327833 160341869 /nfs/dbraw/zinc/34/18/69/160341869.db2.gz CPWFJOIIKOFMDW-GJZGRUSLSA-N 1 0 346.431 2.400 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000344722689 161239356 /nfs/dbraw/zinc/23/93/56/161239356.db2.gz CTGPTDPHFPRAND-UHFFFAOYSA-N 1 0 335.404 2.225 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000344777205 161245033 /nfs/dbraw/zinc/24/50/33/161245033.db2.gz PUELRZAQDKLOJX-OAHLLOKOSA-N 1 0 347.415 2.367 10 5 EEBERO CCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000351977917 162011520 /nfs/dbraw/zinc/01/15/20/162011520.db2.gz LRNDPPQVDCBRFG-UHFFFAOYSA-N 1 0 335.404 2.342 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000368326419 166088534 /nfs/dbraw/zinc/08/85/34/166088534.db2.gz GEQIZPKDILSDIF-GOSISDBHSA-N 1 0 332.448 2.115 10 5 EEBERO O=c1[nH]ccc2c1CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000278453449 274357388 /nfs/dbraw/zinc/35/73/88/274357388.db2.gz YIQOGEOIDWLBHE-UHFFFAOYSA-N 1 0 330.300 2.162 10 5 EEBERO Cc1nn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000289479741 275119895 /nfs/dbraw/zinc/11/98/95/275119895.db2.gz XUUGZKOXUQXYLK-MRXNPFEDSA-N 1 0 330.388 2.391 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@H]1C ZINC000349589631 276242893 /nfs/dbraw/zinc/24/28/93/276242893.db2.gz ZFLKDOMPADJMDC-CHWSQXEVSA-N 1 0 344.419 2.309 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000559250011 318742301 /nfs/dbraw/zinc/74/23/01/318742301.db2.gz UFFDKQPSCPTDCN-NSHDSACASA-N 1 0 343.811 2.071 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000574349453 320017422 /nfs/dbraw/zinc/01/74/22/320017422.db2.gz BILMSWHNOYNTQS-AWEZNQCLSA-N 1 0 335.404 2.484 10 5 EEBERO CNc1nccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000516582007 448444214 /nfs/dbraw/zinc/44/42/14/448444214.db2.gz LFKVRRRFJVWNEL-ZDUSSCGKSA-N 1 0 347.419 2.122 10 5 EEBERO C[C@](CO)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000347721587 465188038 /nfs/dbraw/zinc/18/80/38/465188038.db2.gz OZUICHDUKNVSJG-QGZVFWFLSA-N 1 0 332.356 2.177 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000342220930 465303367 /nfs/dbraw/zinc/30/33/67/465303367.db2.gz JGMWDLRGWYGKLV-TXEJJXNPSA-N 1 0 345.403 2.918 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000590600343 468283946 /nfs/dbraw/zinc/28/39/46/468283946.db2.gz OEVAIJGUPFXMHV-LLVKDONJSA-N 1 0 330.392 2.544 10 5 EEBERO C[NH+](C)CCNC(=O)c1cccc2nc3ccc4nccnc4c3nc21 ZINC000027849006 463205735 /nfs/dbraw/zinc/20/57/35/463205735.db2.gz SPFMBZYWUGHTKJ-UHFFFAOYSA-N 1 0 346.394 2.018 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000536262792 468346492 /nfs/dbraw/zinc/34/64/92/468346492.db2.gz JEPJPWWOQNQTQA-HOCLYGCPSA-N 1 0 328.372 2.109 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000160421963 463336913 /nfs/dbraw/zinc/33/69/13/463336913.db2.gz HLNMNABBMQUREG-NXEZZACHSA-N 1 0 327.331 2.428 10 5 EEBERO CN(Cc1csc([N+](=O)[O-])c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863506 463480268 /nfs/dbraw/zinc/48/02/68/463480268.db2.gz OCFJIYUUUKTFQY-UHFFFAOYSA-N 1 0 349.460 2.449 10 5 EEBERO Cc1cccc(NC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000084229690 463586784 /nfs/dbraw/zinc/58/67/84/463586784.db2.gz NGMNJGKUPYRFLH-UHFFFAOYSA-N 1 0 330.392 2.071 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000127289521 463694364 /nfs/dbraw/zinc/69/43/64/463694364.db2.gz IXCYIELKHGXRAL-HIFRSBDPSA-N 1 0 334.420 2.195 10 5 EEBERO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H]1CCCO1 ZINC000185191059 463774841 /nfs/dbraw/zinc/77/48/41/463774841.db2.gz CTFDEUMHLIFMLL-GFCCVEGCSA-N 1 0 325.340 2.173 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1SC ZINC000171479980 463871953 /nfs/dbraw/zinc/87/19/53/463871953.db2.gz YGSOGDHUUYEVDN-JTQLQIEISA-N 1 0 339.417 2.149 10 5 EEBERO O=C1c2ccccc2C(=O)N1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000351910773 465437717 /nfs/dbraw/zinc/43/77/17/465437717.db2.gz ZVCNKDWBEKQQPA-UHFFFAOYSA-N 1 0 339.351 2.023 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173271727 464225486 /nfs/dbraw/zinc/22/54/86/464225486.db2.gz JMPMEYMAXIWMQR-OLZOCXBDSA-N 1 0 341.433 2.006 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000173625423 464295713 /nfs/dbraw/zinc/29/57/13/464295713.db2.gz BJAFMFZAZXWDGP-AWEZNQCLSA-N 1 0 347.415 2.229 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175052317 464485999 /nfs/dbraw/zinc/48/59/99/464485999.db2.gz PGRTUXBWXCZXAG-GOEBONIOSA-N 1 0 346.431 2.400 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249533109 464886367 /nfs/dbraw/zinc/88/63/67/464886367.db2.gz BMXYOEKJTKMIPN-SJKOYZFVSA-N 1 0 335.404 2.325 10 5 EEBERO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000251746170 464941588 /nfs/dbraw/zinc/94/15/88/464941588.db2.gz LDAXQUZCLAWVNL-LDYMZIIASA-N 1 0 329.198 2.316 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000593918202 468432505 /nfs/dbraw/zinc/43/25/05/468432505.db2.gz CFNYYZVLFXZKGX-FVQBIDKESA-N 1 0 333.388 2.096 10 5 EEBERO Cc1cc(N2CC[N@H+](CCO)[C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360067130 465528546 /nfs/dbraw/zinc/52/85/46/465528546.db2.gz UYYVJHSQSNZJOD-LLVKDONJSA-N 1 0 347.337 2.425 10 5 EEBERO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353326621 465798599 /nfs/dbraw/zinc/79/85/99/465798599.db2.gz CLIUEXHYQVAMIQ-OAHLLOKOSA-N 1 0 333.388 2.130 10 5 EEBERO CN(C(=O)C[NH2+]C1(CCO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000353677434 466059786 /nfs/dbraw/zinc/05/97/86/466059786.db2.gz QSZOYCRELRUKAL-UHFFFAOYSA-N 1 0 335.404 2.233 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000597210052 468480240 /nfs/dbraw/zinc/48/02/40/468480240.db2.gz TZMXEJIZSOYJDP-IPYPFGDCSA-N 1 0 340.445 2.471 10 5 EEBERO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)cccc1[N+](=O)[O-] ZINC000367413289 466321055 /nfs/dbraw/zinc/32/10/55/466321055.db2.gz QYEHKOJAZVSQOH-CZUORRHYSA-N 1 0 347.415 2.334 10 5 EEBERO CC[NH+]1CCC(CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347410525 466618751 /nfs/dbraw/zinc/61/87/51/466618751.db2.gz OQVKXQDXXBJSDL-UHFFFAOYSA-N 1 0 329.404 3.072 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411653277 466867125 /nfs/dbraw/zinc/86/71/25/466867125.db2.gz FGCDYXSLVQTZRB-OAHLLOKOSA-N 1 0 329.360 2.484 10 5 EEBERO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000370539484 466915244 /nfs/dbraw/zinc/91/52/44/466915244.db2.gz SMSZUDJYGMRNAS-UHFFFAOYSA-N 1 0 340.383 2.384 10 5 EEBERO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000378238010 467238390 /nfs/dbraw/zinc/23/83/90/467238390.db2.gz RTMRTYGIANKNCP-KGLIPLIRSA-N 1 0 333.388 2.208 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000433773356 467352563 /nfs/dbraw/zinc/35/25/63/467352563.db2.gz GFCHUFCPOGBITE-VXGBXAGGSA-N 1 0 337.424 2.434 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000532142133 468099938 /nfs/dbraw/zinc/09/99/38/468099938.db2.gz KDOYGSIRWABSCP-OAHLLOKOSA-N 1 0 332.335 2.162 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000589518137 468159387 /nfs/dbraw/zinc/15/93/87/468159387.db2.gz AABOZJUVCDRQFO-BBRMVZONSA-N 1 0 347.415 2.440 10 5 EEBERO C[C@@H]1CC[N@H+](CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000594359903 468562249 /nfs/dbraw/zinc/56/22/49/468562249.db2.gz RDDJMAUDJMFQKT-GFCCVEGCSA-N 1 0 330.388 2.077 10 5 EEBERO [NH3+]C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(F)(F)F ZINC000594450182 468593419 /nfs/dbraw/zinc/59/34/19/468593419.db2.gz JMMDBMRXTKUPBE-JTQLQIEISA-N 1 0 333.291 2.429 10 5 EEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594523389 468615258 /nfs/dbraw/zinc/61/52/58/468615258.db2.gz AYRLQWVFTXAZCN-GFCCVEGCSA-N 1 0 348.325 2.404 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)n1 ZINC000592166851 468644852 /nfs/dbraw/zinc/64/48/52/468644852.db2.gz JSPZQIPAXVOMQK-IAGOWNOFSA-N 1 0 344.415 2.249 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000601131423 468754792 /nfs/dbraw/zinc/75/47/92/468754792.db2.gz KBPPLOSGJVVXCN-NXEZZACHSA-N 1 0 347.341 2.268 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595258651 468795306 /nfs/dbraw/zinc/79/53/06/468795306.db2.gz VBYYYQZSBVJFCG-MRXNPFEDSA-N 1 0 342.355 2.211 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000595383084 468833466 /nfs/dbraw/zinc/83/34/66/468833466.db2.gz ZACSOHWUXSUWAK-UHFFFAOYSA-N 1 0 349.478 2.363 10 5 EEBERO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572329729 468915900 /nfs/dbraw/zinc/91/59/00/468915900.db2.gz KKGWMQMZWKGGDZ-WMLDXEAASA-N 1 0 332.404 2.024 10 5 EEBERO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(=O)OC(C)(C)C ZINC000584716632 468920372 /nfs/dbraw/zinc/92/03/72/468920372.db2.gz HLVXJZLZVDCGMO-JSGCOSHPSA-N 1 0 338.408 2.091 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000593460368 468989803 /nfs/dbraw/zinc/98/98/03/468989803.db2.gz AKLPGTNVMCBPOV-QZTJIDSGSA-N 1 0 342.399 2.178 10 5 EEBERO COc1cccc([C@@]2(C)CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000595765469 468997899 /nfs/dbraw/zinc/99/78/99/468997899.db2.gz LIOLANPMXVQYGR-KRWDZBQOSA-N 1 0 330.388 2.464 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611579955 469285551 /nfs/dbraw/zinc/28/55/51/469285551.db2.gz OFLVMSOZRCXAEC-TZMCWYRMSA-N 1 0 346.330 2.038 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000611616531 469293150 /nfs/dbraw/zinc/29/31/50/469293150.db2.gz WTWOXMKHTHBKNT-AWEZNQCLSA-N 1 0 336.436 2.136 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000611616528 469293405 /nfs/dbraw/zinc/29/34/05/469293405.db2.gz WGHFMADCBUFYLM-INIZCTEOSA-N 1 0 347.463 2.211 10 5 EEBERO C[C@@H]1CC[C@@](CO)([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187909797 534203736 /nfs/dbraw/zinc/20/37/36/534203736.db2.gz QOFGSXMMVXXDEG-SJKOYZFVSA-N 1 0 336.388 2.444 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000174126410 528961111 /nfs/dbraw/zinc/96/11/11/528961111.db2.gz HOOKBDZEPAMSIO-UHFFFAOYSA-N 1 0 334.420 2.245 10 5 EEBERO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000456381193 536135433 /nfs/dbraw/zinc/13/54/33/536135433.db2.gz NTAFZYLHMNJWNC-NSHDSACASA-N 1 0 341.358 2.358 10 5 EEBERO COc1ccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000452057472 536699082 /nfs/dbraw/zinc/69/90/82/536699082.db2.gz LNXHCSUBWSDCJC-UHFFFAOYSA-N 1 0 342.399 2.363 10 5 EEBERO COC1CC[NH+](CCNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000752529966 577772248 /nfs/dbraw/zinc/77/22/48/577772248.db2.gz UKVPOUUVSCQJQP-BUHFOSPRSA-N 1 0 347.415 2.225 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261886641 682017937 /nfs/dbraw/zinc/01/79/37/682017937.db2.gz FZLBFOJJTAEUAW-BMFZPTHFSA-N 1 0 339.823 2.495 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@@H]2[NH2+]CCc3ccccc32)c2nonc21 ZINC000261762418 682078792 /nfs/dbraw/zinc/07/87/92/682078792.db2.gz VXDOPOVECRPFMT-ZDUSSCGKSA-N 1 0 325.328 2.430 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000899560665 693789042 /nfs/dbraw/zinc/78/90/42/693789042.db2.gz VVBCYAFUFKZUGF-UHFFFAOYSA-N 1 0 333.388 2.391 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cncnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691179530 1177680756 /nfs/dbraw/zinc/68/07/56/1177680756.db2.gz NMNLSFMCGIQFRI-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ncc[nH]1 ZINC001482218116 1184267033 /nfs/dbraw/zinc/26/70/33/1184267033.db2.gz JIYXVKCXANXMEK-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO O=C(CCn1cccc1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269513781 1184335565 /nfs/dbraw/zinc/33/55/65/1184335565.db2.gz ZKJYOUDJKRFLIA-UHFFFAOYSA-N 1 0 342.399 2.225 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)C(C)(C)C ZINC001482913894 1187840195 /nfs/dbraw/zinc/84/01/95/1187840195.db2.gz FKSXMFYQLJNKTP-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841892444 1188129104 /nfs/dbraw/zinc/12/91/04/1188129104.db2.gz YRXJFAUYLBIUAW-RYUDHWBXSA-N 1 0 327.812 2.135 10 5 EEBERO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](C)C[N@@H+]1CCO ZINC000842047653 1188244941 /nfs/dbraw/zinc/24/49/41/1188244941.db2.gz RHBJVOCZWVJDSM-MNOVXSKESA-N 1 0 336.417 2.096 10 5 EEBERO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC001626078875 1194324072 /nfs/dbraw/zinc/32/40/72/1194324072.db2.gz HUKPJKRPEQSVHU-UHFFFAOYSA-N 1 0 344.371 2.500 10 5 EEBERO C[C@H](NC[C@H]1CCC[N@@H+]1CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872076083 1198040345 /nfs/dbraw/zinc/04/03/45/1198040345.db2.gz XCSCLGHTPPNETH-QWHCGFSZSA-N 1 0 325.384 2.231 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1COCCN1C ZINC000872090168 1198044833 /nfs/dbraw/zinc/04/48/33/1198044833.db2.gz MYFLAOKSUBVWON-WCQYABFASA-N 1 0 325.434 2.298 10 5 EEBERO CCOC1CC2(C[C@@H]2[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000872250155 1198111190 /nfs/dbraw/zinc/11/11/90/1198111190.db2.gz FANKEVJELKXMTH-VXKCQOAXSA-N 1 0 333.388 2.471 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000865998518 1198449234 /nfs/dbraw/zinc/44/92/34/1198449234.db2.gz LFUVCKIZTGPKKV-NSHDSACASA-N 1 0 345.346 2.453 10 5 EEBERO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000809982684 1199175453 /nfs/dbraw/zinc/17/54/53/1199175453.db2.gz WRSWNEYIYIYNRL-SNVBAGLBSA-N 1 0 348.230 2.400 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)CC1(CO)CCCC1)C2 ZINC000878303280 1200386154 /nfs/dbraw/zinc/38/61/54/1200386154.db2.gz MKCNRPULBZPGHL-OAHLLOKOSA-N 1 0 334.416 2.257 10 5 EEBERO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850046 1200957427 /nfs/dbraw/zinc/95/74/27/1200957427.db2.gz SYJAXQMGTDANKY-RDTXWAMCSA-N 1 0 345.399 2.201 10 5 EEBERO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000870996943 1200998573 /nfs/dbraw/zinc/99/85/73/1200998573.db2.gz NRFBRDCXKXUDOC-KRWDZBQOSA-N 1 0 335.404 2.197 10 5 EEBERO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000866412418 1201510731 /nfs/dbraw/zinc/51/07/31/1201510731.db2.gz IVCPAOMIPRIAGY-WMLDXEAASA-N 1 0 333.432 2.407 10 5 EEBERO Cc1c(NC(=O)CCN2CC[NH2+]CCC2(C)C)cccc1[N+](=O)[O-] ZINC000866700439 1201583806 /nfs/dbraw/zinc/58/38/06/1201583806.db2.gz XTLXOYKUJAXGTA-UHFFFAOYSA-N 1 0 334.420 2.306 10 5 EEBERO CC(=O)N1CCC(OCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001276154180 1205803764 /nfs/dbraw/zinc/80/37/64/1205803764.db2.gz XLVFJNMLVYLSJC-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928104882 1206345122 /nfs/dbraw/zinc/34/51/22/1206345122.db2.gz XKNDATOBSCDZGY-RTWZZBQXSA-N 1 0 347.440 2.304 10 5 EEBERO CC[C@H](NC(=O)c1ccnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000900967537 1235058394 /nfs/dbraw/zinc/05/83/94/1235058394.db2.gz LNHCMUAIGWAYDL-HNNXBMFYSA-N 1 0 345.403 2.234 10 5 EEBERO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903272986 1240152595 /nfs/dbraw/zinc/15/25/95/1240152595.db2.gz SFPFCQHEJWCKMD-PJODQICGSA-N 1 0 336.461 2.407 10 5 EEBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000853990933 1292573364 /nfs/dbraw/zinc/57/33/64/1292573364.db2.gz YBKSTRAQPIXHIW-HNNXBMFYSA-N 1 0 335.404 2.344 10 5 EEBERO [NH3+]CC[C@@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764940 1293910750 /nfs/dbraw/zinc/91/07/50/1293910750.db2.gz FNLROGZRFOXGCL-NSHDSACASA-N 1 0 343.330 2.154 10 5 EEBERO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859226740 1294354831 /nfs/dbraw/zinc/35/48/31/1294354831.db2.gz UXWMLNVQCGODNP-UHFFFAOYSA-N 1 0 345.399 2.398 10 5 EEBERO CCc1ccc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861347239 1295352432 /nfs/dbraw/zinc/35/24/32/1295352432.db2.gz OASHCPAJQMAWDF-PBHICJAKSA-N 1 0 336.388 2.423 10 5 EEBERO Cc1cc([N+](=O)[O-])cnc1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001164349303 1321358340 /nfs/dbraw/zinc/35/83/40/1321358340.db2.gz AKRCWBKCTPOZFS-UHFFFAOYSA-N 1 0 334.420 2.115 10 5 EEBERO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262155600 1322249879 /nfs/dbraw/zinc/24/98/79/1322249879.db2.gz PVIHJYFPFGDNGT-RDJZCZTQSA-N 1 0 329.400 2.496 10 5 EEBERO Cn1ccc(C(=O)NCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001265824888 1323404511 /nfs/dbraw/zinc/40/45/11/1323404511.db2.gz JEWHBGIKPIWSRJ-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1 ZINC001327208223 1334246225 /nfs/dbraw/zinc/24/62/25/1334246225.db2.gz GORONVAHXIEAQI-QGZVFWFLSA-N 1 0 336.388 2.222 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001350616646 1337729120 /nfs/dbraw/zinc/72/91/20/1337729120.db2.gz QJGJZTIQJFFZPR-SNVBAGLBSA-N 1 0 341.799 2.436 10 5 EEBERO COCC[N@H+](CC(C)C)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475826 1338704969 /nfs/dbraw/zinc/70/49/69/1338704969.db2.gz SJNDFVHNJKNMSP-KRWDZBQOSA-N 1 0 349.431 2.473 10 5 EEBERO CC(C)[NH+]1CCC(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001358330525 1339040214 /nfs/dbraw/zinc/04/02/14/1339040214.db2.gz ZWDIXSFSAWFOAH-UHFFFAOYSA-N 1 0 349.387 2.197 10 5 EEBERO Cc1n[nH]c(C(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC001632159896 1352594109 /nfs/dbraw/zinc/59/41/09/1352594109.db2.gz JEVGLXNIFSDKHQ-CQSZACIVSA-N 1 0 349.435 2.353 10 5 EEBERO Nc1nccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c1[N+](=O)[O-] ZINC001635896319 1352654366 /nfs/dbraw/zinc/65/43/66/1352654366.db2.gz OPZBZXAPLQVTDQ-CYBMUJFWSA-N 1 0 347.419 2.099 10 5 EEBERO O=C(CC[N@@H+]1CC[C@H](F)C1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001636246761 1352661631 /nfs/dbraw/zinc/66/16/31/1352661631.db2.gz LDQUCKFFPDZNAU-NSHDSACASA-N 1 0 329.759 2.298 10 5 EEBERO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001651332519 1354049124 /nfs/dbraw/zinc/04/91/24/1354049124.db2.gz ZQCKAAMCPILMNY-GXTWGEPZSA-N 1 0 342.403 2.290 10 5 EEBERO O=[N+]([O-])c1c(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)nc2ccccn21 ZINC001652186060 1354080392 /nfs/dbraw/zinc/08/03/92/1354080392.db2.gz FBTHZTZDDPXGSU-CQSZACIVSA-N 1 0 339.355 2.099 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CCN1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001655069336 1354164398 /nfs/dbraw/zinc/16/43/98/1354164398.db2.gz KYOQWOGYGXPDQW-CVEARBPZSA-N 1 0 335.452 2.294 10 5 EEBERO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2cc[nH]c2c1 ZINC001659905527 1354389181 /nfs/dbraw/zinc/38/91/81/1354389181.db2.gz YZPSWHXUVFPSAH-UHFFFAOYSA-N 1 0 326.356 2.370 10 5 EEBERO C[N@H+](CCCNC(=O)c1ccc(F)cn1)Cc1cccc([N+](=O)[O-])c1 ZINC001660108039 1354397882 /nfs/dbraw/zinc/39/78/82/1354397882.db2.gz AXGDZEJLNGIWRD-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CNc1c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000913280715 788743279 /nfs/dbraw/zinc/74/32/79/788743279.db2.gz FVLIROGBZICLON-IRXDYDNUSA-N 1 0 332.404 2.050 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000845476626 789823510 /nfs/dbraw/zinc/82/35/10/789823510.db2.gz VTYJBKGWKIUFOB-KGLIPLIRSA-N 1 0 328.372 2.418 10 5 EEBERO [NH3+][C@H]1C[C@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000715114888 795244730 /nfs/dbraw/zinc/24/47/30/795244730.db2.gz ZPZLNMUVTSIJLW-XWEPSHTISA-N 1 0 347.156 2.349 10 5 EEBERO C[C@@]12CSC[C@@H]1C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC001176803431 798577625 /nfs/dbraw/zinc/57/76/25/798577625.db2.gz GGOHYXRAUNEVRC-XGWLTEMNSA-N 1 0 347.440 2.385 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)n1 ZINC001183509088 801632634 /nfs/dbraw/zinc/63/26/34/801632634.db2.gz PVDXFOFVLGTQFI-ZDUSSCGKSA-N 1 0 329.360 2.130 10 5 EEBERO CCCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC001480221781 1099838964 /nfs/dbraw/zinc/83/89/64/1099838964.db2.gz HHRZMTDVQLSQOU-BETUJISGSA-N 1 0 349.435 2.036 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1=COCCC1 ZINC001497359085 1102379265 /nfs/dbraw/zinc/37/92/65/1102379265.db2.gz RECNEUWSUZEQTC-UHFFFAOYSA-N 1 0 333.388 2.227 10 5 EEBERO Cn1cncc1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001460962836 1110330217 /nfs/dbraw/zinc/33/02/17/1110330217.db2.gz IEPVNJMPIKHOJB-KRWDZBQOSA-N 1 0 330.388 2.241 10 5 EEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001536776261 1123807101 /nfs/dbraw/zinc/80/71/01/1123807101.db2.gz NVTPEPHIEIFBQI-XNJGSVPQSA-N 1 0 349.456 2.486 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001544307359 1124147563 /nfs/dbraw/zinc/14/75/63/1124147563.db2.gz SDCJREJSGRUJHG-UHFFFAOYSA-N 1 0 344.375 2.014 10 5 EEBERO CCc1cc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001569258614 1125200932 /nfs/dbraw/zinc/20/09/32/1125200932.db2.gz BBQOXCJXAHZFAW-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630336 282116312 /nfs/dbraw/zinc/11/63/12/282116312.db2.gz AJVJXZFGEGXEOA-CQSZACIVSA-N 1 0 343.387 2.284 10 5 EEBERO O=C(NCC[NH+]1CCCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000040418455 213301246 /nfs/dbraw/zinc/30/12/46/213301246.db2.gz JUEXVUQSSCYPJY-UHFFFAOYSA-N 1 0 342.193 2.183 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000183471441 235096557 /nfs/dbraw/zinc/09/65/57/235096557.db2.gz BXJBGVUMPGDEFO-OAHLLOKOSA-N 1 0 327.388 2.452 10 5 EEBERO O=[N+]([O-])c1cc(F)ccc1Nc1cnn(C[C@H](O)C[NH+]2CCCC2)c1 ZINC000069772274 215570604 /nfs/dbraw/zinc/57/06/04/215570604.db2.gz RBNBHRNOAKAUAN-CQSZACIVSA-N 1 0 349.366 2.131 10 5 EEBERO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)CC(C)C ZINC000036832130 213120723 /nfs/dbraw/zinc/12/07/23/213120723.db2.gz JUZYZQWEZOEKAE-LBPRGKRZSA-N 1 0 337.424 2.257 10 5 EEBERO [NH3+]CC[C@@H]1CCCCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000070150298 215678351 /nfs/dbraw/zinc/67/83/51/215678351.db2.gz ZNDJCUIEPYLPLM-JTQLQIEISA-N 1 0 329.198 2.460 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451900869 243300267 /nfs/dbraw/zinc/30/02/67/243300267.db2.gz MIIWCZOLHKUNLO-SUMWQHHRSA-N 1 0 333.388 2.424 10 5 EEBERO COC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000452075014 243345474 /nfs/dbraw/zinc/34/54/74/243345474.db2.gz BOUMTDPCYADUNL-GDBMZVCRSA-N 1 0 338.404 2.083 10 5 EEBERO Cn1nccc1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137020142 223676715 /nfs/dbraw/zinc/67/67/15/223676715.db2.gz IUEKSMKPTUWMRA-KRWDZBQOSA-N 1 0 330.388 2.241 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000266079003 248081627 /nfs/dbraw/zinc/08/16/27/248081627.db2.gz XTRROSKVLIDHLW-UHFFFAOYSA-N 1 0 344.209 2.429 10 5 EEBERO CC[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000119051838 221232339 /nfs/dbraw/zinc/23/23/39/221232339.db2.gz NESJKFCUGPISTP-MRXNPFEDSA-N 1 0 349.431 2.097 10 5 EEBERO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000275877310 256384492 /nfs/dbraw/zinc/38/44/92/256384492.db2.gz PQICVJQMEMKKRA-HAQNSBGRSA-N 1 0 341.795 2.422 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(CCO)CCCCC1 ZINC000343434970 296516247 /nfs/dbraw/zinc/51/62/47/296516247.db2.gz WZCUGRWGOGIBHK-CQSZACIVSA-N 1 0 338.404 2.009 10 5 EEBERO Cc1ccc(NCCCNC(=O)NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000119732877 142375125 /nfs/dbraw/zinc/37/51/25/142375125.db2.gz OCXDOWADLLLNEG-AWEZNQCLSA-N 1 0 349.435 2.099 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)CC3CCCC3)C2)nc1 ZINC000190878367 152228655 /nfs/dbraw/zinc/22/86/55/152228655.db2.gz SOJRVJJEUKDSET-GOEBONIOSA-N 1 0 334.420 2.417 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+]2CCC1CC2 ZINC000188658843 160127034 /nfs/dbraw/zinc/12/70/34/160127034.db2.gz ZEAQRFNHNCUIIF-UHFFFAOYSA-N 1 0 326.356 2.063 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247265517 160317732 /nfs/dbraw/zinc/31/77/32/160317732.db2.gz FGVMAULNVUTWFM-SWLSCSKDSA-N 1 0 335.404 2.406 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000343051803 161098308 /nfs/dbraw/zinc/09/83/08/161098308.db2.gz FWAREEHUGPQXOI-UHFFFAOYSA-N 1 0 344.371 2.491 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000345649575 161319414 /nfs/dbraw/zinc/31/94/14/161319414.db2.gz VIHBODDAGLZVFH-MRXNPFEDSA-N 1 0 347.346 2.472 10 5 EEBERO C[NH+](C)C(C)(C)CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359070782 164050958 /nfs/dbraw/zinc/05/09/58/164050958.db2.gz ZMQHAGRFTPYFQQ-UHFFFAOYSA-N 1 0 331.319 2.266 10 5 EEBERO CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000360040975 164222472 /nfs/dbraw/zinc/22/24/72/164222472.db2.gz VRCBZPCJHSYTQF-UHFFFAOYSA-N 1 0 347.462 2.057 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375345962 167116979 /nfs/dbraw/zinc/11/69/79/167116979.db2.gz WNJMIKMWLOSLAP-INIZCTEOSA-N 1 0 349.387 2.043 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000122984123 222194487 /nfs/dbraw/zinc/19/44/87/222194487.db2.gz YKSXARXKUJGAQL-RYUDHWBXSA-N 1 0 339.367 2.054 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123163523 222227823 /nfs/dbraw/zinc/22/78/23/222227823.db2.gz SPZZYOWRJROEQC-CMPLNLGQSA-N 1 0 336.348 2.058 10 5 EEBERO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1[N+](=O)[O-] ZINC000271694494 268852241 /nfs/dbraw/zinc/85/22/41/268852241.db2.gz FWNQBBYATFDYMH-LLVKDONJSA-N 1 0 332.316 2.016 10 5 EEBERO O=C1[C@@H]([N@@H+]2CC[C@]3(C2)CCCOC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000341996954 275028262 /nfs/dbraw/zinc/02/82/62/275028262.db2.gz TXRPRLMNUKCDAE-WMZOPIPTSA-N 1 0 345.399 2.203 10 5 EEBERO CC[N@@H+]1CC[C@H]2OCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000293315736 293179323 /nfs/dbraw/zinc/17/93/23/293179323.db2.gz QOTBZQPVQSHGOP-JKSUJKDBSA-N 1 0 341.358 2.168 10 5 EEBERO Cc1c(NC(=O)NC[C@H](C)C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415660730 313163880 /nfs/dbraw/zinc/16/38/80/313163880.db2.gz PWVRGLJQYUVFJH-SSDOTTSWSA-N 1 0 345.197 2.382 10 5 EEBERO CC(C)(NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418776341 313904306 /nfs/dbraw/zinc/90/43/06/313904306.db2.gz XCSJDVMLEXHJOX-GFCCVEGCSA-N 1 0 342.346 2.126 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000517042911 316635227 /nfs/dbraw/zinc/63/52/27/316635227.db2.gz BWYUSIHPWHGMFJ-WMZOPIPTSA-N 1 0 342.395 2.482 10 5 EEBERO Cc1oc2ccccc2c1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566851693 319326770 /nfs/dbraw/zinc/32/67/70/319326770.db2.gz URSSPJQCWVSWOM-AWEZNQCLSA-N 1 0 344.371 2.039 10 5 EEBERO [NH3+]C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCCCCC1 ZINC000575059640 320083477 /nfs/dbraw/zinc/08/34/77/320083477.db2.gz CHNZOEATDVWBRG-UHFFFAOYSA-N 1 0 335.360 2.105 10 5 EEBERO COC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)o1 ZINC000580391121 324050923 /nfs/dbraw/zinc/05/09/23/324050923.db2.gz KCXXHWPJYOBHBB-UHFFFAOYSA-N 1 0 348.359 2.316 10 5 EEBERO C[C@@](CO)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000347738189 465199381 /nfs/dbraw/zinc/19/93/81/465199381.db2.gz OCPZMBUCIZYLON-KRWDZBQOSA-N 1 0 332.356 2.177 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590767522 468333668 /nfs/dbraw/zinc/33/36/68/468333668.db2.gz OVGDAHQYADHSND-NOZJJQNGSA-N 1 0 343.305 2.390 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134727036 463076406 /nfs/dbraw/zinc/07/64/06/463076406.db2.gz PWFLPVINDPAUDQ-SWLSCSKDSA-N 1 0 342.399 2.314 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000078524419 463124872 /nfs/dbraw/zinc/12/48/72/463124872.db2.gz WPPAHTAJVCFSKH-AWEZNQCLSA-N 1 0 330.388 2.036 10 5 EEBERO Cn1ccnc1CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137047424 463275439 /nfs/dbraw/zinc/27/54/39/463275439.db2.gz CZGXXVWOPVPXSM-QGZVFWFLSA-N 1 0 344.415 2.316 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000071892882 463459314 /nfs/dbraw/zinc/45/93/14/463459314.db2.gz JOAGIBWBUDIPKI-OAHLLOKOSA-N 1 0 338.477 2.258 10 5 EEBERO COc1ccc(CN(C)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1[N+](=O)[O-] ZINC000081651755 463477048 /nfs/dbraw/zinc/47/70/48/463477048.db2.gz MDOGBMTURNYCAE-LSDHHAIUSA-N 1 0 347.415 2.436 10 5 EEBERO CC[N@@H+]1CC[C@H]2OCCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@H]2C1 ZINC000292865934 464369420 /nfs/dbraw/zinc/36/94/20/464369420.db2.gz SQGCMTCBWODWQV-DLBZAZTESA-N 1 0 342.399 2.442 10 5 EEBERO CCOC(=O)c1ccnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)c1[N+](=O)[O-] ZINC000246417885 464581953 /nfs/dbraw/zinc/58/19/53/464581953.db2.gz HQQBZDMNDWSYML-OLZOCXBDSA-N 1 0 348.403 2.230 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000265919127 464733391 /nfs/dbraw/zinc/73/33/91/464733391.db2.gz BRQBOXUXZWSWRU-DZGCQCFKSA-N 1 0 344.415 2.491 10 5 EEBERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342432373 465320401 /nfs/dbraw/zinc/32/04/01/465320401.db2.gz FQVQNMYCRIBNAA-MEBBXXQBSA-N 1 0 341.358 2.214 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000342482198 465325068 /nfs/dbraw/zinc/32/50/68/465325068.db2.gz XZOQOEBVHCHLIP-NWDGAFQWSA-N 1 0 336.392 2.004 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000356972760 465670300 /nfs/dbraw/zinc/67/03/00/465670300.db2.gz FUGOUNZYIJUIAN-AWEZNQCLSA-N 1 0 347.415 2.449 10 5 EEBERO COc1ccc(OCC[N@@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000362449179 465747915 /nfs/dbraw/zinc/74/79/15/465747915.db2.gz HDZPLZDMBAGZDZ-ZFWWWQNUSA-N 1 0 336.388 2.483 10 5 EEBERO C[C@H](C[NH+]1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301093099 465899400 /nfs/dbraw/zinc/89/94/00/465899400.db2.gz LXBLFPYXJYUZDM-LLVKDONJSA-N 1 0 334.376 2.212 10 5 EEBERO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000338398679 466091748 /nfs/dbraw/zinc/09/17/48/466091748.db2.gz OXQVBQZZZGJLLF-GFCCVEGCSA-N 1 0 335.408 2.155 10 5 EEBERO C[C@H](NC(=O)N[C@@H]1CCc2[nH]cnc2C1)c1ccccc1[N+](=O)[O-] ZINC000357933164 466329463 /nfs/dbraw/zinc/32/94/63/466329463.db2.gz ISSJNEUDWBBUBR-WDEREUQCSA-N 1 0 329.360 2.236 10 5 EEBERO COC(=O)[C@@]1(OC)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000600191232 468490361 /nfs/dbraw/zinc/49/03/61/468490361.db2.gz KOHVQXSSYGSHSN-HOFZKYPUSA-N 1 0 334.372 2.262 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]CCn2nc3ccccn3c2=O)cc1[N+](=O)[O-] ZINC000358099587 466454248 /nfs/dbraw/zinc/45/42/48/466454248.db2.gz NVWCBNQUOLOCCO-ZDUSSCGKSA-N 1 0 341.371 2.063 10 5 EEBERO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000411262244 466796569 /nfs/dbraw/zinc/79/65/69/466796569.db2.gz QZLDNWJMNVHRLV-INIZCTEOSA-N 1 0 332.404 2.092 10 5 EEBERO [NH3+]CC[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])C(F)F ZINC000383389184 467380510 /nfs/dbraw/zinc/38/05/10/467380510.db2.gz OJTBIPHFMJMLHP-ZCFIWIBFSA-N 1 0 325.113 2.147 10 5 EEBERO CC(C)(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]cn1 ZINC000515545769 467996886 /nfs/dbraw/zinc/99/68/86/467996886.db2.gz VWDJWQOWNIQYJG-UHFFFAOYSA-N 1 0 341.371 2.436 10 5 EEBERO CC[N@H+](C)C[C@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503265 468157573 /nfs/dbraw/zinc/15/75/73/468157573.db2.gz NDWPCXYNTMUPDQ-CYBMUJFWSA-N 1 0 335.404 2.155 10 5 EEBERO COCC[N@@H+]1CCC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591911520 468564953 /nfs/dbraw/zinc/56/49/53/468564953.db2.gz IMBYYGBSCXCKQA-AWEZNQCLSA-N 1 0 334.420 2.391 10 5 EEBERO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510244 468612715 /nfs/dbraw/zinc/61/27/15/468612715.db2.gz KRQKBGJMRSTNHK-UPJWGTAASA-N 1 0 325.384 2.321 10 5 EEBERO C[C@]1(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594733282 468667220 /nfs/dbraw/zinc/66/72/20/468667220.db2.gz UERQCNUXQAOTLX-OCCSQVGLSA-N 1 0 330.331 2.360 10 5 EEBERO C[C@@H]1C[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000601119687 468748950 /nfs/dbraw/zinc/74/89/50/468748950.db2.gz VPGXXZXOMFFWQJ-BDAKNGLRSA-N 1 0 335.330 2.266 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601120754 468750011 /nfs/dbraw/zinc/75/00/11/468750011.db2.gz NFTXIQVAWCUSJB-CYBMUJFWSA-N 1 0 330.388 2.036 10 5 EEBERO COCc1n[nH]c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595066486 468752540 /nfs/dbraw/zinc/75/25/40/468752540.db2.gz HUOBGEPBNOHCGN-OCCSQVGLSA-N 1 0 345.403 2.360 10 5 EEBERO CC[N@@H+]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@@H](C)C1 ZINC000601173654 468770862 /nfs/dbraw/zinc/77/08/62/468770862.db2.gz GEIACTWYVHTYTJ-VIFPVBQESA-N 1 0 335.330 2.268 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000598162591 468782148 /nfs/dbraw/zinc/78/21/48/468782148.db2.gz JWGAJMPIWNQGDI-UHFFFAOYSA-N 1 0 346.412 2.352 10 5 EEBERO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000571905711 468856284 /nfs/dbraw/zinc/85/62/84/468856284.db2.gz YXUFEBLZCBEKCR-UHFFFAOYSA-N 1 0 332.404 2.398 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)[C@@H]2C1 ZINC000601596257 468931426 /nfs/dbraw/zinc/93/14/26/468931426.db2.gz VZFUWTRJITZGMV-XJKSGUPXSA-N 1 0 329.400 2.179 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CNc3ccccc3C1)OCCO2 ZINC000593314326 468935816 /nfs/dbraw/zinc/93/58/16/468935816.db2.gz CYIFLKKOBZNRHZ-AWEZNQCLSA-N 1 0 341.367 2.492 10 5 EEBERO Cn1ccnc1[C@@H](NCCC1(C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000593318537 468937377 /nfs/dbraw/zinc/93/73/77/468937377.db2.gz CYSNVBHAYKMJDP-HNNXBMFYSA-N 1 0 329.404 2.136 10 5 EEBERO C[C@H](O)C[N@@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000593468668 468993920 /nfs/dbraw/zinc/99/39/20/468993920.db2.gz DDVVAHOTVPYUBH-OLZOCXBDSA-N 1 0 330.388 2.034 10 5 EEBERO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595781554 469006543 /nfs/dbraw/zinc/00/65/43/469006543.db2.gz MCWPJMKAZDGAEF-QWHCGFSZSA-N 1 0 339.779 2.080 10 5 EEBERO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000595847736 469040522 /nfs/dbraw/zinc/04/05/22/469040522.db2.gz DXUFSGZMHNXKKC-XBXGTLAGSA-N 1 0 349.387 2.115 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864213 469052094 /nfs/dbraw/zinc/05/20/94/469052094.db2.gz RCHOESSWUJBTIG-YOEHRIQHSA-N 1 0 333.432 2.495 10 5 EEBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)[C@H]3CCCO3)cs2)c1 ZINC000598990392 469078612 /nfs/dbraw/zinc/07/86/12/469078612.db2.gz MVXCFQYZCOLKOD-LSDHHAIUSA-N 1 0 349.412 2.348 10 5 EEBERO NC(=O)[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000599003694 469084526 /nfs/dbraw/zinc/08/45/26/469084526.db2.gz LWEKTXLEPIDENT-XYPYZODXSA-N 1 0 332.385 2.072 10 5 EEBERO Nc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588004069 469102393 /nfs/dbraw/zinc/10/23/93/469102393.db2.gz TZWSTYFHWUQGDA-PXAZEXFGSA-N 1 0 346.431 2.122 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000601970786 469119362 /nfs/dbraw/zinc/11/93/62/469119362.db2.gz PVBBOMYZIOTAFV-CALCHBBNSA-N 1 0 333.388 2.065 10 5 EEBERO CCc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596029833 469122849 /nfs/dbraw/zinc/12/28/49/469122849.db2.gz CDXVEIHPSYBWAP-HUUCEWRRSA-N 1 0 345.378 2.490 10 5 EEBERO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596068555 469138534 /nfs/dbraw/zinc/13/85/34/469138534.db2.gz YYSKEVNRORURJF-FDQGKXFDSA-N 1 0 346.383 2.046 10 5 EEBERO CC[NH+]1CCN(CCNc2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596077222 469143232 /nfs/dbraw/zinc/14/32/32/469143232.db2.gz RDSFTLZEURSIDS-UHFFFAOYSA-N 1 0 342.827 2.306 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537381 469296407 /nfs/dbraw/zinc/29/64/07/469296407.db2.gz FAJYBOUTRNAXRU-CYBMUJFWSA-N 1 0 325.796 2.284 10 5 EEBERO C[C@H]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[NH2+]1 ZINC000599595033 469303119 /nfs/dbraw/zinc/30/31/19/469303119.db2.gz FNPGMSXNPTZRJJ-DTWKUNHWSA-N 1 0 344.318 2.458 10 5 EEBERO CCCc1[nH]nc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000609988970 469971854 /nfs/dbraw/zinc/97/18/54/469971854.db2.gz SGYNGVRFAZLKOQ-UHFFFAOYSA-N 1 0 341.331 2.103 10 5 EEBERO CN1CCC(CNc2cccnc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000610282716 470000155 /nfs/dbraw/zinc/00/01/55/470000155.db2.gz HVLURCZIQUHPBU-UHFFFAOYSA-N 1 0 333.436 2.352 10 5 EEBERO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000456894707 535673186 /nfs/dbraw/zinc/67/31/86/535673186.db2.gz HZUXQAHKSQLWQG-UHFFFAOYSA-N 1 0 348.447 2.049 10 5 EEBERO COCCOc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731679109 577116075 /nfs/dbraw/zinc/11/60/75/577116075.db2.gz WFQVSHPOSQKLPU-SFHVURJKSA-N 1 0 346.383 2.443 10 5 EEBERO C/C(=C/C(=O)NC[C@@H](C)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752423330 577770784 /nfs/dbraw/zinc/77/07/84/577770784.db2.gz MUNCOHJEZSVOAR-ADVGAGMGSA-N 1 0 347.415 2.083 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000747221259 577941022 /nfs/dbraw/zinc/94/10/22/577941022.db2.gz BQDZMRMFWKPTDQ-UHFFFAOYSA-N 1 0 341.383 2.026 10 5 EEBERO Cc1ccccc1[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000741782294 578124009 /nfs/dbraw/zinc/12/40/09/578124009.db2.gz YAYBMVVWMUECFQ-QGZVFWFLSA-N 1 0 342.399 2.154 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000924385323 676887004 /nfs/dbraw/zinc/88/70/04/676887004.db2.gz ZVLQXYGCLXWVBD-UHFFFAOYSA-N 1 0 349.435 2.003 10 5 EEBERO Cc1c(Br)c(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000261861733 681843920 /nfs/dbraw/zinc/84/39/20/681843920.db2.gz XXMNCMFEOGNIKL-IVZWLZJFSA-N 1 0 341.209 2.234 10 5 EEBERO CCC[N@H+](CCNC(=O)c1n[nH]cc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001266571253 1176865484 /nfs/dbraw/zinc/86/54/84/1176865484.db2.gz MQPXOGPMYWEODJ-UHFFFAOYSA-N 1 0 349.366 2.099 10 5 EEBERO COCC(C)(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001266701438 1177226358 /nfs/dbraw/zinc/22/63/58/1177226358.db2.gz SDVXYQKWDVFBPK-GASCZTMLSA-N 1 0 349.431 2.394 10 5 EEBERO C/C(=C/C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)C1CC1 ZINC001266898963 1177752987 /nfs/dbraw/zinc/75/29/87/1177752987.db2.gz KICGURSBZZEVLT-VZDLTHNZSA-N 1 0 341.411 2.498 10 5 EEBERO Cc1ccoc1CC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480910681 1178068847 /nfs/dbraw/zinc/06/88/47/1178068847.db2.gz IFQFYFGKIFVYHN-UHFFFAOYSA-N 1 0 331.372 2.287 10 5 EEBERO CCc1ncoc1C(=O)NCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001267251590 1178618779 /nfs/dbraw/zinc/61/87/79/1178618779.db2.gz LBPNIINESSSQPU-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C1 ZINC001649116502 1193524868 /nfs/dbraw/zinc/52/48/68/1193524868.db2.gz YGWOSWQPMGZDQD-SNVBAGLBSA-N 1 0 327.331 2.348 10 5 EEBERO CCN(CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])S(C)(=O)=O ZINC000872024825 1198027861 /nfs/dbraw/zinc/02/78/61/1198027861.db2.gz WETQSVYTRKHFIR-LLVKDONJSA-N 1 0 347.412 2.056 10 5 EEBERO O=C(CC[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)Nc1ccccc1[N+](=O)[O-] ZINC000872245859 1198109007 /nfs/dbraw/zinc/10/90/07/1198109007.db2.gz FRJKRMQIDFEOQZ-WWGRRREGSA-N 1 0 333.388 2.471 10 5 EEBERO CC1(C)[C@H]2[C@H](CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1O ZINC000872260809 1198116262 /nfs/dbraw/zinc/11/62/62/1198116262.db2.gz ZVZRBKRGKZJUMJ-VUCTXSBTSA-N 1 0 347.415 2.405 10 5 EEBERO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc2)CC1 ZINC000814041201 1199270282 /nfs/dbraw/zinc/27/02/82/1199270282.db2.gz QKGWAOLIIYMTRW-CQSZACIVSA-N 1 0 335.404 2.039 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)C[C@H]1CCCC[N@@H+]1C ZINC000870786205 1200878064 /nfs/dbraw/zinc/87/80/64/1200878064.db2.gz ACJLYZFMJGGMNE-GXTWGEPZSA-N 1 0 338.408 2.296 10 5 EEBERO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCOC1 ZINC000812878919 1200966123 /nfs/dbraw/zinc/96/61/23/1200966123.db2.gz KAKVSMALZBKJOV-LBPRGKRZSA-N 1 0 325.340 2.173 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866205567 1201464710 /nfs/dbraw/zinc/46/47/10/1201464710.db2.gz FSJMQQVMWDOMNY-HUUCEWRRSA-N 1 0 346.431 2.263 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000866207888 1201465403 /nfs/dbraw/zinc/46/54/03/1201465403.db2.gz YKLPCBFQUMGLPU-JOYOIKCWSA-N 1 0 341.209 2.283 10 5 EEBERO Cc1c(NC(=O)CCN2CCC[C@H]3[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000866720597 1201589467 /nfs/dbraw/zinc/58/94/67/1201589467.db2.gz GRCOIELLVBCQGG-ZBFHGGJFSA-N 1 0 332.404 2.058 10 5 EEBERO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000882485483 1201880356 /nfs/dbraw/zinc/88/03/56/1201880356.db2.gz SYJQKZJZMFQSHM-CMPLNLGQSA-N 1 0 341.795 2.226 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CC3(CCC3)CO1)OCCO2 ZINC000886288507 1202488168 /nfs/dbraw/zinc/48/81/68/1202488168.db2.gz AUGURLWBEKZLDD-ZDUSSCGKSA-N 1 0 334.372 2.415 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncc[nH]1 ZINC001275667988 1205474736 /nfs/dbraw/zinc/47/47/36/1205474736.db2.gz BCAQYQXXUXYBGS-UHFFFAOYSA-N 1 0 345.403 2.206 10 5 EEBERO O=C(CC[N@@H+]1CC[C@H](OC(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801988512 1236614144 /nfs/dbraw/zinc/61/41/44/1236614144.db2.gz FASSCUGUBRQDMF-JTQLQIEISA-N 1 0 347.293 2.376 10 5 EEBERO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850498253 1277250427 /nfs/dbraw/zinc/25/04/27/1277250427.db2.gz YYDPSYNYUUIOTQ-QSIZCVBASA-N 1 0 339.339 2.139 10 5 EEBERO Cc1nc(CC2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001198000562 1284921690 /nfs/dbraw/zinc/92/16/90/1284921690.db2.gz HPRXGDSOEKQGHQ-INIZCTEOSA-N 1 0 346.387 2.274 10 5 EEBERO Nc1ccc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000853794190 1292455786 /nfs/dbraw/zinc/45/57/86/1292455786.db2.gz FSMSUBMGWBYGAW-INIZCTEOSA-N 1 0 342.399 2.356 10 5 EEBERO O=[N+]([O-])c1ccc2nc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)sc2c1 ZINC000853965089 1292560249 /nfs/dbraw/zinc/56/02/49/1292560249.db2.gz DPOUNGFAKVVKPC-ZDUSSCGKSA-N 1 0 348.428 2.240 10 5 EEBERO O=C(Cc1cscn1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001277190020 1301735551 /nfs/dbraw/zinc/73/55/51/1301735551.db2.gz VFAARRKYHCDHOJ-UHFFFAOYSA-N 1 0 346.412 2.032 10 5 EEBERO C[C@@]12COC[C@@H]1C[N@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C2 ZINC001118594292 1308894113 /nfs/dbraw/zinc/89/41/13/1308894113.db2.gz YAUFTVFSDFXCHX-DOTOQJQBSA-N 1 0 328.372 2.384 10 5 EEBERO O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247436 1314582432 /nfs/dbraw/zinc/58/24/32/1314582432.db2.gz NHLNTWABRPKELZ-QGZVFWFLSA-N 1 0 345.399 2.201 10 5 EEBERO CC[C@@H]1[C@@H](CO)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839610605 1315219663 /nfs/dbraw/zinc/21/96/63/1315219663.db2.gz OYGIRJKRZGAGGR-ZWNOBZJWSA-N 1 0 341.795 2.280 10 5 EEBERO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001154879350 1317367238 /nfs/dbraw/zinc/36/72/38/1317367238.db2.gz CBPUWZDRPCEEPV-CQSZACIVSA-N 1 0 346.431 2.482 10 5 EEBERO COc1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)cc([N+](=O)[O-])c1C ZINC001299820296 1330168087 /nfs/dbraw/zinc/16/80/87/1330168087.db2.gz DXSGCJHCERJHBS-CABCVRRESA-N 1 0 335.404 2.370 10 5 EEBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1nccs1 ZINC001317557613 1332297012 /nfs/dbraw/zinc/29/70/12/1332297012.db2.gz FEQRKGFQAGVNHS-UHFFFAOYSA-N 1 0 346.412 2.446 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc[nH]1 ZINC001320921610 1332979771 /nfs/dbraw/zinc/97/97/71/1332979771.db2.gz PKJPDDLUIZVQIU-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnsn1 ZINC001327186214 1334243127 /nfs/dbraw/zinc/24/31/27/1334243127.db2.gz ALJUOZLNZKQGNZ-UHFFFAOYSA-N 1 0 349.416 2.040 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCC2 ZINC001328119494 1334400453 /nfs/dbraw/zinc/40/04/53/1334400453.db2.gz MWGDMHNAAMMTAU-KGLIPLIRSA-N 1 0 332.404 2.144 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000847338249 1337955589 /nfs/dbraw/zinc/95/55/89/1337955589.db2.gz ZYWXEOAUKAEQJL-GSJFWJNXSA-N 1 0 340.811 2.388 10 5 EEBERO CC[N@@H+]1CCC[C@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001472889119 1338660480 /nfs/dbraw/zinc/66/04/80/1338660480.db2.gz OSRKACUTQBLFIE-NSHDSACASA-N 1 0 345.359 2.369 10 5 EEBERO CC[N@H+](CCNC(=O)c1coc(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663372770 1354954634 /nfs/dbraw/zinc/95/46/34/1354954634.db2.gz UZCWMPPWQGSIHE-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC001567356147 1342743854 /nfs/dbraw/zinc/74/38/54/1342743854.db2.gz OCTWWXARYJAZRG-CQSZACIVSA-N 1 0 334.420 2.020 10 5 EEBERO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1(C)C ZINC001627284289 1352490412 /nfs/dbraw/zinc/49/04/12/1352490412.db2.gz FQVQFERIRLMGSW-RYUDHWBXSA-N 1 0 340.811 2.289 10 5 EEBERO O=[N+]([O-])c1c(N2CC[NH2+][C@@H](c3ccccc3)C2)nc2sccn21 ZINC001643213846 1352742903 /nfs/dbraw/zinc/74/29/03/1352742903.db2.gz OFIKCNVPFMQQFH-GFCCVEGCSA-N 1 0 329.385 2.455 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001654027246 1354138366 /nfs/dbraw/zinc/13/83/66/1354138366.db2.gz NGRYDORPSFUUDG-MRXNPFEDSA-N 1 0 334.420 2.340 10 5 EEBERO CCCc1cc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001663309391 1354946375 /nfs/dbraw/zinc/94/63/75/1354946375.db2.gz TXSHYQKVYODYGJ-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ncccc1F ZINC001668596885 1355969464 /nfs/dbraw/zinc/96/94/64/1355969464.db2.gz LIZQVTDAGMQGIA-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO Cc1ccc(F)cc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673434203 1356690031 /nfs/dbraw/zinc/69/00/31/1356690031.db2.gz ILYMBTNVFXREFU-HZPDHXFCSA-N 1 0 337.395 2.080 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001129186448 784609682 /nfs/dbraw/zinc/60/96/82/784609682.db2.gz YESSFWOTJIKNHS-ZOWXZIJZSA-N 1 0 335.429 2.238 10 5 EEBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000912598296 788254841 /nfs/dbraw/zinc/25/48/41/788254841.db2.gz FJTNZWKVPGRZSP-ZIAGYGMSSA-N 1 0 335.379 2.265 10 5 EEBERO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913273063 788748381 /nfs/dbraw/zinc/74/83/81/788748381.db2.gz CKDQNLZVWPGDFU-IRXDYDNUSA-N 1 0 335.379 2.456 10 5 EEBERO COc1cc(C(=O)N2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000913389420 788821656 /nfs/dbraw/zinc/82/16/56/788821656.db2.gz DYZOQBARYUHERB-UHFFFAOYSA-N 1 0 339.367 2.299 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385278 788833409 /nfs/dbraw/zinc/83/34/09/788833409.db2.gz VVCCEKSBLZCZMX-LLVKDONJSA-N 1 0 329.759 2.488 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923535808 789746229 /nfs/dbraw/zinc/74/62/29/789746229.db2.gz CHDYEVSVRWZYNB-CXAGYDPISA-N 1 0 332.404 2.140 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845494532 789814671 /nfs/dbraw/zinc/81/46/71/789814671.db2.gz DITBDXMFAFRFIZ-JTQLQIEISA-N 1 0 331.775 2.280 10 5 EEBERO Cc1[nH]c(C)c(Cn2cc([N+](=O)[O-])c(C)c(Br)c2=O)[nH+]1 ZINC000917467330 798240182 /nfs/dbraw/zinc/24/01/82/798240182.db2.gz DWDQRMWURFCPMB-UHFFFAOYSA-N 1 0 341.165 2.216 10 5 EEBERO CCOc1ccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000823387186 798725939 /nfs/dbraw/zinc/72/59/39/798725939.db2.gz OIBBZOCJYVIUOH-ROUUACIJSA-N 1 0 347.415 2.407 10 5 EEBERO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001177806532 799131811 /nfs/dbraw/zinc/13/18/11/799131811.db2.gz VVADBCZAYNRBSS-GFCCVEGCSA-N 1 0 347.350 2.308 10 5 EEBERO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1(C(F)F)CC1 ZINC001480204394 1099806745 /nfs/dbraw/zinc/80/67/45/1099806745.db2.gz IIOAVOIVTWXTMY-AOOOYVTPSA-N 1 0 345.371 2.438 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccncc1 ZINC001498504731 1107647498 /nfs/dbraw/zinc/64/74/98/1107647498.db2.gz LDADANIXPNNFDA-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO Cc1c[nH]nc1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001493371518 1108006762 /nfs/dbraw/zinc/00/67/62/1108006762.db2.gz YWCZJHJHFKZEBR-UHFFFAOYSA-N 1 0 343.387 2.021 10 5 EEBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001464098031 1110387491 /nfs/dbraw/zinc/38/74/91/1110387491.db2.gz DIECYWWQTRSQAJ-CQSZACIVSA-N 1 0 334.420 2.243 10 5 EEBERO Cc1c(C(=O)N2CCC([NH+]3CCC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001470332586 1110504852 /nfs/dbraw/zinc/50/48/52/1110504852.db2.gz JCHNOQZWXKFREM-UHFFFAOYSA-N 1 0 348.359 2.122 10 5 EEBERO CC[N@@H+]1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001471466331 1110522783 /nfs/dbraw/zinc/52/27/83/1110522783.db2.gz VDRYCOJWWAQAIU-UONOGXRCSA-N 1 0 334.420 2.434 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001519930345 1119114925 /nfs/dbraw/zinc/11/49/25/1119114925.db2.gz IRSNGUCAZHEYGX-BHYGNILZSA-N 1 0 346.431 2.119 10 5 EEBERO O=C(Cc1ccco1)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568937463 1124969214 /nfs/dbraw/zinc/96/92/14/1124969214.db2.gz LSZNTDJJWHUZEW-ARJAWSKDSA-N 1 0 329.356 2.193 10 5 EEBERO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000174104844 231122141 /nfs/dbraw/zinc/12/21/41/231122141.db2.gz GRDDVEOAGGPYDK-CZUORRHYSA-N 1 0 330.388 2.312 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000129578868 223071988 /nfs/dbraw/zinc/07/19/88/223071988.db2.gz DKLUJLJMGHYATP-LLVKDONJSA-N 1 0 331.294 2.390 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397070 239804240 /nfs/dbraw/zinc/80/42/40/239804240.db2.gz MFIRGDSGSRPALX-PBHICJAKSA-N 1 0 346.431 2.306 10 5 EEBERO Cc1c(F)cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000193287243 240090113 /nfs/dbraw/zinc/09/01/13/240090113.db2.gz AEYRVGGQMXHWDU-CQSZACIVSA-N 1 0 347.412 2.084 10 5 EEBERO COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423962578 240762408 /nfs/dbraw/zinc/76/24/08/240762408.db2.gz OQWPEFMYFQHMEO-UONOGXRCSA-N 1 0 333.388 2.208 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000094013479 218260551 /nfs/dbraw/zinc/26/05/51/218260551.db2.gz DINBXCHXFZXTDX-UHFFFAOYSA-N 1 0 349.431 2.362 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267450387 256060139 /nfs/dbraw/zinc/06/01/39/256060139.db2.gz FRLWLIIAUWJLHW-UHFFFAOYSA-N 1 0 344.209 2.429 10 5 EEBERO CC[NH+](CC)Cc1ccc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000270738368 256166220 /nfs/dbraw/zinc/16/62/20/256166220.db2.gz FNZRJYMKJNSGFB-UHFFFAOYSA-N 1 0 345.403 2.100 10 5 EEBERO CC[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000270923056 256188305 /nfs/dbraw/zinc/18/83/05/256188305.db2.gz JLHCRFVYBNXWKA-XJKSGUPXSA-N 1 0 335.404 2.130 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195070655 160206020 /nfs/dbraw/zinc/20/60/20/160206020.db2.gz PUDKPJIDVLXFEZ-CQSZACIVSA-N 1 0 332.404 2.094 10 5 EEBERO Cc1c(NC(=O)CCN2CC[N@@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000246205696 160267546 /nfs/dbraw/zinc/26/75/46/160267546.db2.gz OFWYSFUBGSJOBP-HNNXBMFYSA-N 1 0 346.431 2.402 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000247081157 160309690 /nfs/dbraw/zinc/30/96/90/160309690.db2.gz ZJHLIHASBSSJPQ-KGLIPLIRSA-N 1 0 333.388 2.302 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000247536925 160328244 /nfs/dbraw/zinc/32/82/44/160328244.db2.gz XSSMWXILGIMXHR-JSGCOSHPSA-N 1 0 335.404 2.406 10 5 EEBERO CC(C)N(CC[NH+](C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342725360 161086252 /nfs/dbraw/zinc/08/62/52/161086252.db2.gz VDQZZLHOUFXPDP-UHFFFAOYSA-N 1 0 329.347 2.214 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359038365 164042726 /nfs/dbraw/zinc/04/27/26/164042726.db2.gz HFNIJEQOAITBPO-JTQLQIEISA-N 1 0 329.303 2.020 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368320523 166087647 /nfs/dbraw/zinc/08/76/47/166087647.db2.gz YQTPMVVUXWSSJN-APWZRJJASA-N 1 0 346.475 2.361 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123006024 222197833 /nfs/dbraw/zinc/19/78/33/222197833.db2.gz BLXZPBLWLPQATP-KBPBESRZSA-N 1 0 335.404 2.305 10 5 EEBERO COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000277876330 269193789 /nfs/dbraw/zinc/19/37/89/269193789.db2.gz CCEZZKLIWIZVDM-GFCCVEGCSA-N 1 0 341.795 2.007 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](C2CCOCC2)CC1 ZINC000291787499 275340275 /nfs/dbraw/zinc/34/02/75/275340275.db2.gz CZHBEWJYNLSSFJ-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H]1C[NH3+] ZINC000093434377 277698956 /nfs/dbraw/zinc/69/89/56/277698956.db2.gz QSNURUHVVYMACT-LDYMZIIASA-N 1 0 329.198 2.316 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292885158 293068682 /nfs/dbraw/zinc/06/86/82/293068682.db2.gz VHGHKUXYHYFBPB-QGZVFWFLSA-N 1 0 348.403 2.007 10 5 EEBERO C[C@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1[NH3+] ZINC000297379915 294228238 /nfs/dbraw/zinc/22/82/38/294228238.db2.gz MUWFIHQOEOSUPU-DCGLDWPTSA-N 1 0 334.420 2.371 10 5 EEBERO Cc1nc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000297540953 294273933 /nfs/dbraw/zinc/27/39/33/294273933.db2.gz PYVHFFDMUCFVIF-OAHLLOKOSA-N 1 0 327.388 2.404 10 5 EEBERO CC1CC[NH+](CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298746322 294576298 /nfs/dbraw/zinc/57/62/98/294576298.db2.gz YVPYATWFBWAPHG-UHFFFAOYSA-N 1 0 335.408 2.013 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423408762 297110233 /nfs/dbraw/zinc/11/02/33/297110233.db2.gz XXLNHONINMFHIE-WQVCFCJDSA-N 1 0 329.404 2.005 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418558489 313846686 /nfs/dbraw/zinc/84/66/86/313846686.db2.gz QBAPTLFQSGVDRW-WBMJQRKESA-N 1 0 332.404 2.267 10 5 EEBERO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420349452 313946454 /nfs/dbraw/zinc/94/64/54/313946454.db2.gz PAIPSGHZXQDNQH-TXEJJXNPSA-N 1 0 338.795 2.013 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)n1 ZINC000427262903 314465868 /nfs/dbraw/zinc/46/58/68/314465868.db2.gz NSIBFKGQIBUSLI-UHFFFAOYSA-N 1 0 347.375 2.004 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000434497093 314843356 /nfs/dbraw/zinc/84/33/56/314843356.db2.gz LYDRMYQTYTVBGR-MRXNPFEDSA-N 1 0 348.378 2.113 10 5 EEBERO C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444285886 315288225 /nfs/dbraw/zinc/28/82/25/315288225.db2.gz HPYVHUPFHYUGES-FRRDWIJNSA-N 1 0 332.404 2.136 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000565834408 319219019 /nfs/dbraw/zinc/21/90/19/319219019.db2.gz MTKYYOADSKKNPY-QGZVFWFLSA-N 1 0 340.383 2.091 10 5 EEBERO COc1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000578304416 320306071 /nfs/dbraw/zinc/30/60/71/320306071.db2.gz KARMJYPHPZHPBS-MRXNPFEDSA-N 1 0 334.376 2.211 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611710717 449390825 /nfs/dbraw/zinc/39/08/25/449390825.db2.gz NLQSEKINNPFYSF-CYBMUJFWSA-N 1 0 331.376 2.061 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113268988 462583143 /nfs/dbraw/zinc/58/31/43/462583143.db2.gz BDXGPMUBGQHVGJ-HOCLYGCPSA-N 1 0 346.431 2.400 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000089602741 462697189 /nfs/dbraw/zinc/69/71/89/462697189.db2.gz OBMPLSLSLIQMKQ-LBPRGKRZSA-N 1 0 339.367 2.408 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000552169166 468314468 /nfs/dbraw/zinc/31/44/68/468314468.db2.gz HHTOEDKFLCMBRV-UHFFFAOYSA-N 1 0 334.420 2.341 10 5 EEBERO CCOC(=O)c1ccnc(NCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000077928862 463072785 /nfs/dbraw/zinc/07/27/85/463072785.db2.gz MKMDLWMBEFFQQO-GFCCVEGCSA-N 1 0 336.392 2.453 10 5 EEBERO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])nc1 ZINC000491270838 468338122 /nfs/dbraw/zinc/33/81/22/468338122.db2.gz KFQBEMYAWVLGHF-SFHVURJKSA-N 1 0 342.399 2.063 10 5 EEBERO CNc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1[N+](=O)[O-] ZINC000071792535 463425639 /nfs/dbraw/zinc/42/56/39/463425639.db2.gz JENLHWBHZBHTJC-CQSZACIVSA-N 1 0 342.403 2.185 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525535 464276594 /nfs/dbraw/zinc/27/65/94/464276594.db2.gz UYBICOMAETYGAQ-KBPBESRZSA-N 1 0 337.420 2.397 10 5 EEBERO CCO[C@@H](C)c1nc(CN(C)CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000174877736 464462619 /nfs/dbraw/zinc/46/26/19/464462619.db2.gz LNOFTEIEAOXEHJ-NSHDSACASA-N 1 0 339.421 2.477 10 5 EEBERO COC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000285427354 464559817 /nfs/dbraw/zinc/55/98/17/464559817.db2.gz WEYLCTPLMDNTIG-UHFFFAOYSA-N 1 0 329.356 2.451 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276533474 464968882 /nfs/dbraw/zinc/96/88/82/464968882.db2.gz CELQPHQOLNHWJA-CQSZACIVSA-N 1 0 330.388 2.036 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000177424018 465011147 /nfs/dbraw/zinc/01/11/47/465011147.db2.gz FOTCOEYPMVCWOW-INIZCTEOSA-N 1 0 334.420 2.263 10 5 EEBERO [NH3+]CC1(CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000593914452 468431399 /nfs/dbraw/zinc/43/13/99/468431399.db2.gz LRDUHVDAWXARPC-UHFFFAOYSA-N 1 0 346.431 2.056 10 5 EEBERO Cc1c(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000359540331 465442351 /nfs/dbraw/zinc/44/23/51/465442351.db2.gz HMCAESZWDZJZFN-OAHLLOKOSA-N 1 0 332.404 2.281 10 5 EEBERO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091540 468439778 /nfs/dbraw/zinc/43/97/78/468439778.db2.gz CLRYKKLVSCSHGC-SNVBAGLBSA-N 1 0 341.799 2.388 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000366598050 465825537 /nfs/dbraw/zinc/82/55/37/465825537.db2.gz NFEJREREMOWTCY-CJNGLKHVSA-N 1 0 340.383 2.383 10 5 EEBERO CC[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331118207 465942163 /nfs/dbraw/zinc/94/21/63/465942163.db2.gz LJBOJTZYXXQYHP-UHFFFAOYSA-N 1 0 327.331 2.016 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000353625796 466021021 /nfs/dbraw/zinc/02/10/21/466021021.db2.gz GXHMDSBOMIHAIE-YPMHNXCESA-N 1 0 343.387 2.182 10 5 EEBERO CCOC(=O)c1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000600161914 468480460 /nfs/dbraw/zinc/48/04/60/468480460.db2.gz QFIIGFPLFSORRE-UHFFFAOYSA-N 1 0 344.371 2.132 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000350746623 466594994 /nfs/dbraw/zinc/59/49/94/466594994.db2.gz LXNBADJKRNBSKW-HYXAFXHYSA-N 1 0 338.429 2.413 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397073 467393679 /nfs/dbraw/zinc/39/36/79/467393679.db2.gz MFIRGDSGSRPALX-YOEHRIQHSA-N 1 0 346.431 2.306 10 5 EEBERO O=C(CC[N@H+]1CC[C@@H](O)CC12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000420989288 467527005 /nfs/dbraw/zinc/52/70/05/467527005.db2.gz BXWSDKRKXTTZBB-OAHLLOKOSA-N 1 0 333.388 2.303 10 5 EEBERO CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000448961047 467608132 /nfs/dbraw/zinc/60/81/32/467608132.db2.gz LTRYSNJQJPGXLZ-INIZCTEOSA-N 1 0 345.399 2.253 10 5 EEBERO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589511588 468158034 /nfs/dbraw/zinc/15/80/34/468158034.db2.gz WSEZDCUWPPTTDW-MNOVXSKESA-N 1 0 338.360 2.059 10 5 EEBERO CC[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000594307994 468547638 /nfs/dbraw/zinc/54/76/38/468547638.db2.gz HRYWXJOESLDHCH-HNNXBMFYSA-N 1 0 345.403 2.234 10 5 EEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594451117 468593876 /nfs/dbraw/zinc/59/38/76/468593876.db2.gz KOXOJYILWXFRRR-JTQLQIEISA-N 1 0 337.323 2.326 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594524863 468615577 /nfs/dbraw/zinc/61/55/77/468615577.db2.gz MFPQEUUBFZGJGI-LDYMZIIASA-N 1 0 334.298 2.153 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594524862 468616033 /nfs/dbraw/zinc/61/60/33/468616033.db2.gz MFPQEUUBFZGJGI-KWQFWETISA-N 1 0 334.298 2.153 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000594592774 468629768 /nfs/dbraw/zinc/62/97/68/468629768.db2.gz WPVZJFLDAPYRPV-VDISTLRHSA-N 1 0 332.404 2.239 10 5 EEBERO COC(=O)c1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000594617787 468637551 /nfs/dbraw/zinc/63/75/51/468637551.db2.gz YSDJSULXNMWDSQ-UHFFFAOYSA-N 1 0 334.328 2.451 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000600795559 468659869 /nfs/dbraw/zinc/65/98/69/468659869.db2.gz ZDJLNNVZOAFNGK-GOSISDBHSA-N 1 0 328.368 2.458 10 5 EEBERO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859511 468696312 /nfs/dbraw/zinc/69/63/12/468696312.db2.gz DZQCABLICXYPFT-CYBMUJFWSA-N 1 0 335.404 2.271 10 5 EEBERO C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1CC(C)(C)O ZINC000583627467 468731330 /nfs/dbraw/zinc/73/13/30/468731330.db2.gz CXQPJJLUBXGREU-CYBMUJFWSA-N 1 0 348.447 2.150 10 5 EEBERO COC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594978179 468737372 /nfs/dbraw/zinc/73/73/72/468737372.db2.gz QPTJITYPXBDIMN-CQSZACIVSA-N 1 0 344.314 2.282 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601129703 468753764 /nfs/dbraw/zinc/75/37/64/468753764.db2.gz WUWCLPWLKSQJDB-CQSZACIVSA-N 1 0 331.416 2.475 10 5 EEBERO CCC[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000601135910 468755985 /nfs/dbraw/zinc/75/59/85/468755985.db2.gz LMXORVMVXYCCKK-CYBMUJFWSA-N 1 0 326.372 2.066 10 5 EEBERO C[NH2+]C[C@H](C)NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595232373 468789539 /nfs/dbraw/zinc/78/95/39/468789539.db2.gz YXTZZFOFNKMBBG-ZETCQYMHSA-N 1 0 331.170 2.087 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595268771 468797131 /nfs/dbraw/zinc/79/71/31/468797131.db2.gz KQDGQIFNYDVEQD-QZTJIDSGSA-N 1 0 339.395 2.399 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)C2CCCCC2)c1 ZINC000593022963 468843196 /nfs/dbraw/zinc/84/31/96/468843196.db2.gz MFCNAXFDKDGOTN-OAHLLOKOSA-N 1 0 336.388 2.412 10 5 EEBERO COC(=O)c1ccnc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598596646 468927090 /nfs/dbraw/zinc/92/70/90/468927090.db2.gz RCGJZLPABVHSAC-RYUDHWBXSA-N 1 0 336.392 2.451 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595826981 469029414 /nfs/dbraw/zinc/02/94/14/469029414.db2.gz BPAFWOJFOVGOGV-MJBXVCDLSA-N 1 0 333.388 2.199 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595930023 469087582 /nfs/dbraw/zinc/08/75/82/469087582.db2.gz MCVRRSWFWPHRJB-WCQYABFASA-N 1 0 343.387 2.194 10 5 EEBERO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000599072274 469106693 /nfs/dbraw/zinc/10/66/93/469106693.db2.gz IDWBQOKPIYEAEL-ZDUSSCGKSA-N 1 0 344.415 2.424 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000562981578 469121490 /nfs/dbraw/zinc/12/14/90/469121490.db2.gz VBSVPDKUJCDJHO-CABCVRRESA-N 1 0 346.362 2.029 10 5 EEBERO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179595 469151289 /nfs/dbraw/zinc/15/12/89/469151289.db2.gz JBHUWWJPDOPEOU-WCBMZHEXSA-N 1 0 329.198 2.329 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([N@@H+]3CCCOCC3)CC2)n1 ZINC000596268174 469226872 /nfs/dbraw/zinc/22/68/72/469226872.db2.gz HHUSEDAGXMUKGZ-UHFFFAOYSA-N 1 0 334.420 2.298 10 5 EEBERO Cc1cc(N[C@@H]2CC[C@H](C)S(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596464162 469275263 /nfs/dbraw/zinc/27/52/63/469275263.db2.gz GZXCETKOEDLBLX-NWDGAFQWSA-N 1 0 349.412 2.251 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000599622632 469312709 /nfs/dbraw/zinc/31/27/09/469312709.db2.gz MKSRWWKRFSTCGU-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO CC(C)[N@H+]1C[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000158414699 529102326 /nfs/dbraw/zinc/10/23/26/529102326.db2.gz FMGGOWXEOAAILJ-BBRMVZONSA-N 1 0 334.420 2.165 10 5 EEBERO NC(=O)C1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000772984673 577309054 /nfs/dbraw/zinc/30/90/54/577309054.db2.gz OLIYNYFZNDCROC-UHFFFAOYSA-N 1 0 346.431 2.197 10 5 EEBERO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC1CCC3(CC1)OCCO3)CC2 ZINC000753748103 577792732 /nfs/dbraw/zinc/79/27/32/577792732.db2.gz KZLMNZCCKXEOAZ-UHFFFAOYSA-N 1 0 333.388 2.281 10 5 EEBERO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)nc1-c1ccncc1 ZINC000756885008 577852368 /nfs/dbraw/zinc/85/23/68/577852368.db2.gz JSASTGBWMAPGPL-CABCVRRESA-N 1 0 343.387 2.312 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804814534 675641527 /nfs/dbraw/zinc/64/15/27/675641527.db2.gz BQYRIHVDRBCTPG-ONXXMXGDSA-N 1 0 332.404 2.016 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000924382851 676872408 /nfs/dbraw/zinc/87/24/08/676872408.db2.gz TXKKHPCWOJMWHJ-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899986672 693954653 /nfs/dbraw/zinc/95/46/53/693954653.db2.gz OLBTWFHLUWITSM-HOCLYGCPSA-N 1 0 332.404 2.140 10 5 EEBERO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000722243087 693317276 /nfs/dbraw/zinc/31/72/76/693317276.db2.gz FZFDZRNKOSGANC-BXKDBHETSA-N 1 0 328.210 2.397 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC001266560269 1176844883 /nfs/dbraw/zinc/84/48/83/1176844883.db2.gz GWVFOUMZXWWBGS-HZPDHXFCSA-N 1 0 345.399 2.426 10 5 EEBERO CC[N@H+](CCNC(=O)c1conc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691039001 1176940276 /nfs/dbraw/zinc/94/02/76/1176940276.db2.gz ULARYAQJLGANME-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO C[N@H+](CCNC(=O)c1cc(C2CC2)n[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480915479 1178175467 /nfs/dbraw/zinc/17/54/67/1178175467.db2.gz AMFPKIPNMPPWIQ-UHFFFAOYSA-N 1 0 343.387 2.057 10 5 EEBERO CCc1cc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001268782359 1183698437 /nfs/dbraw/zinc/69/84/37/1183698437.db2.gz UEBJYCHHEFHRJT-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1)C1CCC1 ZINC001271015887 1185814527 /nfs/dbraw/zinc/81/45/27/1185814527.db2.gz CDVFMUBBGYGVCP-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO COCC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001485443247 1191786675 /nfs/dbraw/zinc/78/66/75/1191786675.db2.gz FYVPTTMQVCIWQW-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000703306973 1196425126 /nfs/dbraw/zinc/42/51/26/1196425126.db2.gz VXENIFKULXAWNQ-CYBMUJFWSA-N 1 0 337.376 2.278 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872281954 1198127989 /nfs/dbraw/zinc/12/79/89/1198127989.db2.gz YQERPHAPSRRGJG-INIZCTEOSA-N 1 0 335.404 2.180 10 5 EEBERO C[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000865363516 1198185726 /nfs/dbraw/zinc/18/57/26/1198185726.db2.gz PGJCIBNCKLNGGZ-UHFFFAOYSA-N 1 0 327.381 2.036 10 5 EEBERO CC(C)[C@H](C[NH+](C)C)OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000870569688 1200747357 /nfs/dbraw/zinc/74/73/57/1200747357.db2.gz CSCVQSLEEKTZTJ-AWEZNQCLSA-N 1 0 338.360 2.109 10 5 EEBERO C[N@@H+]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCC1(C)C ZINC000871155003 1201075040 /nfs/dbraw/zinc/07/50/40/1201075040.db2.gz MZCYSCJLILLTAG-UHFFFAOYSA-N 1 0 349.416 2.156 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000866359638 1201500033 /nfs/dbraw/zinc/50/00/33/1201500033.db2.gz UPWHRVAVPCKESN-MNOVXSKESA-N 1 0 344.408 2.220 10 5 EEBERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000866539606 1201543800 /nfs/dbraw/zinc/54/38/00/1201543800.db2.gz DSBZOUZSHQLJLR-HIFRSBDPSA-N 1 0 326.418 2.349 10 5 EEBERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000866539607 1201543911 /nfs/dbraw/zinc/54/39/11/1201543911.db2.gz DSBZOUZSHQLJLR-ZFWWWQNUSA-N 1 0 326.418 2.349 10 5 EEBERO O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000866720974 1201589314 /nfs/dbraw/zinc/58/93/14/1201589314.db2.gz QHYYJLPEUQJQCL-DGCLKSJQSA-N 1 0 338.795 2.013 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868157126 1201754734 /nfs/dbraw/zinc/75/47/34/1201754734.db2.gz ZILDLTDCARBQLR-GXTWGEPZSA-N 1 0 334.376 2.352 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882499275 1201884423 /nfs/dbraw/zinc/88/44/23/1201884423.db2.gz IYYSZHKUWKQKGM-UHFFFAOYSA-N 1 0 333.388 2.304 10 5 EEBERO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000802142119 1236987908 /nfs/dbraw/zinc/98/79/08/1236987908.db2.gz WRGPIQGACUUPBX-XJKSGUPXSA-N 1 0 336.388 2.351 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1CC[NH2+]C12CCCC2 ZINC000903486651 1240627359 /nfs/dbraw/zinc/62/73/59/1240627359.db2.gz XACSTPRGTDIOEN-INIZCTEOSA-N 1 0 346.431 2.496 10 5 EEBERO CN(CC(C)(C)C[NH3+])C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766934 1293911308 /nfs/dbraw/zinc/91/13/08/1293911308.db2.gz YUZFVBNMVJGXBM-UHFFFAOYSA-N 1 0 331.319 2.010 10 5 EEBERO CCO[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C[NH+](C)C ZINC000926959936 1296969762 /nfs/dbraw/zinc/96/97/62/1296969762.db2.gz LIECARWCUHWKBF-JSGCOSHPSA-N 1 0 325.409 2.221 10 5 EEBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001142927016 1315802047 /nfs/dbraw/zinc/80/20/47/1315802047.db2.gz DGAICOUCLUKOKH-HUUCEWRRSA-N 1 0 335.404 2.209 10 5 EEBERO Cc1cc(OCC(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001149204129 1315931007 /nfs/dbraw/zinc/93/10/07/1315931007.db2.gz FZBMGOTWKRWTNL-HOTGVXAUSA-N 1 0 347.415 2.271 10 5 EEBERO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001149537107 1315986506 /nfs/dbraw/zinc/98/65/06/1315986506.db2.gz VJCHROVALZFERU-OAHLLOKOSA-N 1 0 343.358 2.391 10 5 EEBERO Cc1n[nH]c(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC001155677613 1317699598 /nfs/dbraw/zinc/69/95/98/1317699598.db2.gz PMJKELDJEZEPKY-UHFFFAOYSA-N 1 0 335.408 2.153 10 5 EEBERO CC[N@H+](CCCNC(=O)c1c[nH]nc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001265126134 1322934640 /nfs/dbraw/zinc/93/46/40/1322934640.db2.gz LKGUQARGNIDRTF-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO C[NH+](C)Cc1cccc(NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC001290472899 1328207041 /nfs/dbraw/zinc/20/70/41/1328207041.db2.gz IGDQPFWRAITIKD-INIZCTEOSA-N 1 0 329.356 2.329 10 5 EEBERO CCCC(=O)N1CCC([N@H+](CCO)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001316809232 1331905817 /nfs/dbraw/zinc/90/58/17/1331905817.db2.gz IHBOKJMPGZPMII-UHFFFAOYSA-N 1 0 349.431 2.180 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001350616645 1337729038 /nfs/dbraw/zinc/72/90/38/1337729038.db2.gz QJGJZTIQJFFZPR-JTQLQIEISA-N 1 0 341.799 2.436 10 5 EEBERO CC(C)(CCc1noc(C2(C(F)(F)F)CC[NH2+]CC2)n1)[N+](=O)[O-] ZINC001353962842 1338379577 /nfs/dbraw/zinc/37/95/77/1338379577.db2.gz JDBTUSIVWVCJTN-UHFFFAOYSA-N 1 0 336.314 2.241 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582720 1338724952 /nfs/dbraw/zinc/72/49/52/1338724952.db2.gz HMXUHRPXLMIWPZ-NSHDSACASA-N 1 0 343.330 2.024 10 5 EEBERO C[C@@H]1C[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000848583992 1338725270 /nfs/dbraw/zinc/72/52/70/1338725270.db2.gz LBCVEWDURZWNQU-GHMZBOCLSA-N 1 0 343.330 2.165 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC001626224652 1352325856 /nfs/dbraw/zinc/32/58/56/1352325856.db2.gz BEAZIRZVYRGJQA-UHFFFAOYSA-N 1 0 337.807 2.345 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]nc1C1CC1 ZINC001567584322 1342788048 /nfs/dbraw/zinc/78/80/48/1342788048.db2.gz QZCWRLNQXBWSFF-UHFFFAOYSA-N 1 0 343.387 2.057 10 5 EEBERO O=C(CC[N@@H+]1CC[C@@H](F)C1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001597746807 1349931021 /nfs/dbraw/zinc/93/10/21/1349931021.db2.gz JORXUGKJIHMJQV-CYBMUJFWSA-N 1 0 343.786 2.341 10 5 EEBERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001625612949 1352453154 /nfs/dbraw/zinc/45/31/54/1352453154.db2.gz XDAHCFYYWZJLQD-GFCCVEGCSA-N 1 0 334.420 2.417 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001627490104 1352499025 /nfs/dbraw/zinc/49/90/25/1352499025.db2.gz ITVNQZYEEMCYEN-GFCCVEGCSA-N 1 0 328.372 2.154 10 5 EEBERO Nc1nccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1[N+](=O)[O-] ZINC001635896320 1352654297 /nfs/dbraw/zinc/65/42/97/1352654297.db2.gz OPZBZXAPLQVTDQ-ZDUSSCGKSA-N 1 0 347.419 2.099 10 5 EEBERO Cc1nc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC001643330486 1352746021 /nfs/dbraw/zinc/74/60/21/1352746021.db2.gz KDGWFQOLQOSJJY-OAHLLOKOSA-N 1 0 330.363 2.458 10 5 EEBERO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001651304716 1354048134 /nfs/dbraw/zinc/04/81/34/1354048134.db2.gz NTBKHXQEHLJGLS-KBPBESRZSA-N 1 0 337.807 2.486 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001655069337 1354164087 /nfs/dbraw/zinc/16/40/87/1354164087.db2.gz KYOQWOGYGXPDQW-HOTGVXAUSA-N 1 0 335.452 2.294 10 5 EEBERO CCCn1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001664217153 1355114984 /nfs/dbraw/zinc/11/49/84/1355114984.db2.gz IDHQFPKDLKAPGW-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO COCCC(=O)N1CCC(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001664863504 1355245849 /nfs/dbraw/zinc/24/58/49/1355245849.db2.gz CQVPNDDVUNAZKJ-UHFFFAOYSA-N 1 0 349.431 2.302 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC001666211708 1355485202 /nfs/dbraw/zinc/48/52/02/1355485202.db2.gz OAJXSTBRDNZPAC-IAGOWNOFSA-N 1 0 331.416 2.070 10 5 EEBERO Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)nn1 ZINC001670090205 1356273322 /nfs/dbraw/zinc/27/33/22/1356273322.db2.gz FPCYLUIWALDOOI-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO Cc1cc(Cl)ccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699255451 1405295391 /nfs/dbraw/zinc/29/53/91/1405295391.db2.gz NHSMCRSNKSPTGO-OKYAQOQYSA-N 1 0 337.807 2.076 10 5 EEBERO CC(C)CNC(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001167829721 776264030 /nfs/dbraw/zinc/26/40/30/776264030.db2.gz QQFFICUMSJUYBS-INIZCTEOSA-N 1 0 349.431 2.303 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000908346865 785339623 /nfs/dbraw/zinc/33/96/23/785339623.db2.gz ILXBLGVRRPXUAE-QPUJVOFHSA-N 1 0 327.743 2.163 10 5 EEBERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819207053 785436939 /nfs/dbraw/zinc/43/69/39/785436939.db2.gz DBLVNTNUBQNCJB-KRWDZBQOSA-N 1 0 332.404 2.201 10 5 EEBERO Cc1nn(C)c(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000908502893 785486831 /nfs/dbraw/zinc/48/68/31/785486831.db2.gz RMFWUYDZUDZKNB-UHFFFAOYSA-N 1 0 349.435 2.021 10 5 EEBERO O=C(N1CC[C@@H]([NH+]2CCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000912899851 788460529 /nfs/dbraw/zinc/46/05/29/788460529.db2.gz BJUXXIMESOWBJT-MRXNPFEDSA-N 1 0 329.400 2.323 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912923765 788473650 /nfs/dbraw/zinc/47/36/50/788473650.db2.gz IVKUIFIDEXLDSC-GXTWGEPZSA-N 1 0 335.429 2.382 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000913291014 788767516 /nfs/dbraw/zinc/76/75/16/788767516.db2.gz MMJVMSHJHFWVTM-ROUUACIJSA-N 1 0 346.431 2.197 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C[C@@]2(C)C1 ZINC000913293393 788771038 /nfs/dbraw/zinc/77/10/38/788771038.db2.gz NROAGRZGMWMYMC-QZTJIDSGSA-N 1 0 342.399 2.490 10 5 EEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001144402772 789731257 /nfs/dbraw/zinc/73/12/57/789731257.db2.gz OOOAOBOHTMDUDN-MCIONIFRSA-N 1 0 349.456 2.486 10 5 EEBERO Cn1nccc1C[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001177008085 798693183 /nfs/dbraw/zinc/69/31/83/798693183.db2.gz GZVBUVQTEIEFCJ-HNNXBMFYSA-N 1 0 330.388 2.414 10 5 EEBERO [NH3+][C@H]1C[C@@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000715098390 802010594 /nfs/dbraw/zinc/01/05/94/802010594.db2.gz ZPZLNMUVTSIJLW-OTSSQURYSA-N 1 0 347.156 2.349 10 5 EEBERO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000790286031 808560528 /nfs/dbraw/zinc/56/05/28/808560528.db2.gz WUVXFELEJBBPJY-OAHLLOKOSA-N 1 0 348.403 2.458 10 5 EEBERO C[N@H+](CCCNC(=O)c1ccns1)Cc1cccc([N+](=O)[O-])c1 ZINC001479773889 1098950321 /nfs/dbraw/zinc/95/03/21/1098950321.db2.gz MAARPJLRDCQWHL-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CN(CC[NH2+]Cc1cccc2ccccc21)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493544568 1108291670 /nfs/dbraw/zinc/29/16/70/1108291670.db2.gz IZXPEYIDBUCHPC-IAGOWNOFSA-N 1 0 327.384 2.053 10 5 EEBERO C[C@@H]1CC[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC001460952873 1110329548 /nfs/dbraw/zinc/32/95/48/1110329548.db2.gz WTYJSUFRVGHBIG-DYVFJYSZSA-N 1 0 330.388 2.166 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)CC2CCCC2)CCC1 ZINC001501907351 1113518984 /nfs/dbraw/zinc/51/89/84/1113518984.db2.gz PSSSVDDDVKUOQF-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO CCOCCC(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001506954580 1115002581 /nfs/dbraw/zinc/00/25/81/1115002581.db2.gz GIQGJJBNBSTOEK-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001519930348 1119114865 /nfs/dbraw/zinc/11/48/65/1119114865.db2.gz IRSNGUCAZHEYGX-XIRDDKMYSA-N 1 0 346.431 2.119 10 5 EEBERO CC(C)=C(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001565870349 1125445413 /nfs/dbraw/zinc/44/54/13/1125445413.db2.gz RRECHUKKPLZFGL-HDJSIYSDSA-N 1 0 349.435 2.059 10 5 EEBERO Cn1c2ccccc2c(N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1=O ZINC000685940435 539988819 /nfs/dbraw/zinc/98/88/19/539988819.db2.gz LMYXPWOAMJGXJR-ZDUSSCGKSA-N 1 0 342.399 2.121 10 5 EEBERO O=[N+]([O-])c1cc(Br)ccc1NCCCN1CC[NH2+]CC1 ZINC000035307810 213019039 /nfs/dbraw/zinc/01/90/39/213019039.db2.gz ZSICACMONULNBL-UHFFFAOYSA-N 1 0 343.225 2.065 10 5 EEBERO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423965394 240761397 /nfs/dbraw/zinc/76/13/97/240761397.db2.gz GDLRRQYXKGXCBO-HUUCEWRRSA-N 1 0 346.431 2.022 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246760997 243309021 /nfs/dbraw/zinc/30/90/21/243309021.db2.gz HTXILJOHNWJTIL-GJZGRUSLSA-N 1 0 348.447 2.220 10 5 EEBERO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000049558826 214018222 /nfs/dbraw/zinc/01/82/22/214018222.db2.gz UXQBLQHCCCYNAU-SECBINFHSA-N 1 0 344.209 2.427 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000113224230 220485127 /nfs/dbraw/zinc/48/51/27/220485127.db2.gz RDCYGDZTAQELHU-DGCLKSJQSA-N 1 0 328.372 2.385 10 5 EEBERO CC[N@@H+]1CCC[C@@H](NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000172621446 152101468 /nfs/dbraw/zinc/10/14/68/152101468.db2.gz KWLDEDIBZKTSCW-OAHLLOKOSA-N 1 0 334.420 2.387 10 5 EEBERO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000371232616 153959773 /nfs/dbraw/zinc/95/97/73/153959773.db2.gz TWLJXVWOJFJBBJ-TZMCWYRMSA-N 1 0 332.404 2.090 10 5 EEBERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261628286 160402843 /nfs/dbraw/zinc/40/28/43/160402843.db2.gz ASVLNAYJYGFDKR-UHFFFAOYSA-N 1 0 327.384 2.167 10 5 EEBERO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1N1CCOCC1 ZINC000246508905 160282518 /nfs/dbraw/zinc/28/25/18/160282518.db2.gz QJMBBUIDVIOATM-MAUKXSAKSA-N 1 0 349.431 2.016 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246595706 160286456 /nfs/dbraw/zinc/28/64/56/160286456.db2.gz ZFFCPKAIDPMIGQ-SMDDNHRTSA-N 1 0 336.392 2.454 10 5 EEBERO O=[N+]([O-])c1cnccc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000343521046 161143079 /nfs/dbraw/zinc/14/30/79/161143079.db2.gz QXOFMYDLTQFZBS-MRXNPFEDSA-N 1 0 326.400 2.388 10 5 EEBERO COc1cc(CN2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000352541463 162178272 /nfs/dbraw/zinc/17/82/72/162178272.db2.gz YEEROKMPTKAZAI-UHFFFAOYSA-N 1 0 337.420 2.146 10 5 EEBERO COc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000378238011 167647653 /nfs/dbraw/zinc/64/76/53/167647653.db2.gz RTMRTYGIANKNCP-UONOGXRCSA-N 1 0 333.388 2.208 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000123361864 222264168 /nfs/dbraw/zinc/26/41/68/222264168.db2.gz BUCSMBBKBNYHIZ-QWHCGFSZSA-N 1 0 334.420 2.216 10 5 EEBERO CC(C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCOCC1 ZINC000277776341 269181589 /nfs/dbraw/zinc/18/15/89/269181589.db2.gz MAILZDXLIAGNHM-OAHLLOKOSA-N 1 0 333.392 2.240 10 5 EEBERO C[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000291865627 275347711 /nfs/dbraw/zinc/34/77/11/275347711.db2.gz ICROZGQBRXEJMD-ZDUSSCGKSA-N 1 0 329.404 2.191 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436195 276394131 /nfs/dbraw/zinc/39/41/31/276394131.db2.gz QVSJBEFJNWYLJN-DZGCQCFKSA-N 1 0 334.420 2.195 10 5 EEBERO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000283205056 292913582 /nfs/dbraw/zinc/91/35/82/292913582.db2.gz PLESGXFWRNWKCU-UHFFFAOYSA-N 1 0 342.403 2.065 10 5 EEBERO C[NH+](C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(F)c1 ZINC000301855080 294903010 /nfs/dbraw/zinc/90/30/10/294903010.db2.gz YOUQFXCUFWPZTL-CYBMUJFWSA-N 1 0 344.350 2.491 10 5 EEBERO O=C(c1cc(N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000302771656 311548734 /nfs/dbraw/zinc/54/87/34/311548734.db2.gz NBFBAHFHHYHIQR-UHFFFAOYSA-N 1 0 344.415 2.115 10 5 EEBERO Cc1cc(N2CCCO[C@@H](C[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000313348543 311587265 /nfs/dbraw/zinc/58/72/65/311587265.db2.gz DACCNOTXUPJQGC-JTQLQIEISA-N 1 0 344.209 2.220 10 5 EEBERO [NH3+]C1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000417233119 313458976 /nfs/dbraw/zinc/45/89/76/313458976.db2.gz NNHRXKXBFGKBSO-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417728881 313578072 /nfs/dbraw/zinc/57/80/72/313578072.db2.gz PUOHPWSZSCMKLH-CZUORRHYSA-N 1 0 334.420 2.215 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CCC3(CC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000422640488 314298582 /nfs/dbraw/zinc/29/85/82/314298582.db2.gz VQMJFOKUTVOYKH-CYBMUJFWSA-N 1 0 332.404 2.058 10 5 EEBERO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000520796504 316878799 /nfs/dbraw/zinc/87/87/99/316878799.db2.gz OVBMIJXVHHESON-SFHVURJKSA-N 1 0 331.416 2.475 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000572870344 319885085 /nfs/dbraw/zinc/88/50/85/319885085.db2.gz MIVFKLDRENJKEQ-RYQLBKOJSA-N 1 0 328.368 2.480 10 5 EEBERO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000136152335 463224158 /nfs/dbraw/zinc/22/41/58/463224158.db2.gz VXIFBLNJHLUIQR-AWEZNQCLSA-N 1 0 335.360 2.194 10 5 EEBERO C[C@H](CC[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000069780012 463325873 /nfs/dbraw/zinc/32/58/73/463325873.db2.gz CSFDPYFLCJVWSO-CYBMUJFWSA-N 1 0 334.420 2.265 10 5 EEBERO CN(C[C@@H]1CC[N@H+](C)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000071193062 463411512 /nfs/dbraw/zinc/41/15/12/463411512.db2.gz QMBSMSDTJDRYRP-SECBINFHSA-N 1 0 329.198 2.140 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN(C2CC2)CC1 ZINC000172496703 464092854 /nfs/dbraw/zinc/09/28/54/464092854.db2.gz MBGFNFIVJNIOKX-UHFFFAOYSA-N 1 0 346.431 2.407 10 5 EEBERO C[N@@H+]1CC[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1ccccc1 ZINC000225600069 464175129 /nfs/dbraw/zinc/17/51/29/464175129.db2.gz VQYMHDXOOQUUNH-GUYCJALGSA-N 1 0 338.371 2.495 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000281656690 464536646 /nfs/dbraw/zinc/53/66/46/464536646.db2.gz NEXLSJFBWOMCLJ-HOCLYGCPSA-N 1 0 349.431 2.471 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000569105570 468439894 /nfs/dbraw/zinc/43/98/94/468439894.db2.gz SLUJQCMGROPBAU-INIZCTEOSA-N 1 0 341.367 2.058 10 5 EEBERO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000353435927 465879306 /nfs/dbraw/zinc/87/93/06/465879306.db2.gz GMUULYZBNVOONF-UHFFFAOYSA-N 1 0 332.404 2.411 10 5 EEBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000362705778 465957934 /nfs/dbraw/zinc/95/79/34/465957934.db2.gz ZKSLJGNXOXVXBS-ZDUSSCGKSA-N 1 0 343.387 2.055 10 5 EEBERO CNC(=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000361645956 466174260 /nfs/dbraw/zinc/17/42/60/466174260.db2.gz GDMKOSBJIZHERQ-KRWDZBQOSA-N 1 0 343.383 2.441 10 5 EEBERO O=C(NCC[N@H+]1CC=CCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000357619968 466182929 /nfs/dbraw/zinc/18/29/29/466182929.db2.gz JNGYOMCBTKMMIR-UHFFFAOYSA-N 1 0 341.314 2.188 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597236498 468490686 /nfs/dbraw/zinc/49/06/86/468490686.db2.gz RAGASHOHKUHQEK-NJELEJDNSA-N 1 0 331.416 2.139 10 5 EEBERO C[NH+](C)C1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000347153106 466435707 /nfs/dbraw/zinc/43/57/07/466435707.db2.gz JQMNFRGNXXLGAT-UHFFFAOYSA-N 1 0 343.181 2.135 10 5 EEBERO Cc1cn2c(n1)CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000363699686 466566609 /nfs/dbraw/zinc/56/66/09/466566609.db2.gz LHKXHIKXSIWAHM-UHFFFAOYSA-N 1 0 343.387 2.253 10 5 EEBERO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000365413320 466810383 /nfs/dbraw/zinc/81/03/83/466810383.db2.gz XOOWQVLAJASPNE-UHFFFAOYSA-N 1 0 348.359 2.250 10 5 EEBERO COc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1F ZINC000373675888 466885452 /nfs/dbraw/zinc/88/54/52/466885452.db2.gz UAWAKOWKTHVYPK-GHMZBOCLSA-N 1 0 325.340 2.018 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000373759124 466912109 /nfs/dbraw/zinc/91/21/09/466912109.db2.gz HIMXYZYJSXMCTP-UKRRQHHQSA-N 1 0 333.388 2.094 10 5 EEBERO COc1ccc([C@H](C[NH3+])CN2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000420372152 467381876 /nfs/dbraw/zinc/38/18/76/467381876.db2.gz LENVMNXQYBXKLK-OAHLLOKOSA-N 1 0 342.399 2.099 10 5 EEBERO CC(C)[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531265016 468040081 /nfs/dbraw/zinc/04/00/81/468040081.db2.gz QRCYYDMSDSVEAJ-WFASDCNBSA-N 1 0 331.372 2.205 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000589864408 468190789 /nfs/dbraw/zinc/19/07/89/468190789.db2.gz KGCQHBQUFURVGA-AWEZNQCLSA-N 1 0 342.399 2.230 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000590045950 468207409 /nfs/dbraw/zinc/20/74/09/468207409.db2.gz ZDCKLRSTMQPZBC-NOZJJQNGSA-N 1 0 343.305 2.390 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000590444370 468258339 /nfs/dbraw/zinc/25/83/39/468258339.db2.gz LBZZUUIRFMQIAJ-NHYWBVRUSA-N 1 0 335.379 2.174 10 5 EEBERO CC(C)C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591749448 468514216 /nfs/dbraw/zinc/51/42/16/468514216.db2.gz YYTZEVSPGAGGMO-UHFFFAOYSA-N 1 0 326.418 2.394 10 5 EEBERO Cc1nn(C)c(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000591985035 468589872 /nfs/dbraw/zinc/58/98/72/468589872.db2.gz AQVOQTQGAUOLKY-CABCVRRESA-N 1 0 329.404 2.394 10 5 EEBERO COc1ccc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594512653 468613128 /nfs/dbraw/zinc/61/31/28/468613128.db2.gz VJDRZDMXVRNOJZ-MCIONIFRSA-N 1 0 337.420 2.191 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2CCC1(C[NH3+])CC2 ZINC000594531662 468616276 /nfs/dbraw/zinc/61/62/76/468616276.db2.gz VORLOIMVVQHWTA-POZPTJLLSA-N 1 0 332.404 2.125 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000600679223 468618531 /nfs/dbraw/zinc/61/85/31/468618531.db2.gz SYTKAKMRVTZOJM-IUODEOHRSA-N 1 0 332.404 2.186 10 5 EEBERO O=C1C[C@H](N2CCC[C@H](CCF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594659652 468646287 /nfs/dbraw/zinc/64/62/87/468646287.db2.gz HABZBQKARQIPBK-DOMZBBRYSA-N 1 0 349.362 2.298 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425630 468695482 /nfs/dbraw/zinc/69/54/82/468695482.db2.gz LYJACJAHXDCPHJ-DZGCQCFKSA-N 1 0 347.415 2.330 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425635 468695623 /nfs/dbraw/zinc/69/56/23/468695623.db2.gz LYJACJAHXDCPHJ-UKRRQHHQSA-N 1 0 347.415 2.330 10 5 EEBERO CCN(C(=O)COc1ccc([N+](=O)[O-])c(C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598042278 468747243 /nfs/dbraw/zinc/74/72/43/468747243.db2.gz XAFWEMXGUDLAJT-AWEZNQCLSA-N 1 0 335.404 2.225 10 5 EEBERO COc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000601188436 468776076 /nfs/dbraw/zinc/77/60/76/468776076.db2.gz GOEPROCFFRKZSF-HNNXBMFYSA-N 1 0 343.811 2.150 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595265024 468797416 /nfs/dbraw/zinc/79/74/16/468797416.db2.gz VLYPIOWOYCSQTL-CYBMUJFWSA-N 1 0 342.827 2.463 10 5 EEBERO CCCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C)C1 ZINC000592829703 468799212 /nfs/dbraw/zinc/79/92/12/468799212.db2.gz VTBLNCPINSMPTL-NSHDSACASA-N 1 0 341.358 2.358 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000601334950 468830375 /nfs/dbraw/zinc/83/03/75/468830375.db2.gz OZALQWJWKTVKMI-DZGCQCFKSA-N 1 0 343.387 2.219 10 5 EEBERO Cc1c(NC(=O)CC[NH+]2CCC(C3(O)CC3)CC2)cccc1[N+](=O)[O-] ZINC000593050103 468851756 /nfs/dbraw/zinc/85/17/56/468851756.db2.gz OUTJKBBCIOQSET-UHFFFAOYSA-N 1 0 347.415 2.469 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@@H]21 ZINC000601618435 468938917 /nfs/dbraw/zinc/93/89/17/468938917.db2.gz YWTPCSLJDFRMPP-CJNGLKHVSA-N 1 0 329.400 2.179 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601654644 468953933 /nfs/dbraw/zinc/95/39/33/468953933.db2.gz GRFQHSFMNNYSCD-AKAXFMLLSA-N 1 0 331.416 2.473 10 5 EEBERO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595686432 468955366 /nfs/dbraw/zinc/95/53/66/468955366.db2.gz ZPMBRHNXKITCBD-CJNGLKHVSA-N 1 0 336.367 2.278 10 5 EEBERO C[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+]1CCN(C)CC1 ZINC000593461464 468989750 /nfs/dbraw/zinc/98/97/50/468989750.db2.gz LVCBBMJVZDCWKW-ZDUSSCGKSA-N 1 0 329.404 2.191 10 5 EEBERO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598978197 469073570 /nfs/dbraw/zinc/07/35/70/469073570.db2.gz DDPMGTOGJRVQIN-MRXNPFEDSA-N 1 0 332.404 2.411 10 5 EEBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)[C@@H]3CCCO3)cs2)c1 ZINC000598990390 469078547 /nfs/dbraw/zinc/07/85/47/469078547.db2.gz MVXCFQYZCOLKOD-GJZGRUSLSA-N 1 0 349.412 2.348 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000599011887 469087648 /nfs/dbraw/zinc/08/76/48/469087648.db2.gz BNGWXSVBHYDWPK-HNNXBMFYSA-N 1 0 342.399 2.444 10 5 EEBERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587454907 469089565 /nfs/dbraw/zinc/08/95/65/469089565.db2.gz KMMDKFRPIFRARC-FRRDWIJNSA-N 1 0 336.436 2.448 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595935834 469090406 /nfs/dbraw/zinc/09/04/06/469090406.db2.gz VZXBWUYPFFSQSP-AWEZNQCLSA-N 1 0 347.415 2.455 10 5 EEBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595936141 469091991 /nfs/dbraw/zinc/09/19/91/469091991.db2.gz XJNMGLPBWAXQQR-MRXNPFEDSA-N 1 0 331.416 2.376 10 5 EEBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC000595980054 469105388 /nfs/dbraw/zinc/10/53/88/469105388.db2.gz CXZYMIZKWTUIPJ-UHFFFAOYSA-N 1 0 341.820 2.209 10 5 EEBERO COc1cc(NCCCN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596061084 469132950 /nfs/dbraw/zinc/13/29/50/469132950.db2.gz BRMLKVLEVHJMNC-UHFFFAOYSA-N 1 0 342.827 2.306 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000611513688 469269453 /nfs/dbraw/zinc/26/94/53/469269453.db2.gz UXRWBLQCIQBWHM-SECBINFHSA-N 1 0 329.303 2.020 10 5 EEBERO O=c1ccc([C@@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000599641691 469319817 /nfs/dbraw/zinc/31/98/17/469319817.db2.gz OHBWCFPSXXJFNR-HNNXBMFYSA-N 1 0 330.344 2.306 10 5 EEBERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000599686513 469338333 /nfs/dbraw/zinc/33/83/33/469338333.db2.gz VROIUKIYULOOHC-LSDHHAIUSA-N 1 0 348.359 2.175 10 5 EEBERO CC[NH+]1CCN(c2ccc(CNc3cccnc3[N+](=O)[O-])cn2)CC1 ZINC000603861754 469437396 /nfs/dbraw/zinc/43/73/96/469437396.db2.gz VJWFOMPMLDPEFG-UHFFFAOYSA-N 1 0 342.403 2.139 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000619451643 469611622 /nfs/dbraw/zinc/61/16/22/469611622.db2.gz PLAHVUQDWSLTSC-UHFFFAOYSA-N 1 0 335.408 2.188 10 5 EEBERO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000457099123 485485419 /nfs/dbraw/zinc/48/54/19/485485419.db2.gz UUIWKGSYPOVHTF-NSHDSACASA-N 1 0 341.358 2.357 10 5 EEBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451254126 535956006 /nfs/dbraw/zinc/95/60/06/535956006.db2.gz OIWOOCGJZITEAS-TZMCWYRMSA-N 1 0 332.360 2.238 10 5 EEBERO C[NH+](C)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234267274 676418323 /nfs/dbraw/zinc/41/83/23/676418323.db2.gz MNUGPIBMTDBRCC-LLVKDONJSA-N 1 0 328.210 2.493 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928430668 683027284 /nfs/dbraw/zinc/02/72/84/683027284.db2.gz YYHCUERCHBYIAO-SCZZXKLOSA-N 1 0 342.193 2.180 10 5 EEBERO C[N@H+](CCNC(=O)C1C=CC=CC=C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480868908 1176209598 /nfs/dbraw/zinc/20/95/98/1176209598.db2.gz KARYAYHTOZSDOV-UHFFFAOYSA-N 1 0 327.384 2.441 10 5 EEBERO C[NH+]1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])cc3N)C2)CC1 ZINC001626245906 1176454036 /nfs/dbraw/zinc/45/40/36/1176454036.db2.gz CIVRWMQHJXDPEF-UHFFFAOYSA-N 1 0 332.404 2.125 10 5 EEBERO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001648854977 1176736020 /nfs/dbraw/zinc/73/60/20/1176736020.db2.gz MVLYJNZTEPGULV-ZDUSSCGKSA-N 1 0 332.404 2.092 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C(F)F)CC1 ZINC001691319830 1177905131 /nfs/dbraw/zinc/90/51/31/1177905131.db2.gz XBRXIEAEVJUGGA-UHFFFAOYSA-N 1 0 333.360 2.250 10 5 EEBERO O=C(NCC[N@H+](CC1CCC2(CC2)CC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267326725 1178762617 /nfs/dbraw/zinc/76/26/17/1178762617.db2.gz ZYVHTXBPMMNOQI-HZPDHXFCSA-N 1 0 335.448 2.203 10 5 EEBERO CCn1ccnc1C(=O)NCC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC001480972704 1179403880 /nfs/dbraw/zinc/40/38/80/1179403880.db2.gz XMFAQJQGDYUTTM-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO COCc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001481255576 1180485514 /nfs/dbraw/zinc/48/55/14/1180485514.db2.gz MEPAOKUYDWYBMS-UHFFFAOYSA-N 1 0 347.371 2.196 10 5 EEBERO Cc1cccnc1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001268526013 1183179558 /nfs/dbraw/zinc/17/95/58/1183179558.db2.gz PDNAXXPNQDBNDT-NSCUHMNNSA-N 1 0 340.383 2.374 10 5 EEBERO COc1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001268607213 1183515169 /nfs/dbraw/zinc/51/51/69/1183515169.db2.gz JCOYWRJZCAOPSJ-NSCUHMNNSA-N 1 0 345.355 2.272 10 5 EEBERO CCn1cccc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269535698 1184362019 /nfs/dbraw/zinc/36/20/19/1184362019.db2.gz WMJOEVHHIUUHAE-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO CCc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001482581172 1186980750 /nfs/dbraw/zinc/98/07/50/1186980750.db2.gz OXLYJVAZYKKWDJ-UHFFFAOYSA-N 1 0 345.403 2.084 10 5 EEBERO [NH3+]C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872147458 1198055334 /nfs/dbraw/zinc/05/53/34/1198055334.db2.gz BGICDRHDXZJFNP-GXFFZTMASA-N 1 0 333.310 2.043 10 5 EEBERO [NH3+]C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872148502 1198056581 /nfs/dbraw/zinc/05/65/81/1198056581.db2.gz JMJQLOJSYDZKHH-QWRGUYRKSA-N 1 0 333.310 2.043 10 5 EEBERO CC(C)c1ccc(C[NH2+]C[C@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000865768522 1198368286 /nfs/dbraw/zinc/36/82/86/1198368286.db2.gz KMFQLGXGSOZHES-KRWDZBQOSA-N 1 0 349.387 2.029 10 5 EEBERO CCc1ccc(OS(=O)(=O)CC[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000810050360 1199222958 /nfs/dbraw/zinc/22/29/58/1199222958.db2.gz ZPZCAHUILXVHSA-UHFFFAOYSA-N 1 0 330.406 2.208 10 5 EEBERO COc1cc(OCC(=O)O[C@@H](C[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000870571212 1200747854 /nfs/dbraw/zinc/74/78/54/1200747854.db2.gz XEOJDFJDLLCOSO-HNNXBMFYSA-N 1 0 340.376 2.112 10 5 EEBERO CC[NH+](CC)CC(C)(C)COC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000813150318 1201146864 /nfs/dbraw/zinc/14/68/64/1201146864.db2.gz BPIQCKJJHUAETL-UHFFFAOYSA-N 1 0 340.424 2.438 10 5 EEBERO CCC1([NH+]2CCCCC2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000881625747 1201728127 /nfs/dbraw/zinc/72/81/27/1201728127.db2.gz YFVXWTNWDOKSOA-UHFFFAOYSA-N 1 0 349.435 2.048 10 5 EEBERO C[C@H]1[C@@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1C ZINC000925329071 1206097952 /nfs/dbraw/zinc/09/79/52/1206097952.db2.gz KNKLNQRILHFCFA-LRDDRELGSA-N 1 0 332.404 2.361 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000930544279 1206566166 /nfs/dbraw/zinc/56/61/66/1206566166.db2.gz MLNSGZSMULKPBG-HZMBPMFUSA-N 1 0 340.221 2.493 10 5 EEBERO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000802142114 1236988170 /nfs/dbraw/zinc/98/81/70/1236988170.db2.gz WRGPIQGACUUPBX-BBRMVZONSA-N 1 0 336.388 2.351 10 5 EEBERO C[C@@H]1[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000903301989 1240209181 /nfs/dbraw/zinc/20/91/81/1240209181.db2.gz VRKNKMNXZIYPQH-DAXOMENPSA-N 1 0 329.404 2.100 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468832 1240565840 /nfs/dbraw/zinc/56/58/40/1240565840.db2.gz OPGBBOSOFOJUGA-DOMZBBRYSA-N 1 0 332.404 2.104 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903530105 1240819101 /nfs/dbraw/zinc/81/91/01/1240819101.db2.gz QJXRXZMNTQZEHQ-LBPRGKRZSA-N 1 0 340.811 2.261 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974120 1242809523 /nfs/dbraw/zinc/80/95/23/1242809523.db2.gz MKWGZUHXESMLOW-IMMZDGJCSA-N 1 0 331.416 2.356 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1c(F)cc([N+](=O)[O-])cc1F)CCO2 ZINC000826773503 1248058178 /nfs/dbraw/zinc/05/81/78/1248058178.db2.gz ZITZJPKUTOPLMB-UHFFFAOYSA-N 1 0 327.331 2.174 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001187740043 1279634698 /nfs/dbraw/zinc/63/46/98/1279634698.db2.gz VPGCEPNDYWUJQN-NSHDSACASA-N 1 0 348.790 2.364 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000851857480 1291891529 /nfs/dbraw/zinc/89/15/29/1291891529.db2.gz SKCWEVOGPSXBBV-UHFFFAOYSA-N 1 0 335.451 2.055 10 5 EEBERO O=[N+]([O-])c1ccccc1Cc1noc(-c2c[nH]nc2[C@H]2CC[NH2+]C2)n1 ZINC000854134537 1292639895 /nfs/dbraw/zinc/63/98/95/1292639895.db2.gz MKNJNUDKIHDELD-NSHDSACASA-N 1 0 340.343 2.036 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC000931316190 1297133846 /nfs/dbraw/zinc/13/38/46/1297133846.db2.gz HHCQVTXMOIEMCP-QZTJIDSGSA-N 1 0 347.415 2.155 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000798143900 1304928074 /nfs/dbraw/zinc/92/80/74/1304928074.db2.gz NZEYQZYSAPIZEA-LLVKDONJSA-N 1 0 343.811 2.071 10 5 EEBERO Cc1nc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001265831770 1323408857 /nfs/dbraw/zinc/40/88/57/1323408857.db2.gz RDSQPCZXXDVRDE-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO COCCC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001266176285 1323744281 /nfs/dbraw/zinc/74/42/81/1323744281.db2.gz IGMJQTZGSFROBT-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280813204 1324536802 /nfs/dbraw/zinc/53/68/02/1324536802.db2.gz DBNNTASLDOOFFV-NVXWUHKLSA-N 1 0 344.415 2.113 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC001290124259 1328146284 /nfs/dbraw/zinc/14/62/84/1328146284.db2.gz AFWKFIPRJZXFNV-CYBMUJFWSA-N 1 0 334.401 2.392 10 5 EEBERO CCc1n[nH]c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC001305227226 1331414671 /nfs/dbraw/zinc/41/46/71/1331414671.db2.gz URTGMAGNSMFBEN-TZMCWYRMSA-N 1 0 349.435 2.215 10 5 EEBERO Cc1cnoc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001317559045 1332297474 /nfs/dbraw/zinc/29/74/74/1332297474.db2.gz QQUWMEDNZKICHM-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO CCc1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001317583912 1332308871 /nfs/dbraw/zinc/30/88/71/1332308871.db2.gz UNKZMMQNJKAUDG-UHFFFAOYSA-N 1 0 330.388 2.347 10 5 EEBERO COC(=O)[C@@H]1[C@H](C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC001332704189 1335887217 /nfs/dbraw/zinc/88/72/17/1335887217.db2.gz DMFAENTYTTXBOQ-RYUDHWBXSA-N 1 0 328.315 2.474 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])s1 ZINC001351798687 1337850929 /nfs/dbraw/zinc/85/09/29/1337850929.db2.gz CJQDNQLXSNWWLU-MNOVXSKESA-N 1 0 347.462 2.116 10 5 EEBERO CCOC[C@@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479974 1338705876 /nfs/dbraw/zinc/70/58/76/1338705876.db2.gz FENXTNSJOFETGR-PBHICJAKSA-N 1 0 347.415 2.227 10 5 EEBERO CCOCC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001566605523 1342576913 /nfs/dbraw/zinc/57/69/13/1342576913.db2.gz UIRIVRSXVJONSU-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCc2ccccc2)CC1 ZINC001569700084 1342927034 /nfs/dbraw/zinc/92/70/34/1342927034.db2.gz NXBRDRNAVBEXIX-IAGOWNOFSA-N 1 0 345.443 2.113 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC001586735785 1348854358 /nfs/dbraw/zinc/85/43/58/1348854358.db2.gz LSIGQHTWFXOBDI-JQWIXIFHSA-N 1 0 349.387 2.359 10 5 EEBERO CC(C)(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC001627250878 1352488775 /nfs/dbraw/zinc/48/87/75/1352488775.db2.gz DSMZEVXSUOPCNP-UHFFFAOYSA-N 1 0 335.404 2.354 10 5 EEBERO Nc1ncc(C(=O)NCCCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001631233781 1352579964 /nfs/dbraw/zinc/57/99/64/1352579964.db2.gz NOBLZWSNXKKYTB-UHFFFAOYSA-N 1 0 349.435 2.348 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646379777 1352835748 /nfs/dbraw/zinc/83/57/48/1352835748.db2.gz PWSBXUGSXFICSE-LLVKDONJSA-N 1 0 329.759 2.457 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCC2)CC1 ZINC001648425892 1353428917 /nfs/dbraw/zinc/42/89/17/1353428917.db2.gz LCMNKVHOTQTUEL-UHFFFAOYSA-N 1 0 348.359 2.250 10 5 EEBERO CC(C)c1n[nH]c(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC001648425540 1353428994 /nfs/dbraw/zinc/42/89/94/1353428994.db2.gz FKBUAJJRJRDJSR-UHFFFAOYSA-N 1 0 335.408 2.188 10 5 EEBERO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001650804905 1354030069 /nfs/dbraw/zinc/03/00/69/1354030069.db2.gz JUNRBJSRVBRFEX-AWEZNQCLSA-N 1 0 326.356 2.133 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)Cc1cccnc1 ZINC001656461943 1354240984 /nfs/dbraw/zinc/24/09/84/1354240984.db2.gz YNGQGBURNLPHND-LBPRGKRZSA-N 1 0 344.371 2.158 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])ns1 ZINC001663906889 1355052659 /nfs/dbraw/zinc/05/26/59/1355052659.db2.gz RBNFLAQPYAEEFL-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO CC(C)(C)CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001666821201 1355596933 /nfs/dbraw/zinc/59/69/33/1355596933.db2.gz IUJUYICENWELLO-HUUCEWRRSA-N 1 0 337.464 2.402 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccn(C)c1 ZINC001670063626 1356269446 /nfs/dbraw/zinc/26/94/46/1356269446.db2.gz KVYPOWHVHTUSNZ-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO [NH3+]CC1(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000846694251 790419085 /nfs/dbraw/zinc/41/90/85/790419085.db2.gz URCVAILWUFWZMD-UHFFFAOYSA-N 1 0 329.759 2.175 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000922993347 788495078 /nfs/dbraw/zinc/49/50/78/788495078.db2.gz IEPGTVJPAMSUBT-ICDLMJIXSA-N 1 0 327.388 2.274 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(C(=O)CCc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913282367 788759550 /nfs/dbraw/zinc/75/95/50/788759550.db2.gz GGEHCCZUMZQUKT-ROUUACIJSA-N 1 0 331.416 2.328 10 5 EEBERO Cn1cnnc1CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001176294057 798403218 /nfs/dbraw/zinc/40/32/18/798403218.db2.gz CHFOMTZIZMNLNV-UHFFFAOYSA-N 1 0 333.367 2.317 10 5 EEBERO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182389644 801160092 /nfs/dbraw/zinc/16/00/92/801160092.db2.gz AWYKJQOQNWWSLW-AWEZNQCLSA-N 1 0 326.356 2.133 10 5 EEBERO Cc1cc[nH]c1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001479768318 1098935551 /nfs/dbraw/zinc/93/55/51/1098935551.db2.gz SOLHHAUVKWCLKC-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1cscn1)Cc1cccc([N+](=O)[O-])c1 ZINC001493026891 1107332873 /nfs/dbraw/zinc/33/28/73/1107332873.db2.gz AMLKEWGZOCQHPI-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC001493289906 1107863781 /nfs/dbraw/zinc/86/37/81/1107863781.db2.gz CATIAQSWTXGZAL-HUUCEWRRSA-N 1 0 339.823 2.333 10 5 EEBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001493476879 1108211401 /nfs/dbraw/zinc/21/14/01/1108211401.db2.gz HSOCQMWMRIOPKZ-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO Cc1ccc(NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)c(N)c1[N+](=O)[O-] ZINC001472227791 1110548300 /nfs/dbraw/zinc/54/83/00/1110548300.db2.gz ZTPNMKYLUVYGOY-CYBMUJFWSA-N 1 0 344.375 2.228 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC001537804428 1124014541 /nfs/dbraw/zinc/01/45/41/1124014541.db2.gz RINHNFFSXLHLRT-AWEZNQCLSA-N 1 0 332.404 2.102 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181561223 529648747 /nfs/dbraw/zinc/64/87/47/529648747.db2.gz DVRVBNHHBGFJLH-RCBQFDQVSA-N 1 0 335.404 2.319 10 5 EEBERO O=C(CCN1CCC([NH+]2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000066533458 215050595 /nfs/dbraw/zinc/05/05/95/215050595.db2.gz CKLHCPWSJYHPKJ-UHFFFAOYSA-N 1 0 346.431 2.484 10 5 EEBERO C[C@H]1CN(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066562260 215053894 /nfs/dbraw/zinc/05/38/94/215053894.db2.gz JOMXMGCIBHFIAL-HNNXBMFYSA-N 1 0 333.432 2.322 10 5 EEBERO COC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181674996 533090779 /nfs/dbraw/zinc/09/07/79/533090779.db2.gz NOSOYAADEVMPHP-WMZOPIPTSA-N 1 0 346.383 2.312 10 5 EEBERO CCOCC[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246995354 160304455 /nfs/dbraw/zinc/30/44/55/160304455.db2.gz BFEYGOHGCDLMNM-OAHLLOKOSA-N 1 0 337.420 2.016 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccco1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000343805016 161169651 /nfs/dbraw/zinc/16/96/51/161169651.db2.gz IQLONCAOUAONLI-UHFFFAOYSA-N 1 0 344.375 2.189 10 5 EEBERO CC[NH+](CC)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000345045854 161266696 /nfs/dbraw/zinc/26/66/96/161266696.db2.gz YUECNYIQRRZFSY-UHFFFAOYSA-N 1 0 334.420 2.371 10 5 EEBERO CSc1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000347912394 161481170 /nfs/dbraw/zinc/48/11/70/161481170.db2.gz FITFVECKTNGVLD-AWEZNQCLSA-N 1 0 335.429 2.483 10 5 EEBERO COc1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000352544966 162180591 /nfs/dbraw/zinc/18/05/91/162180591.db2.gz FGNYAXWAOQHRHU-HNNXBMFYSA-N 1 0 336.388 2.373 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[NH+]2CCC1CC2 ZINC000375208145 167087711 /nfs/dbraw/zinc/08/77/11/167087711.db2.gz SRJIVJXXQGAICU-UHFFFAOYSA-N 1 0 346.431 2.407 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)n1 ZINC000375240422 167094382 /nfs/dbraw/zinc/09/43/82/167094382.db2.gz XEQQIEODPCNRNI-UHFFFAOYSA-N 1 0 327.344 2.059 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123866549 222344436 /nfs/dbraw/zinc/34/44/36/222344436.db2.gz WZBFSRWDPFOIMM-ZIAGYGMSSA-N 1 0 334.420 2.338 10 5 EEBERO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000278382105 269228176 /nfs/dbraw/zinc/22/81/76/269228176.db2.gz UKAYVEVAULUSRU-JJRVBVJISA-N 1 0 338.404 2.002 10 5 EEBERO CCOc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000103453781 273946668 /nfs/dbraw/zinc/94/66/68/273946668.db2.gz IVPGVNDERCUKJZ-UHFFFAOYSA-N 1 0 335.404 2.407 10 5 EEBERO CC(=O)NC1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000348638748 277025432 /nfs/dbraw/zinc/02/54/32/277025432.db2.gz FTMSGGKOVRNLJS-SSHXOBKSSA-N 1 0 349.435 2.312 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cs1 ZINC000282965902 292872457 /nfs/dbraw/zinc/87/24/57/292872457.db2.gz YSDJOYUPUNQDPO-GXTWGEPZSA-N 1 0 326.418 2.314 10 5 EEBERO COc1ccc(OCC[N@@H+]2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420995266 314017493 /nfs/dbraw/zinc/01/74/93/314017493.db2.gz OLJYSRWDJVQBBC-ZDUSSCGKSA-N 1 0 336.388 2.362 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000523326887 316985461 /nfs/dbraw/zinc/98/54/61/316985461.db2.gz ZQLABYRQBQZBTJ-UHFFFAOYSA-N 1 0 349.387 2.175 10 5 EEBERO Cc1c(Br)c(N(C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000541578439 318103305 /nfs/dbraw/zinc/10/33/05/318103305.db2.gz OXRZBZTXFSBKEE-UHFFFAOYSA-N 1 0 331.214 2.449 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)cn1 ZINC000566536991 319297756 /nfs/dbraw/zinc/29/77/56/319297756.db2.gz FSEUHHYJGYHVKJ-MRXNPFEDSA-N 1 0 334.420 2.053 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000574760712 320054895 /nfs/dbraw/zinc/05/48/95/320054895.db2.gz YLNAPYLDFTXNKK-UHFFFAOYSA-N 1 0 332.381 2.214 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cnc4cnccn34)c2c1 ZINC000575950465 320127495 /nfs/dbraw/zinc/12/74/95/320127495.db2.gz DWYGCALYVNPGBO-UHFFFAOYSA-N 1 0 336.355 2.451 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+](C)C)cc1SC ZINC000181993361 323361258 /nfs/dbraw/zinc/36/12/58/323361258.db2.gz WLHZGTHDDARORU-UHFFFAOYSA-N 1 0 341.433 2.349 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153757448 462688983 /nfs/dbraw/zinc/68/89/83/462688983.db2.gz QIQNTLWEWNZFPB-AWEZNQCLSA-N 1 0 336.392 2.136 10 5 EEBERO CC[NH+]1CCC(CCNc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000078401534 463113139 /nfs/dbraw/zinc/11/31/39/463113139.db2.gz CNYBOZHKTLLBLY-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069452542 463249444 /nfs/dbraw/zinc/24/94/44/463249444.db2.gz HSJMBMTZDNNJAV-GFCCVEGCSA-N 1 0 341.795 2.089 10 5 EEBERO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802843 463468034 /nfs/dbraw/zinc/46/80/34/463468034.db2.gz UFIFMZREGBXNTD-MRXNPFEDSA-N 1 0 327.388 2.486 10 5 EEBERO CC(C)([NH3+])c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000162460494 463511931 /nfs/dbraw/zinc/51/19/31/463511931.db2.gz UXENCTMGIPOEET-UHFFFAOYSA-N 1 0 340.181 2.191 10 5 EEBERO C[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000277324021 463910047 /nfs/dbraw/zinc/91/00/47/463910047.db2.gz DOBSQVCSERZCQK-JOYOIKCWSA-N 1 0 327.768 2.201 10 5 EEBERO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280484147 464212616 /nfs/dbraw/zinc/21/26/16/464212616.db2.gz LSQOBJDJNAPBLX-QGZVFWFLSA-N 1 0 336.388 2.244 10 5 EEBERO CC[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 ZINC000180423036 464308410 /nfs/dbraw/zinc/30/84/10/464308410.db2.gz RFVHQEMHDQTJAH-GFCCVEGCSA-N 1 0 334.376 2.448 10 5 EEBERO CNC(=O)c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000264650637 464408492 /nfs/dbraw/zinc/40/84/92/464408492.db2.gz XBWNWONPBWKLMK-OAHLLOKOSA-N 1 0 346.431 2.409 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000245662893 464503708 /nfs/dbraw/zinc/50/37/08/464503708.db2.gz ACLRCYWZDPAQOW-OLZOCXBDSA-N 1 0 340.383 2.452 10 5 EEBERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000183201180 464820147 /nfs/dbraw/zinc/82/01/47/464820147.db2.gz KKFQBIASMVPOCI-ZANVPECISA-N 1 0 327.768 2.344 10 5 EEBERO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342921051 465388637 /nfs/dbraw/zinc/38/86/37/465388637.db2.gz MXVXAKOBMRIJKK-LBPRGKRZSA-N 1 0 328.372 2.385 10 5 EEBERO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccco1 ZINC000359541435 465442242 /nfs/dbraw/zinc/44/22/42/465442242.db2.gz DMEQZQYVAWKNQJ-NEPJUHHUSA-N 1 0 349.391 2.263 10 5 EEBERO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])nc1 ZINC000344607887 465717936 /nfs/dbraw/zinc/71/79/36/465717936.db2.gz VMXNWRKRSNCMGD-AWEZNQCLSA-N 1 0 342.403 2.007 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000362500562 465785627 /nfs/dbraw/zinc/78/56/27/465785627.db2.gz VEYBMKQJTJXUKK-HNNXBMFYSA-N 1 0 330.388 2.102 10 5 EEBERO CCCc1n[nH]c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346213047 465998684 /nfs/dbraw/zinc/99/86/84/465998684.db2.gz YCXQCTUFGKMHSN-RYUDHWBXSA-N 1 0 337.424 2.263 10 5 EEBERO CC(C)([NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415688483 466709481 /nfs/dbraw/zinc/70/94/81/466709481.db2.gz BYRRCNQGUGSYTC-UHFFFAOYSA-N 1 0 331.170 2.216 10 5 EEBERO Cc1c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cccc1[N+](=O)[O-] ZINC000377097101 467025892 /nfs/dbraw/zinc/02/58/92/467025892.db2.gz JKSWNNHINDTQAH-AWEZNQCLSA-N 1 0 327.388 2.655 10 5 EEBERO Cc1c(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000418082895 467040970 /nfs/dbraw/zinc/04/09/70/467040970.db2.gz RFOWJDFWRYXUQL-QGZVFWFLSA-N 1 0 332.404 2.188 10 5 EEBERO CN1CC[NH+](CCC(C)(C)Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450460144 467853601 /nfs/dbraw/zinc/85/36/01/467853601.db2.gz MSFUQDGAKZMCEU-UHFFFAOYSA-N 1 0 346.435 2.299 10 5 EEBERO COc1ccc(NC(=O)CC[N@H+](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000556809826 468577939 /nfs/dbraw/zinc/57/79/39/468577939.db2.gz CBUGTVGZLRVRMP-UHFFFAOYSA-N 1 0 337.376 2.043 10 5 EEBERO C[C@@H]1CC[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600712178 468629105 /nfs/dbraw/zinc/62/91/05/468629105.db2.gz XJHJYLKVFWPWRH-XNRPHZJLSA-N 1 0 329.404 2.148 10 5 EEBERO COC(=O)c1cc(-c2cnn(C3CC[NH2+]CC3)c2)cc([N+](=O)[O-])c1 ZINC000600787565 468658679 /nfs/dbraw/zinc/65/86/79/468658679.db2.gz ATLWBQMZSXDBNW-UHFFFAOYSA-N 1 0 330.344 2.169 10 5 EEBERO COc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000583442193 468698073 /nfs/dbraw/zinc/69/80/73/468698073.db2.gz VGGIZWKQDUPFBJ-MRXNPFEDSA-N 1 0 341.367 2.302 10 5 EEBERO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000594990947 468739377 /nfs/dbraw/zinc/73/93/77/468739377.db2.gz VMUVFAFFPHWFTJ-IAGOWNOFSA-N 1 0 331.416 2.328 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595089757 468757339 /nfs/dbraw/zinc/75/73/39/468757339.db2.gz KROSFNYSSWZIQB-KCPJHIHWSA-N 1 0 333.388 2.205 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC2CCC1(C[NH3+])CC2 ZINC000571821246 468843666 /nfs/dbraw/zinc/84/36/66/468843666.db2.gz POWRJPLFJFEDMO-SFYCDEOASA-N 1 0 332.404 2.125 10 5 EEBERO Cn1cc([C@@H](NCc2csc([N+](=O)[O-])c2)C2(CO)CCC2)cn1 ZINC000595499961 468876760 /nfs/dbraw/zinc/87/67/60/468876760.db2.gz PKQHUUFNHXAHHO-CQSZACIVSA-N 1 0 336.417 2.383 10 5 EEBERO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593189683 468900268 /nfs/dbraw/zinc/90/02/68/468900268.db2.gz YENXRRLYULCQQF-MXWKQRLJSA-N 1 0 341.358 2.355 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595635381 468932778 /nfs/dbraw/zinc/93/27/78/468932778.db2.gz ULZCYESIFWZRRQ-KCPJHIHWSA-N 1 0 326.368 2.390 10 5 EEBERO C[NH2+]Cc1ccccc1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593319287 468937673 /nfs/dbraw/zinc/93/76/73/468937673.db2.gz UMZJEYYIXGWRKV-UHFFFAOYSA-N 1 0 343.383 2.375 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000601793157 469029555 /nfs/dbraw/zinc/02/95/55/469029555.db2.gz ZUJFZUGBVCRLAH-UHFFFAOYSA-N 1 0 335.404 2.306 10 5 EEBERO Cc1ccc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593617278 469060581 /nfs/dbraw/zinc/06/05/81/469060581.db2.gz ZKJXQYVZHWVTKL-UHFFFAOYSA-N 1 0 343.449 2.159 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CC[N@@H+]1C1CCCC1)OCCO2 ZINC000598999130 469082937 /nfs/dbraw/zinc/08/29/37/469082937.db2.gz JVCLGEUGVHVDQJ-HNNXBMFYSA-N 1 0 347.415 2.473 10 5 EEBERO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000593676378 469091240 /nfs/dbraw/zinc/09/12/40/469091240.db2.gz GNHNWMXCXZWXMW-UHFFFAOYSA-N 1 0 335.379 2.410 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000595993027 469108436 /nfs/dbraw/zinc/10/84/36/469108436.db2.gz VENPHEKNXRYPMX-UGSOOPFHSA-N 1 0 346.431 2.313 10 5 EEBERO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599552617 469290820 /nfs/dbraw/zinc/29/08/20/469290820.db2.gz GDLYVVRPDUZJBA-CABCVRRESA-N 1 0 347.440 2.454 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CCO1 ZINC000596567971 469303281 /nfs/dbraw/zinc/30/32/81/469303281.db2.gz XACANRSQKBQWMV-HNNXBMFYSA-N 1 0 348.447 2.416 10 5 EEBERO C[C@@H]1CC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000602550991 469358296 /nfs/dbraw/zinc/35/82/96/469358296.db2.gz ATCVZNYNGPZZSL-LDYMZIIASA-N 1 0 342.193 2.228 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000749645846 577979399 /nfs/dbraw/zinc/97/93/99/577979399.db2.gz IHFZDFBPYQJVPU-LSDHHAIUSA-N 1 0 330.340 2.058 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895721487 684699029 /nfs/dbraw/zinc/69/90/29/684699029.db2.gz BZFSAEKDVAPISI-IMMZDGJCSA-N 1 0 332.400 2.471 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)COC(C)(C)C ZINC001481222967 1180350761 /nfs/dbraw/zinc/35/07/61/1180350761.db2.gz PCYOEXFXXNCULG-UHFFFAOYSA-N 1 0 329.422 2.019 10 5 EEBERO Cc1cnccc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001483005587 1187987950 /nfs/dbraw/zinc/98/79/50/1187987950.db2.gz BYVQFXVFABRNGT-IHWYPQMZSA-N 1 0 340.383 2.374 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CCOCC1 ZINC001483497973 1190514370 /nfs/dbraw/zinc/51/43/70/1190514370.db2.gz HTXDASZAIVBRMI-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)C1CCOCC1 ZINC001484621182 1191444815 /nfs/dbraw/zinc/44/48/15/1191444815.db2.gz OQVGSJIHFHDQTK-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CCSC1 ZINC000872217142 1198091983 /nfs/dbraw/zinc/09/19/83/1198091983.db2.gz NZSYRRNMGUFSMO-OLZOCXBDSA-N 1 0 326.418 2.067 10 5 EEBERO COc1ccc(C[NH2+]C2CCC(CNC(C)=O)CC2)cc1[N+](=O)[O-] ZINC000865434198 1198215459 /nfs/dbraw/zinc/21/54/59/1198215459.db2.gz AAUCWWUXUYXVAQ-UHFFFAOYSA-N 1 0 335.404 2.388 10 5 EEBERO CC1(C)CC[NH2+]CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000866700146 1201583871 /nfs/dbraw/zinc/58/38/71/1201583871.db2.gz RPCUXIQVWWUTGI-UHFFFAOYSA-N 1 0 331.376 2.219 10 5 EEBERO CCc1n[nH]cc1C(=O)NC/C=C\CNCc1csc([N+](=O)[O-])c1 ZINC001274154899 1204413469 /nfs/dbraw/zinc/41/34/69/1204413469.db2.gz XVPPDODLHUNYKF-ARJAWSKDSA-N 1 0 349.416 2.018 10 5 EEBERO C/C(=C/C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000887928969 1204510362 /nfs/dbraw/zinc/51/03/62/1204510362.db2.gz CQULBERMROSLDN-UTCNALHMSA-N 1 0 329.400 2.408 10 5 EEBERO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000926088501 1206190034 /nfs/dbraw/zinc/19/00/34/1206190034.db2.gz BGHFSVFFJHNUEW-GMSGAONNSA-N 1 0 332.282 2.343 10 5 EEBERO C[NH+](C)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000928841528 1206426800 /nfs/dbraw/zinc/42/68/00/1206426800.db2.gz VZWZFCOWSNVXMN-INIZCTEOSA-N 1 0 328.372 2.413 10 5 EEBERO CCC[NH+]1CCC(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119681518 1229578851 /nfs/dbraw/zinc/57/88/51/1229578851.db2.gz ABETZXBUUXXVQJ-UHFFFAOYSA-N 1 0 347.462 2.057 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000903529599 1240817989 /nfs/dbraw/zinc/81/79/89/1240817989.db2.gz MBSLAQXUGMPRNF-HNNXBMFYSA-N 1 0 334.420 2.306 10 5 EEBERO C[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)CS1(=O)=O ZINC000850367764 1277202723 /nfs/dbraw/zinc/20/27/23/1277202723.db2.gz CWSCIUNAWPAXSL-MWLCHTKSSA-N 1 0 332.809 2.304 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000850503268 1277249898 /nfs/dbraw/zinc/24/98/98/1277249898.db2.gz VSLOPOWCUMLTRZ-UJDVCPFMSA-N 1 0 337.420 2.394 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)c1 ZINC000853966058 1292561336 /nfs/dbraw/zinc/56/13/36/1292561336.db2.gz OIVMQDFGMCDCOX-ZDUSSCGKSA-N 1 0 325.796 2.284 10 5 EEBERO CC[C@H](C)[N@H+](C)CCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863503867 1296311461 /nfs/dbraw/zinc/31/14/61/1296311461.db2.gz SPUXXMBRFLMSPU-SJCJKPOMSA-N 1 0 348.403 2.092 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927038769 1296995215 /nfs/dbraw/zinc/99/52/15/1296995215.db2.gz LGLXMTHLFIAJHB-UKAJUAJCSA-N 1 0 336.413 2.280 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC001155285774 1317538492 /nfs/dbraw/zinc/53/84/92/1317538492.db2.gz VSLBVCGIZASHLK-UHFFFAOYSA-N 1 0 342.399 2.366 10 5 EEBERO CC[N@H+](CCNc1c([N+](=O)[O-])cc(CO)c(C)c1[N+](=O)[O-])C1CC1 ZINC001252656560 1317657216 /nfs/dbraw/zinc/65/72/16/1317657216.db2.gz JETCCJVXZJBIQE-UHFFFAOYSA-N 1 0 338.364 2.200 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC001261851737 1322186384 /nfs/dbraw/zinc/18/63/84/1322186384.db2.gz FMDOVOOQBJDBDF-LBPRGKRZSA-N 1 0 330.388 2.400 10 5 EEBERO C[N@H+](CCCNC(=O)c1cc(F)c[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001265012744 1322858778 /nfs/dbraw/zinc/85/87/78/1322858778.db2.gz PEFIGKPSVHPWFR-UHFFFAOYSA-N 1 0 334.351 2.314 10 5 EEBERO CCCN(C(=O)COC)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001265335776 1323083554 /nfs/dbraw/zinc/08/35/54/1323083554.db2.gz GYPUOTUFVIGHCQ-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO O=C(NCCNc1ccccc1[N+](=O)[O-])C1C[NH+](C2CCCCC2)C1 ZINC001290275043 1328169036 /nfs/dbraw/zinc/16/90/36/1328169036.db2.gz LALGKKJOBYKMQC-UHFFFAOYSA-N 1 0 346.431 2.387 10 5 EEBERO CCn1cnc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001320071915 1332819117 /nfs/dbraw/zinc/81/91/17/1332819117.db2.gz CPHVYVCUPGNLJV-UHFFFAOYSA-N 1 0 345.403 2.015 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=COCCC1 ZINC001320998028 1332994079 /nfs/dbraw/zinc/99/40/79/1332994079.db2.gz HCUGPFKOACXCFC-OWOJBTEDSA-N 1 0 331.372 2.051 10 5 EEBERO Cc1cc[nH]c1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001322493877 1333271468 /nfs/dbraw/zinc/27/14/68/1333271468.db2.gz PPDASSFGQUOLEO-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccsc2)CC1 ZINC001324864605 1333776480 /nfs/dbraw/zinc/77/64/80/1333776480.db2.gz PEYXOTPXXPYEBX-ZIAGYGMSSA-N 1 0 337.445 2.132 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001558910853 1342492172 /nfs/dbraw/zinc/49/21/72/1342492172.db2.gz ZZYWNQMDGGVPCA-OAHLLOKOSA-N 1 0 340.383 2.475 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@]23CC[N@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC001583055942 1344869686 /nfs/dbraw/zinc/86/96/86/1344869686.db2.gz WXKLMAQQDDIROS-MRXNPFEDSA-N 1 0 348.359 2.027 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC001632797812 1352602279 /nfs/dbraw/zinc/60/22/79/1352602279.db2.gz VSGUJHBRLIZCKF-UHFFFAOYSA-N 1 0 335.404 2.407 10 5 EEBERO CCc1nc(C(=O)N(CC)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001668408887 1355935790 /nfs/dbraw/zinc/93/57/90/1355935790.db2.gz GJWHJHIHBRHMLB-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(=O)C(C)(C)C ZINC001670047277 1356266359 /nfs/dbraw/zinc/26/63/59/1356266359.db2.gz WWBAWYOMAUHZRN-UHFFFAOYSA-N 1 0 341.433 2.210 10 5 EEBERO CC(C)(O)CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001698808432 1405082611 /nfs/dbraw/zinc/08/26/11/1405082611.db2.gz IWCBQSQDMWGLMB-UHFFFAOYSA-N 1 0 349.431 2.274 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC001167455677 759608765 /nfs/dbraw/zinc/60/87/65/759608765.db2.gz WBCPRBLZJZMNKS-UHFFFAOYSA-N 1 0 337.807 2.487 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c1 ZINC000912377940 788131545 /nfs/dbraw/zinc/13/15/45/788131545.db2.gz HDJQJZWMUPSYOK-SFHVURJKSA-N 1 0 347.415 2.273 10 5 EEBERO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912900211 788460340 /nfs/dbraw/zinc/46/03/40/788460340.db2.gz HVMFPKBPHWRLKU-JTQLQIEISA-N 1 0 327.743 2.308 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536329 789737294 /nfs/dbraw/zinc/73/72/94/789737294.db2.gz KGYZHSRCHQRURN-CXAGYDPISA-N 1 0 332.404 2.140 10 5 EEBERO Cc1c(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cccc1[N+](=O)[O-] ZINC000913945453 794624270 /nfs/dbraw/zinc/62/42/70/794624270.db2.gz NSYHIHHRRVUQHA-HNNXBMFYSA-N 1 0 340.401 2.098 10 5 EEBERO Cc1ccnc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001472906391 1110565780 /nfs/dbraw/zinc/56/57/80/1110565780.db2.gz JBJIYZLZVCKRQK-HNNXBMFYSA-N 1 0 330.363 2.458 10 5 EEBERO O=C(Cc1ccco1)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001479403168 1110692103 /nfs/dbraw/zinc/69/21/03/1110692103.db2.gz USIAUQATGKIOCS-SHTZXODSSA-N 1 0 343.383 2.415 10 5 EEBERO C[NH+](C)[C@@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC001545186910 1124182809 /nfs/dbraw/zinc/18/28/09/1124182809.db2.gz PWPGWLXHHISTHT-CQSZACIVSA-N 1 0 343.836 2.415 10 5 EEBERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179571027 233172379 /nfs/dbraw/zinc/17/23/79/233172379.db2.gz KXTDWLCWOJKIQG-RYUDHWBXSA-N 1 0 330.388 2.170 10 5 EEBERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179571041 233175231 /nfs/dbraw/zinc/17/52/31/233175231.db2.gz KXTDWLCWOJKIQG-VXGBXAGGSA-N 1 0 330.388 2.170 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000423977228 291280941 /nfs/dbraw/zinc/28/09/41/291280941.db2.gz UPGCMIDBSZTWKP-YDHLFZDLSA-N 1 0 346.431 2.393 10 5 EEBERO COc1cc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000451411874 243103988 /nfs/dbraw/zinc/10/39/88/243103988.db2.gz NALWSWKYZIPADC-UHFFFAOYSA-N 1 0 335.404 2.484 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)C1CC1 ZINC000125476120 143742618 /nfs/dbraw/zinc/74/26/18/143742618.db2.gz GYPRCPRMOWHOPI-FUHWJXTLSA-N 1 0 334.416 2.295 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1ccccc1 ZINC000249488865 160381116 /nfs/dbraw/zinc/38/11/16/160381116.db2.gz UWCCCTRQHBZMIL-IAGOWNOFSA-N 1 0 340.383 2.352 10 5 EEBERO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(=O)NCC[NH+](C)C ZINC000129487112 292358826 /nfs/dbraw/zinc/35/88/26/292358826.db2.gz QPEAPBHLBFUQFQ-HNNXBMFYSA-N 1 0 340.399 2.238 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000104404936 159286150 /nfs/dbraw/zinc/28/61/50/159286150.db2.gz VZTKGJABIQEIID-UHFFFAOYSA-N 1 0 348.359 2.203 10 5 EEBERO Cc1nc(CN2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000105867014 159309658 /nfs/dbraw/zinc/30/96/58/159309658.db2.gz BPMLXBUSZKXODB-UHFFFAOYSA-N 1 0 345.403 2.037 10 5 EEBERO C[NH+](C)CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000185098031 160027218 /nfs/dbraw/zinc/02/72/18/160027218.db2.gz CQKYXNACSNZXSN-UHFFFAOYSA-N 1 0 347.462 2.057 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000194529047 160196192 /nfs/dbraw/zinc/19/61/92/160196192.db2.gz SSGCUWPUBJLWMC-CYBMUJFWSA-N 1 0 343.343 2.267 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CC[N@@H+]4CCCC[C@H]4C3)n2)c1 ZINC000246267883 160271250 /nfs/dbraw/zinc/27/12/50/160271250.db2.gz ZMLYDNXGQRBSLP-HNNXBMFYSA-N 1 0 343.387 2.315 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000246764565 160293629 /nfs/dbraw/zinc/29/36/29/160293629.db2.gz UEXDVOPUVHJHAI-FZMZJTMJSA-N 1 0 337.807 2.486 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000246839672 160296614 /nfs/dbraw/zinc/29/66/14/160296614.db2.gz BLYMHMIAQBXGSS-CABCVRRESA-N 1 0 347.415 2.449 10 5 EEBERO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000247299260 160319298 /nfs/dbraw/zinc/31/92/98/160319298.db2.gz UVAINDCFHXYUJY-TZMCWYRMSA-N 1 0 344.371 2.223 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352417886 162128550 /nfs/dbraw/zinc/12/85/50/162128550.db2.gz VUAQQZKPRKOALH-OAHLLOKOSA-N 1 0 347.415 2.438 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000122983744 222194845 /nfs/dbraw/zinc/19/48/45/222194845.db2.gz YKSXARXKUJGAQL-NWDGAFQWSA-N 1 0 339.367 2.054 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000373759122 274099662 /nfs/dbraw/zinc/09/96/62/274099662.db2.gz HIMXYZYJSXMCTP-DZGCQCFKSA-N 1 0 333.388 2.094 10 5 EEBERO COC(=O)c1cc(C)nc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000286320628 274859665 /nfs/dbraw/zinc/85/96/65/274859665.db2.gz ZRWOWCXDTWMDSM-UHFFFAOYSA-N 1 0 336.392 2.373 10 5 EEBERO CCn1cc([N+](=O)[O-])c(=O)c2cc(F)c(N3C[C@H](C)[NH2+][C@@H](C)C3)cc21 ZINC000005393655 276715363 /nfs/dbraw/zinc/71/53/63/276715363.db2.gz DMJRIWIYFASLJV-QWRGUYRKSA-N 1 0 348.378 2.255 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415648960 313159944 /nfs/dbraw/zinc/15/99/44/313159944.db2.gz CRIYWMLOROUOKB-YPMHNXCESA-N 1 0 334.376 2.209 10 5 EEBERO CN(CCC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1cc[nH+]cc1 ZINC000542786677 318139995 /nfs/dbraw/zinc/13/99/95/318139995.db2.gz VMJVCBWPSMOCRY-UHFFFAOYSA-N 1 0 326.356 2.405 10 5 EEBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nnc3ccccn32)n1 ZINC000351498446 465187668 /nfs/dbraw/zinc/18/76/68/465187668.db2.gz ZOUHBMJBRYCSOC-OLZOCXBDSA-N 1 0 341.375 2.108 10 5 EEBERO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347889016 465288269 /nfs/dbraw/zinc/28/82/69/465288269.db2.gz JHBYZHCAFBHWCI-ZDUSSCGKSA-N 1 0 328.372 2.385 10 5 EEBERO Cc1ccc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000080611646 463336580 /nfs/dbraw/zinc/33/65/80/463336580.db2.gz ZLOIGVQJAAUXMX-MRXNPFEDSA-N 1 0 332.448 2.367 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000124998399 463489597 /nfs/dbraw/zinc/48/95/97/463489597.db2.gz UUUWXLWBRATKCK-DOMZBBRYSA-N 1 0 333.388 2.094 10 5 EEBERO COC[C@](C)([NH3+])CNc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072284410 463496954 /nfs/dbraw/zinc/49/69/54/463496954.db2.gz ZYWJMGHRMSGDPF-MRXNPFEDSA-N 1 0 331.376 2.136 10 5 EEBERO COc1ccc(OCCN2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177751697 463782004 /nfs/dbraw/zinc/78/20/04/463782004.db2.gz MUYSJGQDRBNULI-CQSZACIVSA-N 1 0 335.404 2.152 10 5 EEBERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000188041600 464185842 /nfs/dbraw/zinc/18/58/42/464185842.db2.gz ZEKOTXKTSXXAFB-BXUZGUMPSA-N 1 0 335.404 2.467 10 5 EEBERO Cc1cc(OCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000281312613 464410588 /nfs/dbraw/zinc/41/05/88/464410588.db2.gz INBYCXVDBDIJTA-GOOCMWNKSA-N 1 0 347.415 2.414 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000174844987 464457054 /nfs/dbraw/zinc/45/70/54/464457054.db2.gz XLVQYIGTKSVVFA-AWEZNQCLSA-N 1 0 330.344 2.357 10 5 EEBERO O=[N+]([O-])c1cnn(CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000174863967 464460197 /nfs/dbraw/zinc/46/01/97/464460197.db2.gz JPENFDGIYLDFJO-INIZCTEOSA-N 1 0 335.452 2.379 10 5 EEBERO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1CCO ZINC000190238461 464611439 /nfs/dbraw/zinc/61/14/39/464611439.db2.gz MIYPEMLCOQZBRN-CQSZACIVSA-N 1 0 345.399 2.353 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000599918195 468413413 /nfs/dbraw/zinc/41/34/13/468413413.db2.gz WSHIKPXZGCOWNW-KBPBESRZSA-N 1 0 349.435 2.145 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000247464634 464682574 /nfs/dbraw/zinc/68/25/74/464682574.db2.gz RDCYGDZTAQELHU-YPMHNXCESA-N 1 0 328.372 2.385 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000176286027 464740073 /nfs/dbraw/zinc/74/00/73/464740073.db2.gz JPGNGFXZTVIRJQ-CVEARBPZSA-N 1 0 330.388 2.379 10 5 EEBERO COC(=O)c1cc(C)nc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000286023253 464777855 /nfs/dbraw/zinc/77/78/55/464777855.db2.gz AQBSHIRAXIVPTM-RYUDHWBXSA-N 1 0 336.392 2.004 10 5 EEBERO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000176859834 464869107 /nfs/dbraw/zinc/86/91/07/464869107.db2.gz MCYXSALBUGKAHB-LLVKDONJSA-N 1 0 329.422 2.051 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007074 468435663 /nfs/dbraw/zinc/43/56/63/468435663.db2.gz OYPIOCXZYAWPJE-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000554859436 468447321 /nfs/dbraw/zinc/44/73/21/468447321.db2.gz KVIWNUBERIAROQ-ZWNOBZJWSA-N 1 0 349.416 2.192 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC000362483102 465774286 /nfs/dbraw/zinc/77/42/86/465774286.db2.gz HUKYKMLDHVEFBI-ZDUSSCGKSA-N 1 0 335.404 2.407 10 5 EEBERO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362526804 465806667 /nfs/dbraw/zinc/80/66/67/465806667.db2.gz VJUGZXXMFOOWAU-LLVKDONJSA-N 1 0 341.358 2.264 10 5 EEBERO CC[N@@H+]1CC[C@H](CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353446070 465888847 /nfs/dbraw/zinc/88/88/47/465888847.db2.gz ZNHVCRMPXZEQCQ-PBHICJAKSA-N 1 0 343.431 2.349 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301387546 465952572 /nfs/dbraw/zinc/95/25/72/465952572.db2.gz XYSQYTGSEPEZLM-UHFFFAOYSA-N 1 0 346.431 2.267 10 5 EEBERO Nc1nccc([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990996 466058940 /nfs/dbraw/zinc/05/89/40/466058940.db2.gz WBUTXGSRMSWVAF-CYBMUJFWSA-N 1 0 343.387 2.225 10 5 EEBERO C[NH+](C)CC1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCC1 ZINC000302139034 466103894 /nfs/dbraw/zinc/10/38/94/466103894.db2.gz CUBIYKFUVURSEW-UHFFFAOYSA-N 1 0 348.403 2.460 10 5 EEBERO CN(CC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000361609773 466141387 /nfs/dbraw/zinc/14/13/87/466141387.db2.gz KBNBYLLYUOQKFC-UHFFFAOYSA-N 1 0 348.447 2.412 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417707268 466914491 /nfs/dbraw/zinc/91/44/91/466914491.db2.gz AQSCCUIWCVJAFE-CZUORRHYSA-N 1 0 334.420 2.215 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365848618 466962061 /nfs/dbraw/zinc/96/20/61/466962061.db2.gz ODEISQBLKHFJQL-UHFFFAOYSA-N 1 0 343.387 2.619 10 5 EEBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418583497 467131961 /nfs/dbraw/zinc/13/19/61/467131961.db2.gz WOZNMOLQLSMPPL-SWLSCSKDSA-N 1 0 332.404 2.267 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000378261269 467245656 /nfs/dbraw/zinc/24/56/56/467245656.db2.gz BEERJEFHRQCWLB-AWEZNQCLSA-N 1 0 332.404 2.102 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000450397926 467842352 /nfs/dbraw/zinc/84/23/52/467842352.db2.gz WQDLJPLIRQYHRG-NVXWUHKLSA-N 1 0 342.399 2.285 10 5 EEBERO Cc1ccc(NCCCNC(=O)C[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000578521644 468213250 /nfs/dbraw/zinc/21/32/50/468213250.db2.gz ZGOORWPOBCAMQQ-AWEZNQCLSA-N 1 0 334.420 2.163 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594258679 468532679 /nfs/dbraw/zinc/53/26/79/468532679.db2.gz URPWHFVKENNWFT-JNSHFYNHSA-N 1 0 334.420 2.469 10 5 EEBERO CC[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000594307995 468547687 /nfs/dbraw/zinc/54/76/87/468547687.db2.gz HRYWXJOESLDHCH-OAHLLOKOSA-N 1 0 345.403 2.234 10 5 EEBERO COc1ccc(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000591893336 468552374 /nfs/dbraw/zinc/55/23/74/468552374.db2.gz VQDIFARSENAOGK-LSDHHAIUSA-N 1 0 347.415 2.137 10 5 EEBERO Cc1nc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000591985875 468590701 /nfs/dbraw/zinc/59/07/01/468590701.db2.gz PJEUCIHJKVKJQF-CVEARBPZSA-N 1 0 326.400 3.056 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000597625366 468620061 /nfs/dbraw/zinc/62/00/61/468620061.db2.gz AOSBZESGUYRNOV-ZDUSSCGKSA-N 1 0 328.372 2.124 10 5 EEBERO Cc1c(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000570359534 468627254 /nfs/dbraw/zinc/62/72/54/468627254.db2.gz FDJBSRRYQSLREF-UHFFFAOYSA-N 1 0 345.403 2.406 10 5 EEBERO C[C@@H]1CC[C@@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600711642 468628640 /nfs/dbraw/zinc/62/86/40/468628640.db2.gz TVEBFBROCOPEGM-XPKDYRNWSA-N 1 0 329.404 2.148 10 5 EEBERO C[C@@H]1[C@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000592801564 468789881 /nfs/dbraw/zinc/78/98/81/468789881.db2.gz ZLINWQJXDKBRST-BXUZGUMPSA-N 1 0 330.388 2.075 10 5 EEBERO CCc1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598539600 468906657 /nfs/dbraw/zinc/90/66/57/468906657.db2.gz IVZOGEZDHZWQOD-MRXNPFEDSA-N 1 0 349.431 2.340 10 5 EEBERO COCC[NH2+]C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593316647 468936855 /nfs/dbraw/zinc/93/68/55/468936855.db2.gz VFPUIGIMBNQJGV-UHFFFAOYSA-N 1 0 327.812 2.449 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000601776595 469018490 /nfs/dbraw/zinc/01/84/90/469018490.db2.gz PYBPQYPEVGAVAZ-UHFFFAOYSA-N 1 0 329.360 2.310 10 5 EEBERO C[NH2+]C[C@H](C)NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595981519 469106564 /nfs/dbraw/zinc/10/65/64/469106564.db2.gz DNPFRWNEEZELPW-OLZOCXBDSA-N 1 0 334.420 2.169 10 5 EEBERO Cc1c(Br)c(NCC23CC(C2)C[NH2+]3)ncc1[N+](=O)[O-] ZINC000596026328 469121542 /nfs/dbraw/zinc/12/15/42/469121542.db2.gz HJICSZBPLQGUJA-UHFFFAOYSA-N 1 0 327.182 2.225 10 5 EEBERO CC1(C)[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(F)F ZINC000596066980 469136841 /nfs/dbraw/zinc/13/68/41/469136841.db2.gz XDVOBLWEYOSFQR-GWCFXTLKSA-N 1 0 330.331 2.215 10 5 EEBERO COC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130686 485597691 /nfs/dbraw/zinc/59/76/91/485597691.db2.gz IOWKNXSYDVNGNN-SHTZXODSSA-N 1 0 336.388 2.263 10 5 EEBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000339600181 517711470 /nfs/dbraw/zinc/71/14/70/517711470.db2.gz WAIOIZCEDYEQCE-KBRIMQKVSA-N 1 0 346.387 2.308 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000174964411 529304844 /nfs/dbraw/zinc/30/48/44/529304844.db2.gz ZJHLIHASBSSJPQ-UONOGXRCSA-N 1 0 333.388 2.302 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000175027527 529305217 /nfs/dbraw/zinc/30/52/17/529305217.db2.gz FGOKRXFGNQTOAW-QWHCGFSZSA-N 1 0 348.359 2.202 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000732034982 577142831 /nfs/dbraw/zinc/14/28/31/577142831.db2.gz IMGHSHRLEWHDHS-ZDUSSCGKSA-N 1 0 348.359 2.120 10 5 EEBERO O=C(CC[N@@H+]1CCC12CCOCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000769892123 577586501 /nfs/dbraw/zinc/58/65/01/577586501.db2.gz GVKQIYGIMNXKKP-UHFFFAOYSA-N 1 0 337.351 2.317 10 5 EEBERO COCC[N@@H+]1CCC[C@@H](NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000752059417 577765371 /nfs/dbraw/zinc/76/53/71/577765371.db2.gz ZBJOJBJNCQSGQZ-OBEJXRGXSA-N 1 0 347.415 2.225 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000756887986 577852421 /nfs/dbraw/zinc/85/24/21/577852421.db2.gz NCGOQRBJNCEHKL-ZBFHGGJFSA-N 1 0 343.387 2.312 10 5 EEBERO O=C(N1CC([NH+]2CCCC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000898597985 693390607 /nfs/dbraw/zinc/39/06/07/693390607.db2.gz MRTKAVBUEQFVSD-UHFFFAOYSA-N 1 0 329.400 2.323 10 5 EEBERO CNc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898848764 693484296 /nfs/dbraw/zinc/48/42/96/693484296.db2.gz PDWJTHIPUFZQIK-HUUCEWRRSA-N 1 0 332.404 2.239 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC(F)(F)F ZINC001268780700 1183699372 /nfs/dbraw/zinc/69/93/72/1183699372.db2.gz OKROCVBTRTWBIH-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO CCC1(C(=O)NCC2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCCC2)CC1 ZINC001270790470 1185389426 /nfs/dbraw/zinc/38/94/26/1185389426.db2.gz FMZDMUKVZGKKGM-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000842047652 1188244966 /nfs/dbraw/zinc/24/49/66/1188244966.db2.gz RHBJVOCZWVJDSM-GHMZBOCLSA-N 1 0 336.417 2.096 10 5 EEBERO CC(C)c1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001483731920 1190838190 /nfs/dbraw/zinc/83/81/90/1190838190.db2.gz ALSOXPFTPFSSAD-HZPDHXFCSA-N 1 0 331.416 2.214 10 5 EEBERO CCc1ccccc1CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001273084198 1194375536 /nfs/dbraw/zinc/37/55/36/1194375536.db2.gz FZNZLAOJISWUDK-IAGOWNOFSA-N 1 0 345.443 2.085 10 5 EEBERO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052227 1198035336 /nfs/dbraw/zinc/03/53/36/1198035336.db2.gz RIEYEFIOQIDJMY-SNVBAGLBSA-N 1 0 330.381 2.209 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880505418 1201506430 /nfs/dbraw/zinc/50/64/30/1201506430.db2.gz KTWPERXGSDOEAY-XYPHTWIQSA-N 1 0 336.388 2.026 10 5 EEBERO C[C@]([NH3+])(C(=O)NCC[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000867985494 1201720625 /nfs/dbraw/zinc/72/06/25/1201720625.db2.gz FSNXERDFNZWYOW-ZIAGYGMSSA-N 1 0 327.331 2.320 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000882697454 1201922095 /nfs/dbraw/zinc/92/20/95/1201922095.db2.gz FILYTTUNKKRERR-UHFFFAOYSA-N 1 0 346.431 2.014 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000869052735 1201930319 /nfs/dbraw/zinc/93/03/19/1201930319.db2.gz DGSSIPAKEXBPHJ-GJZGRUSLSA-N 1 0 332.404 2.329 10 5 EEBERO Cc1c(NC(=O)CCN[C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468261 1240563643 /nfs/dbraw/zinc/56/36/43/1240563643.db2.gz JGLOZGOQTPNTQE-OAHLLOKOSA-N 1 0 332.404 2.106 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001187913386 1279697517 /nfs/dbraw/zinc/69/75/17/1279697517.db2.gz KSGLTTNVQDRCSV-FPMFFAJLSA-N 1 0 333.388 2.442 10 5 EEBERO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000852905763 1292230560 /nfs/dbraw/zinc/23/05/60/1292230560.db2.gz BPHDMJCGFLKARH-RHSMWYFYSA-N 1 0 340.383 2.053 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000853990162 1292573239 /nfs/dbraw/zinc/57/32/39/1292573239.db2.gz JOKHZSBTMMFHHG-CYBMUJFWSA-N 1 0 338.364 2.050 10 5 EEBERO O=C(NCCC1CC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765710 1293910806 /nfs/dbraw/zinc/91/08/06/1293910806.db2.gz URCGLVVQSQABNT-UHFFFAOYSA-N 1 0 343.330 2.072 10 5 EEBERO Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858040542 1293992005 /nfs/dbraw/zinc/99/20/05/1293992005.db2.gz FDPLQUOFDUHHHA-IRXDYDNUSA-N 1 0 343.383 2.485 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOC2CCOCC2)n1 ZINC000927080520 1297010404 /nfs/dbraw/zinc/01/04/04/1297010404.db2.gz TXQVSDIFMGRZHZ-LSDHHAIUSA-N 1 0 338.408 2.060 10 5 EEBERO C[N@H+](CCCNC(=O)c1ccncc1F)Cc1ccccc1[N+](=O)[O-] ZINC001264973430 1322823168 /nfs/dbraw/zinc/82/31/68/1322823168.db2.gz XGJGDTJPLPWOCM-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CC[N@H+](CCCNC(=O)c1nc(C)c[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001265137605 1322941032 /nfs/dbraw/zinc/94/10/32/1322941032.db2.gz ZUGNHNWLNRNWSV-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001292809614 1328514412 /nfs/dbraw/zinc/51/44/12/1328514412.db2.gz FULANJHWGFJPDG-UHFFFAOYSA-N 1 0 336.392 2.032 10 5 EEBERO Cc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001319970674 1332803814 /nfs/dbraw/zinc/80/38/14/1332803814.db2.gz WGAZSWPUKSUCOI-UHFFFAOYSA-N 1 0 332.360 2.095 10 5 EEBERO CN(CCC[NH2+]Cc1ccc2ccccc2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322506055 1333273508 /nfs/dbraw/zinc/27/35/08/1333273508.db2.gz UWWDOYQDAPOCLP-QZTJIDSGSA-N 1 0 341.411 2.443 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC001323517636 1333480745 /nfs/dbraw/zinc/48/07/45/1333480745.db2.gz ADJMKPJRXJTUES-FICVDOATSA-N 1 0 329.400 2.379 10 5 EEBERO C[C@@]12COC[C@@H]1C[N@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C2 ZINC001333720849 1336114260 /nfs/dbraw/zinc/11/42/60/1336114260.db2.gz CWXPUCLVLWARTA-DOTOQJQBSA-N 1 0 328.372 2.384 10 5 EEBERO COCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC001566847142 1342640683 /nfs/dbraw/zinc/64/06/83/1342640683.db2.gz SKUHJKTYJRYPSD-GASCZTMLSA-N 1 0 347.415 2.148 10 5 EEBERO C[NH+](C)C1(C)CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC001632416631 1352596587 /nfs/dbraw/zinc/59/65/87/1352596587.db2.gz RDCZZABRNNHGRT-UHFFFAOYSA-N 1 0 338.383 2.309 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC001654567703 1354152241 /nfs/dbraw/zinc/15/22/41/1354152241.db2.gz CUYTYBOMRUZFJX-RYUDHWBXSA-N 1 0 331.376 2.315 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC001654584534 1354153056 /nfs/dbraw/zinc/15/30/56/1354153056.db2.gz SACIFRVZQPKAAE-CYBMUJFWSA-N 1 0 329.360 2.130 10 5 EEBERO CS(=O)(=O)c1ccc(NCc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC001655551124 1354177369 /nfs/dbraw/zinc/17/73/69/1354177369.db2.gz WQZJCKPTGBXLIZ-UHFFFAOYSA-N 1 0 346.368 2.258 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)ns1 ZINC001663903831 1355051387 /nfs/dbraw/zinc/05/13/87/1355051387.db2.gz XFYMUXDURDLDJX-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO O=C(NCCC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001698721107 1405025527 /nfs/dbraw/zinc/02/55/27/1405025527.db2.gz JGCXFEBJIXPLAD-HUUCEWRRSA-N 1 0 337.445 2.132 10 5 EEBERO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C[C@@]1(C)C[NH3+] ZINC000818008096 785163550 /nfs/dbraw/zinc/16/35/50/785163550.db2.gz PLPVHNYCKFLGIG-FZKQIMNGSA-N 1 0 346.431 2.252 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818579627 785297248 /nfs/dbraw/zinc/29/72/48/785297248.db2.gz KTNCGJVBMWXWDU-UFBFGSQYSA-N 1 0 329.759 2.044 10 5 EEBERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911473419 787466904 /nfs/dbraw/zinc/46/69/04/787466904.db2.gz CFDWFZSHDYVLQD-NXEZZACHSA-N 1 0 327.331 2.362 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC([NH+]2CCC2)CC1 ZINC000912875699 788439348 /nfs/dbraw/zinc/43/93/48/788439348.db2.gz NAACADDLPGLAIN-UHFFFAOYSA-N 1 0 340.383 2.453 10 5 EEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912923767 788474706 /nfs/dbraw/zinc/47/47/06/788474706.db2.gz IVKUIFIDEXLDSC-OCCSQVGLSA-N 1 0 335.429 2.382 10 5 EEBERO CC(C)Oc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)ccc1[N+](=O)[O-] ZINC000912904639 788484133 /nfs/dbraw/zinc/48/41/33/788484133.db2.gz SLIICDXSAUXFBL-AWEZNQCLSA-N 1 0 333.388 2.302 10 5 EEBERO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000844309752 788975649 /nfs/dbraw/zinc/97/56/49/788975649.db2.gz JVZIMQATHGGXBY-MRXNPFEDSA-N 1 0 338.360 2.203 10 5 EEBERO C[C@@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC001176029388 798323249 /nfs/dbraw/zinc/32/32/49/798323249.db2.gz UQITXOWHMYTRJM-LLVKDONJSA-N 1 0 347.396 2.306 10 5 EEBERO CC(=O)NCCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929271554 799549302 /nfs/dbraw/zinc/54/93/02/799549302.db2.gz ZHCKIJRLGRNBFS-UHFFFAOYSA-N 1 0 334.420 2.023 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC001170548561 812583569 /nfs/dbraw/zinc/58/35/69/812583569.db2.gz HGLCNCVSEIMZMX-HNNXBMFYSA-N 1 0 348.330 2.344 10 5 EEBERO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCOC1 ZINC001460791005 1110324282 /nfs/dbraw/zinc/32/42/82/1110324282.db2.gz SAWHRFJMLYNKDB-ABAIWWIYSA-N 1 0 334.376 2.002 10 5 EEBERO C[N@H+]1CC=C(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001466402581 1110435047 /nfs/dbraw/zinc/43/50/47/1110435047.db2.gz GANUMLPFBGAKMD-UHFFFAOYSA-N 1 0 340.383 2.322 10 5 EEBERO CC(C)(C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001479287367 1110676306 /nfs/dbraw/zinc/67/63/06/1110676306.db2.gz ZMQRDNCWNSJCDB-XBXGTLAGSA-N 1 0 347.415 2.194 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cccnc1 ZINC001499148439 1112150524 /nfs/dbraw/zinc/15/05/24/1112150524.db2.gz FEGZTQDKYDMRST-UHFFFAOYSA-N 1 0 326.356 2.042 10 5 EEBERO Cc1nc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)co1 ZINC001501942218 1113531275 /nfs/dbraw/zinc/53/12/75/1113531275.db2.gz JSLQMDHYRLIFNY-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001526408992 1120514480 /nfs/dbraw/zinc/51/44/80/1120514480.db2.gz SUIGRCOXZZZRPJ-NSHDSACASA-N 1 0 338.360 2.253 10 5 EEBERO CC[N@H+](C)CCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000054131609 214217477 /nfs/dbraw/zinc/21/74/77/214217477.db2.gz FTEWHZYAEJFMQW-UHFFFAOYSA-N 1 0 330.182 2.039 10 5 EEBERO O=C(Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000037042085 213131600 /nfs/dbraw/zinc/13/16/00/213131600.db2.gz SZGQMXCPUURYDR-MRVPVSSYSA-N 1 0 328.166 2.295 10 5 EEBERO O=C1[C@@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451891583 243294830 /nfs/dbraw/zinc/29/48/30/243294830.db2.gz AGDMWTRTAWONAJ-WMZOPIPTSA-N 1 0 345.399 2.203 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451907362 243308270 /nfs/dbraw/zinc/30/82/70/243308270.db2.gz UVGPGDFNTHOQFQ-QGZVFWFLSA-N 1 0 333.388 2.426 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246763387 243312020 /nfs/dbraw/zinc/31/20/20/243312020.db2.gz ARBAHKDNGHCMQJ-MFKMUULPSA-N 1 0 348.359 2.120 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095490 217361720 /nfs/dbraw/zinc/36/17/20/217361720.db2.gz ZBBOOGRVMUBALU-RHSMWYFYSA-N 1 0 348.447 2.220 10 5 EEBERO COc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000174739394 532951425 /nfs/dbraw/zinc/95/14/25/532951425.db2.gz MNCCSHGUBLUPDC-CYBMUJFWSA-N 1 0 337.420 2.132 10 5 EEBERO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261593285 285109778 /nfs/dbraw/zinc/10/97/78/285109778.db2.gz MWRDEGPODQXWEX-NXEZZACHSA-N 1 0 326.194 2.403 10 5 EEBERO CCn1cc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3C)CC2)cn1 ZINC000112695503 220375598 /nfs/dbraw/zinc/37/55/98/220375598.db2.gz HEPDHHSRJGEBAO-UHFFFAOYSA-N 1 0 344.419 2.227 10 5 EEBERO CC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000270861352 256180710 /nfs/dbraw/zinc/18/07/10/256180710.db2.gz JXFJVQMSLLCHPV-UKRRQHHQSA-N 1 0 343.374 2.290 10 5 EEBERO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCCO1 ZINC000117338344 140773233 /nfs/dbraw/zinc/77/32/33/140773233.db2.gz MEQKVYHDWMWNII-CYBMUJFWSA-N 1 0 335.360 2.004 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000191713764 152269087 /nfs/dbraw/zinc/26/90/87/152269087.db2.gz JLZBDZIKWLZSBT-WBMJQRKESA-N 1 0 345.403 2.232 10 5 EEBERO COC(=O)[C@H](C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000357657453 153272132 /nfs/dbraw/zinc/27/21/32/153272132.db2.gz ZHXSPNAMUUAQLZ-CQSZACIVSA-N 1 0 346.387 2.103 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371242307 153963540 /nfs/dbraw/zinc/96/35/40/153963540.db2.gz GBYMZPUYXZEBNM-NHYWBVRUSA-N 1 0 348.359 2.107 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000127942195 292333296 /nfs/dbraw/zinc/33/32/96/292333296.db2.gz KZRMHAAFVUALNH-CYBMUJFWSA-N 1 0 334.420 2.256 10 5 EEBERO COc1ccc2c(c1)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090539618 159197096 /nfs/dbraw/zinc/19/70/96/159197096.db2.gz MWIOCCKONHDTLK-HNNXBMFYSA-N 1 0 332.360 2.303 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@]2(C1)CCCOC2 ZINC000341991606 161029790 /nfs/dbraw/zinc/02/97/90/161029790.db2.gz NUKPTDZXCZBYJB-QGZVFWFLSA-N 1 0 333.388 2.344 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](CO)c2cccnc2)n1 ZINC000348206450 161484924 /nfs/dbraw/zinc/48/49/24/161484924.db2.gz LTSSZSKUHPOYPB-ARFHVFGLSA-N 1 0 345.403 2.036 10 5 EEBERO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1[N+](=O)[O-] ZINC000352781140 162284589 /nfs/dbraw/zinc/28/45/89/162284589.db2.gz XOSRBKMBRQARQJ-UONOGXRCSA-N 1 0 333.388 2.094 10 5 EEBERO C[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000362566707 164720776 /nfs/dbraw/zinc/72/07/76/164720776.db2.gz ZCWJYAGTCZJVCU-NSHDSACASA-N 1 0 341.358 2.264 10 5 EEBERO O=C(N[C@H]1CCc2[nH]cnc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364860291 165298812 /nfs/dbraw/zinc/29/88/12/165298812.db2.gz OSABPMSJQXXNBE-JTQLQIEISA-N 1 0 336.298 2.083 10 5 EEBERO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000171620185 227177617 /nfs/dbraw/zinc/17/76/17/227177617.db2.gz AXROKNSSFNXXFH-OAHLLOKOSA-N 1 0 331.376 2.292 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000187899658 268552746 /nfs/dbraw/zinc/55/27/46/268552746.db2.gz PPEOVSUYOSXJHE-DYVFJYSZSA-N 1 0 338.404 2.465 10 5 EEBERO Cc1csc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCC2)n1 ZINC000275238504 269103354 /nfs/dbraw/zinc/10/33/54/269103354.db2.gz WUOIEUZJAGIPRI-UHFFFAOYSA-N 1 0 334.401 2.190 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277609399 269162650 /nfs/dbraw/zinc/16/26/50/269162650.db2.gz ASJSNDFLFQSLBA-LLVKDONJSA-N 1 0 348.407 2.001 10 5 EEBERO CC[C@H](O)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000118752903 273754772 /nfs/dbraw/zinc/75/47/72/273754772.db2.gz LXLSYDMFVZBHHU-ZDUSSCGKSA-N 1 0 330.388 2.036 10 5 EEBERO CNC(=O)CCOC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000494982363 277227813 /nfs/dbraw/zinc/22/78/13/277227813.db2.gz XIHRUQMZKFRIMX-CYBMUJFWSA-N 1 0 335.404 2.273 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294740198 293532200 /nfs/dbraw/zinc/53/22/00/293532200.db2.gz CIQPJHFKTJUDCV-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295687075 293790009 /nfs/dbraw/zinc/79/00/09/293790009.db2.gz HVTWWOQCCTUJQT-UTLUCORTSA-N 1 0 329.784 2.182 10 5 EEBERO Cc1c(NC(=O)NCCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415659064 313163557 /nfs/dbraw/zinc/16/35/57/313163557.db2.gz OBHIQTYQVIJFJN-UHFFFAOYSA-N 1 0 331.170 2.136 10 5 EEBERO [NH3+][C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415705717 313169754 /nfs/dbraw/zinc/16/97/54/313169754.db2.gz UDUIATZAASFDIN-SECBINFHSA-N 1 0 343.181 2.312 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000565028981 319140363 /nfs/dbraw/zinc/14/03/63/319140363.db2.gz ROTBHGXOYMFNOQ-UHFFFAOYSA-N 1 0 329.360 2.345 10 5 EEBERO O=[N+]([O-])c1nn(Cc2ccc3c(c2)C[NH2+]CC3)cc1Br ZINC000567986726 319441642 /nfs/dbraw/zinc/44/16/42/319441642.db2.gz BRXKVXSFKFTTPC-UHFFFAOYSA-N 1 0 337.177 2.248 10 5 EEBERO Cc1csc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000184282896 323421891 /nfs/dbraw/zinc/42/18/91/323421891.db2.gz XTZGVJQWBAHWAS-RYUDHWBXSA-N 1 0 337.401 2.450 10 5 EEBERO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000358617227 465224176 /nfs/dbraw/zinc/22/41/76/465224176.db2.gz PQUIKZZBJCMGDF-UHFFFAOYSA-N 1 0 344.419 2.405 10 5 EEBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1n1cccn1 ZINC000339591271 465368410 /nfs/dbraw/zinc/36/84/10/465368410.db2.gz ANWMSXYQXFLADR-OAGGEKHMSA-N 1 0 334.351 2.439 10 5 EEBERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1n1cccn1 ZINC000339591272 465368541 /nfs/dbraw/zinc/36/85/41/465368541.db2.gz ANWMSXYQXFLADR-XHSDSOJGSA-N 1 0 334.351 2.439 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000113269208 462583026 /nfs/dbraw/zinc/58/30/26/462583026.db2.gz AYOMCBVWTGVRHT-SWLSCSKDSA-N 1 0 343.387 2.313 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605322 462592080 /nfs/dbraw/zinc/59/20/80/462592080.db2.gz APBMXHTUXLPPES-UHFFFAOYSA-N 1 0 346.431 2.484 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069440609 463246494 /nfs/dbraw/zinc/24/64/94/463246494.db2.gz KAWFVQPTZKOENQ-KRWDZBQOSA-N 1 0 341.411 2.426 10 5 EEBERO C[C@@]1(CNc2ncc([N+](=O)[O-])c(N)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000160794890 463371223 /nfs/dbraw/zinc/37/12/23/463371223.db2.gz BLECDSMZVSNVBT-KRWDZBQOSA-N 1 0 342.403 2.434 10 5 EEBERO CC[NH+](CC)CCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000058168003 463546778 /nfs/dbraw/zinc/54/67/78/463546778.db2.gz VSOIDIHNOMAOSS-UHFFFAOYSA-N 1 0 331.376 2.385 10 5 EEBERO O=C(Cn1ccc2c1cccc2[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000084493492 463607241 /nfs/dbraw/zinc/60/72/41/463607241.db2.gz PSJBJPWHAVTXND-UHFFFAOYSA-N 1 0 342.399 2.293 10 5 EEBERO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000170687736 463695641 /nfs/dbraw/zinc/69/56/41/463695641.db2.gz OFKIUQGAZUJUEP-CYBMUJFWSA-N 1 0 337.376 2.043 10 5 EEBERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000261623571 463805723 /nfs/dbraw/zinc/80/57/23/463805723.db2.gz GIXDVEDXRWTTOJ-DXCKQFNASA-N 1 0 333.388 2.374 10 5 EEBERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000284068330 464080234 /nfs/dbraw/zinc/08/02/34/464080234.db2.gz QIYSIAYZEXPEIL-FZMZJTMJSA-N 1 0 330.812 2.496 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@H]21 ZINC000285166048 464473898 /nfs/dbraw/zinc/47/38/98/464473898.db2.gz USCXXPBGRBAAKJ-CVEARBPZSA-N 1 0 328.372 2.052 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000175436299 464548470 /nfs/dbraw/zinc/54/84/70/464548470.db2.gz SQCAYJUGXOQSLR-CHWSQXEVSA-N 1 0 333.388 2.302 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176092073 464696870 /nfs/dbraw/zinc/69/68/70/464696870.db2.gz ASHVQTDVTSBAOU-AWEZNQCLSA-N 1 0 342.399 2.080 10 5 EEBERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183131459 464803840 /nfs/dbraw/zinc/80/38/40/464803840.db2.gz NQLKBHMQYUWKMU-NVXWUHKLSA-N 1 0 344.415 2.456 10 5 EEBERO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCCCO ZINC000276225870 464853562 /nfs/dbraw/zinc/85/35/62/464853562.db2.gz BTAWUIKHWFJWBT-JTQLQIEISA-N 1 0 329.784 2.280 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593913862 468430879 /nfs/dbraw/zinc/43/08/79/468430879.db2.gz XOLHZOFKFGDYOO-JJRVBVJISA-N 1 0 347.415 2.262 10 5 EEBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc([N+](=O)[O-])c1 ZINC000593919265 468433939 /nfs/dbraw/zinc/43/39/39/468433939.db2.gz PPEPFJUXWOROAU-OIISXLGYSA-N 1 0 347.415 2.404 10 5 EEBERO CC[N@@H+]1CC[C@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353446071 465888458 /nfs/dbraw/zinc/88/84/58/465888458.db2.gz ZNHVCRMPXZEQCQ-RHSMWYFYSA-N 1 0 343.431 2.349 10 5 EEBERO Cc1ccncc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361437715 465997302 /nfs/dbraw/zinc/99/73/02/465997302.db2.gz OOYLBNZNLGDCJR-MRXNPFEDSA-N 1 0 331.372 2.170 10 5 EEBERO COc1cc(NCC[NH+]2CCC(OC)CC2)c([N+](=O)[O-])cc1F ZINC000301656063 466003848 /nfs/dbraw/zinc/00/38/48/466003848.db2.gz VBTNACWDVFIGPL-UHFFFAOYSA-N 1 0 327.356 2.265 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000357932045 466329624 /nfs/dbraw/zinc/32/96/24/466329624.db2.gz CFXCVEOVXKMETQ-LBPRGKRZSA-N 1 0 333.388 2.374 10 5 EEBERO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000350174521 466414065 /nfs/dbraw/zinc/41/40/65/466414065.db2.gz CBTZITSLPKJDAY-LBPRGKRZSA-N 1 0 326.418 2.460 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341065821 466555899 /nfs/dbraw/zinc/55/58/99/466555899.db2.gz VDTNAHOGGCSLAG-TXEJJXNPSA-N 1 0 345.403 2.464 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)NCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000591679152 468501364 /nfs/dbraw/zinc/50/13/64/468501364.db2.gz CRJDYMKMPYPBSN-ZDUSSCGKSA-N 1 0 346.431 2.313 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)N(C)CCC[NH3+])cc2[N+](=O)[O-])C1 ZINC000591678741 468501102 /nfs/dbraw/zinc/50/11/02/468501102.db2.gz FPWWDEIJDYYWAG-ZDUSSCGKSA-N 1 0 334.420 2.252 10 5 EEBERO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000363872638 466642907 /nfs/dbraw/zinc/64/29/07/466642907.db2.gz CJJVEVAQTXCJGE-CQSZACIVSA-N 1 0 326.356 2.123 10 5 EEBERO COc1cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000418110028 467048623 /nfs/dbraw/zinc/04/86/23/467048623.db2.gz VUIAGZUHOJZBTR-AVCCJPFPSA-N 1 0 346.330 2.250 10 5 EEBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000408098902 467508915 /nfs/dbraw/zinc/50/89/15/467508915.db2.gz IBSXEHKBYQUUOB-MCIONIFRSA-N 1 0 344.419 2.479 10 5 EEBERO Cc1c(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)cccc1[N+](=O)[O-] ZINC000415314833 467541530 /nfs/dbraw/zinc/54/15/30/467541530.db2.gz KJSDEMQXBJHGRI-UHFFFAOYSA-N 1 0 348.403 2.010 10 5 EEBERO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449364538 467633902 /nfs/dbraw/zinc/63/39/02/467633902.db2.gz SCANMFKADWSKOM-CYBMUJFWSA-N 1 0 332.381 2.256 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000589496731 468157057 /nfs/dbraw/zinc/15/70/57/468157057.db2.gz IYJVRXUDNPAFQX-MRXNPFEDSA-N 1 0 347.415 2.442 10 5 EEBERO C[NH+](C)C1CCN(CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000519537075 468169159 /nfs/dbraw/zinc/16/91/59/468169159.db2.gz GYCCQUWKZOHQJH-UHFFFAOYSA-N 1 0 347.463 2.307 10 5 EEBERO CN(C)CC[N@H+](C)CCCN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000567747165 468201528 /nfs/dbraw/zinc/20/15/28/468201528.db2.gz ZOZCXCANDARJSZ-UHFFFAOYSA-N 1 0 349.479 2.188 10 5 EEBERO COc1cccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591891591 468551790 /nfs/dbraw/zinc/55/17/90/468551790.db2.gz AAUODHBGWOTQCF-GXTWGEPZSA-N 1 0 333.388 2.208 10 5 EEBERO CNc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600471231 468566773 /nfs/dbraw/zinc/56/67/73/468566773.db2.gz KBVSAWHYFOOSDU-CQSZACIVSA-N 1 0 332.404 2.383 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600710240 468629308 /nfs/dbraw/zinc/62/93/08/468629308.db2.gz MVYGKVLBHWQDEX-ARFHVFGLSA-N 1 0 329.404 2.148 10 5 EEBERO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178074 468646728 /nfs/dbraw/zinc/64/67/28/468646728.db2.gz OKHNNLWUDHZYBQ-MRXNPFEDSA-N 1 0 347.415 2.137 10 5 EEBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000592526023 468721233 /nfs/dbraw/zinc/72/12/33/468721233.db2.gz FORZVONNGNZOCZ-CQSZACIVSA-N 1 0 345.321 2.404 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000595026347 468745085 /nfs/dbraw/zinc/74/50/85/468745085.db2.gz KYUFIXGIBMKFSG-ZAZJYDDPSA-N 1 0 333.388 2.263 10 5 EEBERO Cc1cncc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000595092665 468757447 /nfs/dbraw/zinc/75/74/47/468757447.db2.gz YUWXOGSNRUGCFW-CABCVRRESA-N 1 0 330.392 2.206 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000598164820 468783200 /nfs/dbraw/zinc/78/32/00/468783200.db2.gz WQIKORVCVHJZBM-UHFFFAOYSA-N 1 0 341.795 2.037 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601355886 468837517 /nfs/dbraw/zinc/83/75/17/468837517.db2.gz AMVXBQVXKNJBIJ-MWLCHTKSSA-N 1 0 347.462 2.068 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593077116 468861831 /nfs/dbraw/zinc/86/18/31/468861831.db2.gz WURJOOXJJJMZFM-UHFFFAOYSA-N 1 0 345.403 2.497 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000593203199 468902975 /nfs/dbraw/zinc/90/29/75/468902975.db2.gz HQYJDSSPEGMYEE-UHFFFAOYSA-N 1 0 333.392 2.179 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598538104 468905925 /nfs/dbraw/zinc/90/59/25/468905925.db2.gz WRRDKDPJZWAMNI-UHFFFAOYSA-N 1 0 332.404 2.150 10 5 EEBERO C[C@@]1(C2CC2)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595627450 468929614 /nfs/dbraw/zinc/92/96/14/468929614.db2.gz ZKLOHNWURNNUEH-KRWDZBQOSA-N 1 0 333.388 2.424 10 5 EEBERO CC[C@H](C(=O)N[C@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000601782687 469022923 /nfs/dbraw/zinc/02/29/23/469022923.db2.gz ZVJUEPNKJRSGMB-NVXWUHKLSA-N 1 0 337.420 2.039 10 5 EEBERO CCOc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(F)cc1OC ZINC000598967885 469070914 /nfs/dbraw/zinc/07/09/14/469070914.db2.gz PKEWRESUSAYQAZ-UHFFFAOYSA-N 1 0 338.339 2.128 10 5 EEBERO Nc1cc(N2CCC([NH+]3CCCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587325795 469087934 /nfs/dbraw/zinc/08/79/34/469087934.db2.gz XUUCTHSQGWHLPN-UHFFFAOYSA-N 1 0 334.420 2.124 10 5 EEBERO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000562923536 469102717 /nfs/dbraw/zinc/10/27/17/469102717.db2.gz WHOQACPAOIXVFI-HNNXBMFYSA-N 1 0 330.388 2.265 10 5 EEBERO [NH3+]CC1(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000593717550 469107451 /nfs/dbraw/zinc/10/74/51/469107451.db2.gz CVLRUGNPWSFESU-UHFFFAOYSA-N 1 0 332.404 2.398 10 5 EEBERO O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CC[N@@H+]3C3CCCC3)c21 ZINC000599163105 469143284 /nfs/dbraw/zinc/14/32/84/469143284.db2.gz AYCPVIJMNUCTBI-ZDUSSCGKSA-N 1 0 327.388 2.967 10 5 EEBERO C[C@@]1(NC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000596125236 469167160 /nfs/dbraw/zinc/16/71/60/469167160.db2.gz NBVISTHZTMGJSZ-GFCCVEGCSA-N 1 0 343.181 2.231 10 5 EEBERO [NH3+]CCN(Cc1cn2cccc(F)c2n1)c1ccccc1[N+](=O)[O-] ZINC000589191327 469209555 /nfs/dbraw/zinc/20/95/55/469209555.db2.gz DJAYZXRKDWJOJY-UHFFFAOYSA-N 1 0 329.335 2.347 10 5 EEBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602173423 469225482 /nfs/dbraw/zinc/22/54/82/469225482.db2.gz PZJXDHMGAWQBGV-HZPDHXFCSA-N 1 0 347.415 2.403 10 5 EEBERO CC[C@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000611403268 469241856 /nfs/dbraw/zinc/24/18/56/469241856.db2.gz FKMCIEJENASEPH-WFASDCNBSA-N 1 0 326.418 2.460 10 5 EEBERO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCN(C2CC2)CC1 ZINC000611615127 469292812 /nfs/dbraw/zinc/29/28/12/469292812.db2.gz XVTICFWZHSAGFU-UHFFFAOYSA-N 1 0 341.314 2.116 10 5 EEBERO O=[N+]([O-])c1cccc(Cl)c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596538610 469296312 /nfs/dbraw/zinc/29/63/12/469296312.db2.gz MSNIHVBTSABOBR-GFCCVEGCSA-N 1 0 325.796 2.284 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000610044087 469976363 /nfs/dbraw/zinc/97/63/63/469976363.db2.gz QGGTVMLOGFOACO-UHFFFAOYSA-N 1 0 345.403 2.269 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263912759 535958196 /nfs/dbraw/zinc/95/81/96/535958196.db2.gz KKKKVOHADODWDN-MRXNPFEDSA-N 1 0 334.420 2.340 10 5 EEBERO CN(c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000733192193 577212593 /nfs/dbraw/zinc/21/25/93/577212593.db2.gz XUENDONKSLUJRY-CYBMUJFWSA-N 1 0 330.388 2.152 10 5 EEBERO C/C(=C\C(=O)NC[C@H](C)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752423331 577770805 /nfs/dbraw/zinc/77/08/05/577770805.db2.gz MUNCOHJEZSVOAR-AYYGCFCKSA-N 1 0 347.415 2.083 10 5 EEBERO C[NH+](C)CCCCCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000747769671 577949812 /nfs/dbraw/zinc/94/98/12/577949812.db2.gz VEIDBZBFZFPJDZ-UHFFFAOYSA-N 1 0 347.375 2.064 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000093434312 692576125 /nfs/dbraw/zinc/57/61/25/692576125.db2.gz QLJDPDYIUSRLJM-VIFPVBQESA-N 1 0 329.198 2.331 10 5 EEBERO Cc1c(CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC000898835966 693476677 /nfs/dbraw/zinc/47/66/77/693476677.db2.gz QRBSBEXQFLWYGT-CVEARBPZSA-N 1 0 331.416 2.435 10 5 EEBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccncc1 ZINC001481156242 1179944578 /nfs/dbraw/zinc/94/45/78/1179944578.db2.gz VJJYHTFHUQPNFD-UHFFFAOYSA-N 1 0 340.383 2.384 10 5 EEBERO Cc1ccn(C)c1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001481224458 1180354745 /nfs/dbraw/zinc/35/47/45/1180354745.db2.gz RFCKHSUHPWVFIY-UHFFFAOYSA-N 1 0 336.417 2.165 10 5 EEBERO Cc1c(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1C ZINC001268585477 1183376694 /nfs/dbraw/zinc/37/66/94/1183376694.db2.gz AQDPNQLSVHCBGI-ONEGZZNKSA-N 1 0 342.399 2.318 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cncs1 ZINC001482932399 1187841784 /nfs/dbraw/zinc/84/17/84/1187841784.db2.gz STTAVJXYBYCWLN-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC001687475522 1193520411 /nfs/dbraw/zinc/52/04/11/1193520411.db2.gz HYXVJRMAEPJULI-QZTJIDSGSA-N 1 0 343.427 2.264 10 5 EEBERO Cc1nc(C)c(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001482994180 1187973113 /nfs/dbraw/zinc/97/31/13/1187973113.db2.gz XEUOLBKFOINECZ-AATRIKPKSA-N 1 0 344.371 2.275 10 5 EEBERO CCC1([NH2+]Cc2ccsc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484812284 1191533178 /nfs/dbraw/zinc/53/31/78/1191533178.db2.gz RQWNOFHJWJFHNO-ZIAGYGMSSA-N 1 0 337.445 2.274 10 5 EEBERO C[NH2+]C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000843341100 1196706860 /nfs/dbraw/zinc/70/68/60/1196706860.db2.gz ZLCZGYLKMNATFK-UHFFFAOYSA-N 1 0 329.759 2.140 10 5 EEBERO CC(C)(F)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001691688450 1197504186 /nfs/dbraw/zinc/50/41/86/1197504186.db2.gz WIZNMOCXHZTEFM-JGZJWPJOSA-N 1 0 329.397 2.389 10 5 EEBERO C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030967 1198030772 /nfs/dbraw/zinc/03/07/72/1198030772.db2.gz FGJKPCPVOUZFIB-GFCCVEGCSA-N 1 0 325.384 2.495 10 5 EEBERO [NH3+]C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000872152132 1198058713 /nfs/dbraw/zinc/05/87/13/1198058713.db2.gz ZHXVAPJEPYEDRS-ZWNOBZJWSA-N 1 0 333.310 2.043 10 5 EEBERO CCC(CC)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000872226232 1198097887 /nfs/dbraw/zinc/09/78/87/1198097887.db2.gz FDWMCJRBXJRAHL-NSHDSACASA-N 1 0 338.330 2.111 10 5 EEBERO CC(C)[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000812293619 1200643965 /nfs/dbraw/zinc/64/39/65/1200643965.db2.gz VAERSZRPAWVEPI-OAHLLOKOSA-N 1 0 331.376 2.310 10 5 EEBERO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000867744432 1201671597 /nfs/dbraw/zinc/67/15/97/1201671597.db2.gz WTEBNLRADPGXTA-UHFFFAOYSA-N 1 0 341.433 2.136 10 5 EEBERO Cc1ccc(CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000869055789 1201930143 /nfs/dbraw/zinc/93/01/43/1201930143.db2.gz WYINURVYBHPYHO-KRWDZBQOSA-N 1 0 332.404 2.140 10 5 EEBERO Cc1ccn(C)c1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001275974950 1205613015 /nfs/dbraw/zinc/61/30/15/1205613015.db2.gz ZKFKGSKDGJBQCN-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000926118180 1206194212 /nfs/dbraw/zinc/19/42/12/1206194212.db2.gz WVWGJBUBPRSPJS-RDDDGLTNSA-N 1 0 343.181 2.087 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000928008592 1206326167 /nfs/dbraw/zinc/32/61/67/1206326167.db2.gz GHCGIALUDMXZRH-UHFFFAOYSA-N 1 0 349.435 2.338 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CCCOCC3)CC2)cc1F ZINC000931288190 1206622263 /nfs/dbraw/zinc/62/22/63/1206622263.db2.gz XLBBVFQLGMXLBQ-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO CNC(=O)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000796610752 1221656502 /nfs/dbraw/zinc/65/65/02/1221656502.db2.gz HAINEKMOLXRZNJ-SJORKVTESA-N 1 0 343.383 2.095 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903533347 1240826648 /nfs/dbraw/zinc/82/66/48/1240826648.db2.gz FALKIPPDXLUVIB-RYUDHWBXSA-N 1 0 333.310 2.315 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[S@@](=O)CC(F)(F)F 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347.415 2.291 10 5 EEBERO O=C(NCC1([NH2+]CCc2ccccc2F)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001319351298 1332689387 /nfs/dbraw/zinc/68/93/87/1332689387.db2.gz GVTIXMWBCINQRP-GDBMZVCRSA-N 1 0 349.406 2.052 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1cnco1 ZINC001319368847 1332691505 /nfs/dbraw/zinc/69/15/05/1332691505.db2.gz JXHJMJVCFDUOBC-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cscn1 ZINC001320057699 1332817159 /nfs/dbraw/zinc/81/71/59/1332817159.db2.gz HSSGZXZYGALQBV-UHFFFAOYSA-N 1 0 348.428 2.184 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@@H]3[C@H](C1)C3(F)F)OCCO2 ZINC001327832778 1334353000 /nfs/dbraw/zinc/35/30/00/1334353000.db2.gz UEWIDBIXNWTSNO-JGPRNRPPSA-N 1 0 326.299 2.499 10 5 EEBERO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001330699085 1334888609 /nfs/dbraw/zinc/88/86/09/1334888609.db2.gz YZLKVHJRIHOSDQ-VXGBXAGGSA-N 1 0 333.367 2.397 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000848025601 1338455947 /nfs/dbraw/zinc/45/59/47/1338455947.db2.gz XOEBBVUGZKQAMN-OBEJXRGXSA-N 1 0 349.431 2.207 10 5 EEBERO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001542174361 1342327831 /nfs/dbraw/zinc/32/78/31/1342327831.db2.gz HOMZEKXJYBRUKW-CQSZACIVSA-N 1 0 335.404 2.340 10 5 EEBERO Cn1nccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001560238088 1342509234 /nfs/dbraw/zinc/50/92/34/1342509234.db2.gz XELAXZDCUCIZAZ-RDJZCZTQSA-N 1 0 330.388 2.069 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC001625268246 1352444353 /nfs/dbraw/zinc/44/43/53/1352444353.db2.gz YURUUZOXKIVDFG-HNNXBMFYSA-N 1 0 342.399 2.201 10 5 EEBERO C[N@@H+]1CC[C@H](CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001626363505 1352460780 /nfs/dbraw/zinc/46/07/80/1352460780.db2.gz KQANXYWNCRVYHB-CYBMUJFWSA-N 1 0 340.383 2.338 10 5 EEBERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626583373 1352467465 /nfs/dbraw/zinc/46/74/65/1352467465.db2.gz WQBCYYSTLGPLCP-UPJWGTAASA-N 1 0 334.420 2.273 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001631423727 1352583251 /nfs/dbraw/zinc/58/32/51/1352583251.db2.gz DFGDMJXRIMVYJV-OCCSQVGLSA-N 1 0 335.404 2.340 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](C3CC3)[NH+](C)C)c2c1 ZINC001655098213 1354165163 /nfs/dbraw/zinc/16/51/63/1354165163.db2.gz AARATRQZLRHTCX-OAHLLOKOSA-N 1 0 330.388 2.326 10 5 EEBERO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCN1c1cnccn1 ZINC001655145462 1354166402 /nfs/dbraw/zinc/16/64/02/1354166402.db2.gz XOEURRFOGYSEDL-CQSZACIVSA-N 1 0 327.388 2.138 10 5 EEBERO CC[C@H](C)[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001659046953 1354372395 /nfs/dbraw/zinc/37/23/95/1354372395.db2.gz PRBASOMXBSSINB-QWHCGFSZSA-N 1 0 343.449 2.240 10 5 EEBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1C ZINC001663813682 1355037690 /nfs/dbraw/zinc/03/76/90/1355037690.db2.gz LMTPMRJANHPNPY-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)C(F)F ZINC001665897945 1355406903 /nfs/dbraw/zinc/40/69/03/1355406903.db2.gz NTTXVBBPIQEYML-UHFFFAOYSA-N 1 0 327.331 2.379 10 5 EEBERO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1C ZINC001666760128 1355587026 /nfs/dbraw/zinc/58/70/26/1355587026.db2.gz WTICZCCNSYZNNR-IAGOWNOFSA-N 1 0 345.443 2.487 10 5 EEBERO CC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCOCC2)CC1 ZINC001671935088 1356440994 /nfs/dbraw/zinc/44/09/94/1356440994.db2.gz VHSQPMUGZKCVQX-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001127531463 770555378 /nfs/dbraw/zinc/55/53/78/770555378.db2.gz BBUTZVMYZXOIJF-GVDBMIGSSA-N 1 0 331.416 2.165 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000846698532 790433085 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331.416 2.499 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536451 789737970 /nfs/dbraw/zinc/73/79/70/789737970.db2.gz LQRPOONYNQUDDL-GUYCJALGSA-N 1 0 332.404 2.140 10 5 EEBERO Nc1nnc([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001174965850 797951632 /nfs/dbraw/zinc/95/16/32/797951632.db2.gz UVHZSVNREUBECL-GFCCVEGCSA-N 1 0 347.375 2.209 10 5 EEBERO CCc1nnc(C2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000792400799 809736625 /nfs/dbraw/zinc/73/66/25/809736625.db2.gz UKYFQYAACVZMMS-OAHLLOKOSA-N 1 0 345.403 2.188 10 5 EEBERO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC001444662743 1099501610 /nfs/dbraw/zinc/50/16/10/1099501610.db2.gz KBQZSJGMPSHAHQ-LBPRGKRZSA-N 1 0 349.387 2.442 10 5 EEBERO O=C(CCc1cccc([N+](=O)[O-])c1)OC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001517121181 1119024129 /nfs/dbraw/zinc/02/41/29/1119024129.db2.gz DSKQHBCPWBIZCL-QGZVFWFLSA-N 1 0 348.399 2.324 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC(C)(C)c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC001528157891 1120957404 /nfs/dbraw/zinc/95/74/04/1120957404.db2.gz ULMKNVKRNAIYFZ-GUTXKFCHSA-N 1 0 346.431 2.469 10 5 EEBERO COc1ccc(CC(=O)NCc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001528274741 1120979537 /nfs/dbraw/zinc/97/95/37/1120979537.db2.gz YKJDHDWLNGXWIY-UHFFFAOYSA-N 1 0 340.339 2.110 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)Cc2ccco2)n1 ZINC001534425986 1123325211 /nfs/dbraw/zinc/32/52/11/1123325211.db2.gz HDLCUMCJIDSWFZ-UHFFFAOYSA-N 1 0 332.360 2.095 10 5 EEBERO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1C[NH+](C2CCCCC2)C1 ZINC001540751992 1124092433 /nfs/dbraw/zinc/09/24/33/1124092433.db2.gz QKQJRXVJNLWIGT-UHFFFAOYSA-N 1 0 346.431 2.387 10 5 EEBERO CN(CC[N@H+](C)CC/C=C/c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480750 1124539945 /nfs/dbraw/zinc/53/99/45/1124539945.db2.gz RSHKDEOOZSQBCL-DTIZEGCPSA-N 1 0 331.416 2.145 10 5 EEBERO CCNC(=O)C1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000459611370 245186060 /nfs/dbraw/zinc/18/60/60/245186060.db2.gz SNASPEYGFLEIGU-UHFFFAOYSA-N 1 0 329.356 2.423 10 5 EEBERO CCNC(=O)N1CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000468981046 245367706 /nfs/dbraw/zinc/36/77/06/245367706.db2.gz MHPVRNWJVUOELK-CTXBLAANSA-N 1 0 332.404 2.392 10 5 EEBERO CNC(=O)CCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000494930089 247037706 /nfs/dbraw/zinc/03/77/06/247037706.db2.gz KVBAODLVSXQDHA-UHFFFAOYSA-N 1 0 335.404 2.020 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262711775 152309770 /nfs/dbraw/zinc/30/97/70/152309770.db2.gz CSTGFRYTRRYSQW-ZWNOBZJWSA-N 1 0 346.412 2.446 10 5 EEBERO CCCc1n[nH]c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000346213049 152854433 /nfs/dbraw/zinc/85/44/33/152854433.db2.gz YCXQCTUFGKMHSN-VXGBXAGGSA-N 1 0 337.424 2.263 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)CN(C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000080448890 159141529 /nfs/dbraw/zinc/14/15/29/159141529.db2.gz HTXILJOHNWJTIL-CABCVRRESA-N 1 0 348.447 2.220 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000109753725 159351995 /nfs/dbraw/zinc/35/19/95/159351995.db2.gz CHLOBDPJIYXTEB-SFHVURJKSA-N 1 0 332.448 2.197 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000194520768 160195643 /nfs/dbraw/zinc/19/56/43/160195643.db2.gz IHNNPCXMLPIYIE-KRWDZBQOSA-N 1 0 343.339 2.427 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246440550 160278802 /nfs/dbraw/zinc/27/88/02/160278802.db2.gz NIDPFCSSFCSQJX-YPMHNXCESA-N 1 0 334.376 2.304 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000246839704 160296618 /nfs/dbraw/zinc/29/66/18/160296618.db2.gz BLYMHMIAQBXGSS-GJZGRUSLSA-N 1 0 347.415 2.449 10 5 EEBERO CO[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1C ZINC000342740210 161086930 /nfs/dbraw/zinc/08/69/30/161086930.db2.gz RATONQXXTRGACD-MLGOLLRUSA-N 1 0 349.387 2.250 10 5 EEBERO Cn1c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000354880961 163001658 /nfs/dbraw/zinc/00/16/58/163001658.db2.gz JBMGZJWFSXMIOE-UHFFFAOYSA-N 1 0 334.420 2.341 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000359035081 164042543 /nfs/dbraw/zinc/04/25/43/164042543.db2.gz ASDACNXYXGAXPB-LBPRGKRZSA-N 1 0 343.330 2.266 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000343636769 277162201 /nfs/dbraw/zinc/16/22/01/277162201.db2.gz UVALLLUVERHRTG-GXTWGEPZSA-N 1 0 333.388 2.444 10 5 EEBERO CC1(C)OCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295237707 293657420 /nfs/dbraw/zinc/65/74/20/293657420.db2.gz OZMNQBVELPERLO-GFCCVEGCSA-N 1 0 327.768 2.344 10 5 EEBERO CC[C@@H](O)C[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000301980979 294917061 /nfs/dbraw/zinc/91/70/61/294917061.db2.gz AVKNGIVFGBNQAV-CQSZACIVSA-N 1 0 344.415 2.344 10 5 EEBERO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415767688 313181965 /nfs/dbraw/zinc/18/19/65/313181965.db2.gz UKZLSXUYHSNJOD-LBPRGKRZSA-N 1 0 328.319 2.276 10 5 EEBERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000441256526 315176982 /nfs/dbraw/zinc/17/69/82/315176982.db2.gz ASCSEXNIJHDFKI-XHSDSOJGSA-N 1 0 333.388 2.247 10 5 EEBERO COCC(C)(C)[NH+]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000566006766 319234653 /nfs/dbraw/zinc/23/46/53/319234653.db2.gz PUQFRKFGFCEBDH-UHFFFAOYSA-N 1 0 348.447 2.416 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000570929651 319711153 /nfs/dbraw/zinc/71/11/53/319711153.db2.gz MGCUVPJCNUDFTP-KRWDZBQOSA-N 1 0 341.367 2.058 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000576924203 320215845 /nfs/dbraw/zinc/21/58/45/320215845.db2.gz JGYLKPQRDMIQMU-UHFFFAOYSA-N 1 0 337.424 2.004 10 5 EEBERO [NH3+]CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C(F)F ZINC000383380464 323527624 /nfs/dbraw/zinc/52/76/24/323527624.db2.gz LYTZBTPRPCQPGH-SSDOTTSWSA-N 1 0 325.113 2.147 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CCC[N@H+]1CCCO)CCCC2 ZINC000580186490 324011180 /nfs/dbraw/zinc/01/11/80/324011180.db2.gz WOKHHEXSNKGNTB-AWEZNQCLSA-N 1 0 334.420 2.127 10 5 EEBERO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000337246640 465265889 /nfs/dbraw/zinc/26/58/89/465265889.db2.gz JNXSHTUKAJMREC-AWEZNQCLSA-N 1 0 332.404 2.092 10 5 EEBERO CCn1cc([N+](=O)[O-])c(=O)c2cc(F)c(N3C[C@@H](C)[NH2+][C@@H](C)C3)cc21 ZINC000005393654 462658421 /nfs/dbraw/zinc/65/84/21/462658421.db2.gz DMJRIWIYFASLJV-PHIMTYICSA-N 1 0 348.378 2.255 10 5 EEBERO Nc1nc(NCc2ccc(C[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000076521138 462872607 /nfs/dbraw/zinc/87/26/07/462872607.db2.gz GOJBQTPSOLVMSP-UHFFFAOYSA-N 1 0 328.376 2.175 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]([NH+]4CCCCCC4)C3)nn21 ZINC000091482486 462884309 /nfs/dbraw/zinc/88/43/09/462884309.db2.gz KUXFWNPOZZWMTL-CQSZACIVSA-N 1 0 344.419 2.482 10 5 EEBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000110560533 463659119 /nfs/dbraw/zinc/65/91/19/463659119.db2.gz XCKFZYVINOASLR-GFCCVEGCSA-N 1 0 338.364 2.050 10 5 EEBERO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000177525354 463727912 /nfs/dbraw/zinc/72/79/12/463727912.db2.gz IXJRERGGZMUEGV-RYUDHWBXSA-N 1 0 347.371 2.384 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000177770417 463786182 /nfs/dbraw/zinc/78/61/82/463786182.db2.gz CPWFJOIIKOFMDW-LSDHHAIUSA-N 1 0 346.431 2.400 10 5 EEBERO COc1ccc(OCC[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000276907339 463801847 /nfs/dbraw/zinc/80/18/47/463801847.db2.gz ITAPEXRSNDVARH-UHFFFAOYSA-N 1 0 345.355 2.141 10 5 EEBERO CCCc1[nH]nc(-c2nc(-c3ccc(C[NH3+])cc3)no2)c1[N+](=O)[O-] ZINC000261973843 463914352 /nfs/dbraw/zinc/91/43/52/463914352.db2.gz IKYUYSHFPKYORQ-UHFFFAOYSA-N 1 0 328.332 2.446 10 5 EEBERO Cc1nn(CCc2nc(-c3ccc(C[NH3+])cc3)no2)c(C)c1[N+](=O)[O-] ZINC000262006836 463924272 /nfs/dbraw/zinc/92/42/72/463924272.db2.gz LXCMWRIQWIINBJ-UHFFFAOYSA-N 1 0 342.359 2.160 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000284842568 464361774 /nfs/dbraw/zinc/36/17/74/464361774.db2.gz QZTRNFSQQFJCFC-AWEZNQCLSA-N 1 0 335.404 2.484 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000264549660 464368495 /nfs/dbraw/zinc/36/84/95/464368495.db2.gz RPDDWSBPTVZURX-OAHLLOKOSA-N 1 0 336.411 2.340 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@@H]21 ZINC000285079486 464447608 /nfs/dbraw/zinc/44/76/08/464447608.db2.gz PPTBQBZBLZVTOM-STQMWFEESA-N 1 0 343.330 2.106 10 5 EEBERO Cc1cc(OCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000281654641 464536701 /nfs/dbraw/zinc/53/67/01/464536701.db2.gz NCIATWIIBNMKNH-UONOGXRCSA-N 1 0 335.404 2.223 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266746618 464807062 /nfs/dbraw/zinc/80/70/62/464807062.db2.gz GCQLBDLZONTYTQ-DZGCQCFKSA-N 1 0 334.420 2.261 10 5 EEBERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282432810 464817440 /nfs/dbraw/zinc/81/74/40/464817440.db2.gz RLRWAOQMMMENHL-GZMMTYOYSA-N 1 0 342.193 2.114 10 5 EEBERO Cc1nc(CN2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000183219512 464824796 /nfs/dbraw/zinc/82/47/96/464824796.db2.gz WSFCOXOJPWQKKK-UHFFFAOYSA-N 1 0 345.403 2.303 10 5 EEBERO O=[N+]([O-])c1cnc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000249219097 464852472 /nfs/dbraw/zinc/85/24/72/464852472.db2.gz FTIBDLUIVBILNA-QWHCGFSZSA-N 1 0 334.401 2.099 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000177011611 464906591 /nfs/dbraw/zinc/90/65/91/464906591.db2.gz LQZKIYOBDUTALN-AWEZNQCLSA-N 1 0 334.420 2.340 10 5 EEBERO CCC(CC)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCCC1 ZINC000347944498 465325999 /nfs/dbraw/zinc/32/59/99/465325999.db2.gz ZWCFRXCQUFSLID-AWEZNQCLSA-N 1 0 346.435 2.950 10 5 EEBERO CCO[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593916723 468432892 /nfs/dbraw/zinc/43/28/92/468432892.db2.gz OHJVUXLMPVLEMW-CZUORRHYSA-N 1 0 349.431 2.328 10 5 EEBERO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C[NH+]1CCCCC1 ZINC000301096801 465899727 /nfs/dbraw/zinc/89/97/27/465899727.db2.gz PDRDRAILAXQQQJ-GFCCVEGCSA-N 1 0 348.403 2.460 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3nc[nH]c3C2)n1 ZINC000353626492 466022061 /nfs/dbraw/zinc/02/20/61/466022061.db2.gz ILFVYZUKIPZEPI-OSAQELSMSA-N 1 0 330.392 2.145 10 5 EEBERO CNC(=O)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349961325 466327746 /nfs/dbraw/zinc/32/77/46/466327746.db2.gz GISGRKHJYXHVDI-UHFFFAOYSA-N 1 0 335.404 2.020 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000350094604 466383841 /nfs/dbraw/zinc/38/38/41/466383841.db2.gz IVBLLMWOIIFNIX-UHFFFAOYSA-N 1 0 326.418 2.208 10 5 EEBERO Nc1nccc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366004155 467023601 /nfs/dbraw/zinc/02/36/01/467023601.db2.gz NJAMNAWDUZUDBV-CQSZACIVSA-N 1 0 327.388 2.389 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000589501686 468157961 /nfs/dbraw/zinc/15/79/61/468157961.db2.gz WFJMEBMBMRHNAU-DZGCQCFKSA-N 1 0 334.372 2.382 10 5 EEBERO CC(C)(CO)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000589863529 468190591 /nfs/dbraw/zinc/19/05/91/468190591.db2.gz CZBVQBMYELFSAO-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474523 468568775 /nfs/dbraw/zinc/56/87/75/468568775.db2.gz XVGFRLJGVGRHHQ-AWEZNQCLSA-N 1 0 333.388 2.350 10 5 EEBERO [NH3+]C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000594524425 468615782 /nfs/dbraw/zinc/61/57/82/468615782.db2.gz JPQCRFBUIAEKLK-LBPRGKRZSA-N 1 0 348.325 2.106 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](C2CCCC2)CC1 ZINC000601103057 468741908 /nfs/dbraw/zinc/74/19/08/468741908.db2.gz MEJOENQJEFAWBR-UHFFFAOYSA-N 1 0 347.341 2.412 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1CCO ZINC000595042563 468748425 /nfs/dbraw/zinc/74/84/25/468748425.db2.gz SVGYLBYOJYELGW-UKRRQHHQSA-N 1 0 337.420 2.101 10 5 EEBERO CCC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595080702 468754120 /nfs/dbraw/zinc/75/41/20/468754120.db2.gz YQEOHPLOROYIFP-SJORKVTESA-N 1 0 338.404 2.194 10 5 EEBERO CS[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000601145610 468760088 /nfs/dbraw/zinc/76/00/88/468760088.db2.gz PGEDHVJAWVQKHD-OLZOCXBDSA-N 1 0 326.397 2.145 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598163014 468782257 /nfs/dbraw/zinc/78/22/57/468782257.db2.gz MCCOFMKKTCRQTE-UHFFFAOYSA-N 1 0 331.294 2.247 10 5 EEBERO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000601216027 468784432 /nfs/dbraw/zinc/78/44/32/468784432.db2.gz GPFXCPHSNOWXIS-UHFFFAOYSA-N 1 0 332.404 2.148 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000571570259 468807112 /nfs/dbraw/zinc/80/71/12/468807112.db2.gz SCVJQNDVPIFJLL-UHFFFAOYSA-N 1 0 342.399 2.425 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000593032106 468845672 /nfs/dbraw/zinc/84/56/72/468845672.db2.gz TWRQIFRRDJIWHE-OAHLLOKOSA-N 1 0 334.372 2.261 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000595468726 468865185 /nfs/dbraw/zinc/86/51/85/468865185.db2.gz KXZHLAIFCJWSKF-OAHLLOKOSA-N 1 0 334.420 2.309 10 5 EEBERO CC(C)[C@H]1CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC[NH2+]1 ZINC000601675619 468962806 /nfs/dbraw/zinc/96/28/06/468962806.db2.gz OSLFFHCLYQZBPP-MRXNPFEDSA-N 1 0 331.416 2.473 10 5 EEBERO CC(C)[N@H+](C)CC1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587375024 469087742 /nfs/dbraw/zinc/08/77/42/469087742.db2.gz OSRKNFQUYJITEN-UHFFFAOYSA-N 1 0 336.436 2.226 10 5 EEBERO CC[NH+]1CCN(CCNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599019615 469089215 /nfs/dbraw/zinc/08/92/15/469089215.db2.gz HXGMUTOJPVKAOQ-UHFFFAOYSA-N 1 0 329.404 2.192 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000587802951 469094705 /nfs/dbraw/zinc/09/47/05/469094705.db2.gz KAKKBOHBNBJKMO-UHFFFAOYSA-N 1 0 340.299 2.101 10 5 EEBERO O=C(CCCn1ccnc1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589063364 469189825 /nfs/dbraw/zinc/18/98/25/469189825.db2.gz LYLBQZIDRKAIDR-UHFFFAOYSA-N 1 0 341.371 2.412 10 5 EEBERO C[C@H]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C[NH2+]1 ZINC000599595034 469302811 /nfs/dbraw/zinc/30/28/11/469302811.db2.gz FNPGMSXNPTZRJJ-IUCAKERBSA-N 1 0 344.318 2.458 10 5 EEBERO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000619809263 469684494 /nfs/dbraw/zinc/68/44/94/469684494.db2.gz IVUFYCWHSLHKAR-ZDUSSCGKSA-N 1 0 344.419 2.404 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000610292746 470000915 /nfs/dbraw/zinc/00/09/15/470000915.db2.gz AZUKZBCAMNNWBA-JTQLQIEISA-N 1 0 331.294 2.438 10 5 EEBERO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000187969554 533770383 /nfs/dbraw/zinc/77/03/83/533770383.db2.gz WMNQSRLQXSKRMY-GUYCJALGSA-N 1 0 335.404 2.041 10 5 EEBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451262641 535957401 /nfs/dbraw/zinc/95/74/01/535957401.db2.gz XUSLTKWLXGPOGV-TZMCWYRMSA-N 1 0 332.360 2.238 10 5 EEBERO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451227295 536462850 /nfs/dbraw/zinc/46/28/50/536462850.db2.gz DISBCJZNIULLDL-OLZOCXBDSA-N 1 0 349.387 2.245 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000451586271 536464290 /nfs/dbraw/zinc/46/42/90/536464290.db2.gz GKEDQWAKSRHLII-OLZOCXBDSA-N 1 0 349.387 2.163 10 5 EEBERO CC[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000894787165 683095006 /nfs/dbraw/zinc/09/50/06/683095006.db2.gz FBFRCBNFBFLFOG-NWDGAFQWSA-N 1 0 330.388 2.023 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000928441714 683164366 /nfs/dbraw/zinc/16/43/66/683164366.db2.gz TUELDBIFFDYBLX-KWQFWETISA-N 1 0 329.303 2.019 10 5 EEBERO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@]4(O)C3)o2)c([N+](=O)[O-])c1 ZINC000895646207 684673703 /nfs/dbraw/zinc/67/37/03/684673703.db2.gz FFWPJUKFKIKLTA-GTNSWQLSSA-N 1 0 330.340 2.430 10 5 EEBERO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521409 685012170 /nfs/dbraw/zinc/01/21/70/685012170.db2.gz DGEAYRJJSIOBQV-HNNXBMFYSA-N 1 0 333.388 2.463 10 5 EEBERO Cc1c(CC(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC000898835968 693476696 /nfs/dbraw/zinc/47/66/96/693476696.db2.gz QRBSBEXQFLWYGT-HZPDHXFCSA-N 1 0 331.416 2.435 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)ns1 ZINC001267367498 1178859339 /nfs/dbraw/zinc/85/93/39/1178859339.db2.gz XZFJYKIBHUUXMV-UHFFFAOYSA-N 1 0 340.430 2.283 10 5 EEBERO Cc1ccncc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001481217304 1180311890 /nfs/dbraw/zinc/31/18/90/1180311890.db2.gz JOLZWXAYUNSKKC-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccns1 ZINC001268451144 1182641928 /nfs/dbraw/zinc/64/19/28/1182641928.db2.gz DJKNRFQRTCPHBE-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnc(F)c1 ZINC001268526361 1183180490 /nfs/dbraw/zinc/18/04/90/1183180490.db2.gz VUSIMXWCBHKPKU-UPHRSURJSA-N 1 0 344.346 2.205 10 5 EEBERO O=C(Cc1ccco1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001269509347 1184337184 /nfs/dbraw/zinc/33/71/84/1184337184.db2.gz ZQPHQIPRNMYDOK-UHFFFAOYSA-N 1 0 329.356 2.169 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CCOCC1 ZINC001484738127 1191500991 /nfs/dbraw/zinc/50/09/91/1191500991.db2.gz ADUPHXKAEKMFQX-UHFFFAOYSA-N 1 0 347.415 2.222 10 5 EEBERO CCNc1ccc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC001134332908 1199489215 /nfs/dbraw/zinc/48/92/15/1199489215.db2.gz WMVYOIIFBCQSCA-DYVFJYSZSA-N 1 0 332.404 2.050 10 5 EEBERO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000870732675 1200839794 /nfs/dbraw/zinc/83/97/94/1200839794.db2.gz ISWIMBRMUAEHOY-AWEZNQCLSA-N 1 0 336.392 2.132 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930543830 1206566197 /nfs/dbraw/zinc/56/61/97/1206566197.db2.gz HLJLPMLMQOIFNZ-HZMBPMFUSA-N 1 0 340.221 2.493 10 5 EEBERO COc1c(C)[nH]cc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1=O ZINC000931322639 1206624683 /nfs/dbraw/zinc/62/46/83/1206624683.db2.gz CDNZLWLNBUNSHH-UHFFFAOYSA-N 1 0 347.371 2.111 10 5 EEBERO O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510516 1240737982 /nfs/dbraw/zinc/73/79/82/1240737982.db2.gz RKDUGNSSVXACKH-GASCZTMLSA-N 1 0 348.422 2.135 10 5 EEBERO CC[C@](C)(CC(=O)OC)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001191899981 1281695126 /nfs/dbraw/zinc/69/51/26/1281695126.db2.gz PEUJFFIVPNMPQG-MRXNPFEDSA-N 1 0 340.376 2.304 10 5 EEBERO CCCOCC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001490400058 1291289095 /nfs/dbraw/zinc/28/90/95/1291289095.db2.gz VYXACSHSGNAWNE-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000851856756 1291891943 /nfs/dbraw/zinc/89/19/43/1291891943.db2.gz BBCGFIUGHASSKF-UHFFFAOYSA-N 1 0 347.412 2.133 10 5 EEBERO COCC[N@H+](CCF)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000852482674 1292123469 /nfs/dbraw/zinc/12/34/69/1292123469.db2.gz JZGRECDMVAOCSG-UHFFFAOYSA-N 1 0 327.356 2.150 10 5 EEBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000852561795 1292134926 /nfs/dbraw/zinc/13/49/26/1292134926.db2.gz UZYPQJQYJQGPGN-JCGIZDLHSA-N 1 0 344.415 2.363 10 5 EEBERO CCN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000855360310 1293189324 /nfs/dbraw/zinc/18/93/24/1293189324.db2.gz KFOFJXCCCPZGMS-ZDUSSCGKSA-N 1 0 327.331 2.239 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000861351330 1295359277 /nfs/dbraw/zinc/35/92/77/1295359277.db2.gz IDQTVPFWZDYESC-WMLDXEAASA-N 1 0 336.388 2.098 10 5 EEBERO O=C(OCC12CCC[NH+](CCC1)C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000861356963 1295369313 /nfs/dbraw/zinc/36/93/13/1295369313.db2.gz AYKRKEOEZOMTLY-UHFFFAOYSA-N 1 0 348.355 2.356 10 5 EEBERO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000927036551 1296995371 /nfs/dbraw/zinc/99/53/71/1296995371.db2.gz CRHNJLFAAQAGEA-YEJSDXFRSA-N 1 0 342.392 2.493 10 5 EEBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOC2CCOCC2)n1 ZINC000927080517 1297010079 /nfs/dbraw/zinc/01/00/79/1297010079.db2.gz TXQVSDIFMGRZHZ-GJZGRUSLSA-N 1 0 338.408 2.060 10 5 EEBERO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000839574009 1315216774 /nfs/dbraw/zinc/21/67/74/1315216774.db2.gz IWISRAKTPMZJQE-HAQNSBGRSA-N 1 0 341.795 2.422 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841856159 1315624743 /nfs/dbraw/zinc/62/47/43/1315624743.db2.gz PBAPOFHJIJEEFT-ZDUSSCGKSA-N 1 0 338.795 2.284 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841891819 1315631065 /nfs/dbraw/zinc/63/10/65/1315631065.db2.gz PMCCARPFBKBBLS-VXGBXAGGSA-N 1 0 327.812 2.135 10 5 EEBERO Cc1nc(C)c(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001264973525 1322822423 /nfs/dbraw/zinc/82/24/23/1322822423.db2.gz AJUAURZQVRUWPX-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)cc1Cl ZINC001265845941 1323420009 /nfs/dbraw/zinc/42/00/09/1323420009.db2.gz VKEXDCAJGMDVQC-TZMCWYRMSA-N 1 0 343.786 2.082 10 5 EEBERO Cc1cc(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cs1 ZINC001266135688 1323705741 /nfs/dbraw/zinc/70/57/41/1323705741.db2.gz UFVOTXNXIHUHFN-HUUCEWRRSA-N 1 0 337.445 2.192 10 5 EEBERO O=C(NCC1([NH2+]CC/C=C\c2ccccc2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480310 1324247620 /nfs/dbraw/zinc/24/76/20/1324247620.db2.gz JWMAPYFDPYGGFG-JNZXNGNHSA-N 1 0 343.427 2.384 10 5 EEBERO Cc1cnoc1C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001280874278 1324595397 /nfs/dbraw/zinc/59/53/97/1324595397.db2.gz SFBOHINEKJZUCH-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001297105882 1329943291 /nfs/dbraw/zinc/94/32/91/1329943291.db2.gz MRQGDNRBZDSSKG-GFCCVEGCSA-N 1 0 345.403 2.208 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2ccsc2)CC1 ZINC001318884564 1332617506 /nfs/dbraw/zinc/61/75/06/1332617506.db2.gz BLXXJTHBNZFDCH-HUUCEWRRSA-N 1 0 337.445 2.132 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1 ZINC001327208220 1334246093 /nfs/dbraw/zinc/24/60/93/1334246093.db2.gz GORONVAHXIEAQI-KRWDZBQOSA-N 1 0 336.388 2.222 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001329557103 1334673957 /nfs/dbraw/zinc/67/39/57/1334673957.db2.gz MBQLVXTYIABHHS-CQSZACIVSA-N 1 0 332.404 2.383 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000848025602 1338455783 /nfs/dbraw/zinc/45/57/83/1338455783.db2.gz XOEBBVUGZKQAMN-WCRPCQDQSA-N 1 0 349.431 2.207 10 5 EEBERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001616328103 1352327763 /nfs/dbraw/zinc/32/77/63/1352327763.db2.gz JAGJUNRVIDZZOL-AEKWLRTRSA-N 1 0 331.416 2.162 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC001559287804 1342500327 /nfs/dbraw/zinc/50/03/27/1342500327.db2.gz DZILXUZSFFGOHT-CYBMUJFWSA-N 1 0 336.348 2.168 10 5 EEBERO CCc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001570674399 1343099839 /nfs/dbraw/zinc/09/98/39/1343099839.db2.gz YBPRKVPLZCQGOO-IAGOWNOFSA-N 1 0 347.459 2.488 10 5 EEBERO C[C@@H](CC[NH+](C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001597746760 1349930908 /nfs/dbraw/zinc/93/09/08/1349930908.db2.gz IFYLFGADENBKJF-NSHDSACASA-N 1 0 327.812 2.495 10 5 EEBERO O=C(N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001624156936 1352415389 /nfs/dbraw/zinc/41/53/89/1352415389.db2.gz STYKDGQMLKDXSR-GVDBMIGSSA-N 1 0 331.416 2.213 10 5 EEBERO CC1([NH+]2CCC2)CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001636650966 1352667787 /nfs/dbraw/zinc/66/77/87/1352667787.db2.gz RMOIZZZGJSRJMD-UHFFFAOYSA-N 1 0 332.404 2.314 10 5 EEBERO C[C@H]([NH2+][C@H](CCO)C1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001654909646 1354161314 /nfs/dbraw/zinc/16/13/14/1354161314.db2.gz RPLNDLVGKWTHOK-BLLLJJGKSA-N 1 0 335.404 2.453 10 5 EEBERO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nc(C4CCC4)no3)CC2)c1 ZINC001659824566 1354387226 /nfs/dbraw/zinc/38/72/26/1354387226.db2.gz HMPABRNMKGYZJI-UHFFFAOYSA-N 1 0 346.391 2.321 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(F)F)cc1 ZINC001660139401 1354403497 /nfs/dbraw/zinc/40/34/97/1354403497.db2.gz QSERDKUPHRZBMG-ZIAGYGMSSA-N 1 0 341.358 2.228 10 5 EEBERO CCc1cc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])no1 ZINC001660368996 1354449907 /nfs/dbraw/zinc/44/99/07/1354449907.db2.gz PEMUISIPINJIGU-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911478929 787498079 /nfs/dbraw/zinc/49/80/79/787498079.db2.gz VWINBBZAQIGSCO-CYBMUJFWSA-N 1 0 327.331 2.364 10 5 EEBERO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000912650822 788281972 /nfs/dbraw/zinc/28/19/72/788281972.db2.gz PSZGGJHYUKDSOW-YPMHNXCESA-N 1 0 336.392 2.030 10 5 EEBERO Nc1c(Cl)cc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000912884704 788463094 /nfs/dbraw/zinc/46/30/94/788463094.db2.gz QOCULLRSEODOSA-UHFFFAOYSA-N 1 0 338.795 2.141 10 5 EEBERO CNc1nccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001148455212 792436918 /nfs/dbraw/zinc/43/69/18/792436918.db2.gz OJGXJULOKXOLOD-CYBMUJFWSA-N 1 0 347.419 2.026 10 5 EEBERO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC001148546887 792521465 /nfs/dbraw/zinc/52/14/65/792521465.db2.gz BOTXNEKSIMCSNI-YUMQZZPRSA-N 1 0 344.774 2.182 10 5 EEBERO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913815954 794320582 /nfs/dbraw/zinc/32/05/82/794320582.db2.gz VZEMXENZGPNFNE-VXGBXAGGSA-N 1 0 338.795 2.139 10 5 EEBERO NC(=O)c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c([N+](=O)[O-])c1 ZINC001175632035 798172326 /nfs/dbraw/zinc/17/23/26/798172326.db2.gz XANYQZOBMYIPFZ-HNNXBMFYSA-N 1 0 333.388 2.275 10 5 EEBERO O=C1C[C@@H](CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1 ZINC000922781667 801870714 /nfs/dbraw/zinc/87/07/14/801870714.db2.gz MJQJHBPLGPKQCN-GFCCVEGCSA-N 1 0 329.356 2.471 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922850421 802076748 /nfs/dbraw/zinc/07/67/48/802076748.db2.gz OPHJACMBTKJOGX-AGUYFDCRSA-N 1 0 338.429 2.409 10 5 EEBERO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000790286030 808560362 /nfs/dbraw/zinc/56/03/62/808560362.db2.gz WUVXFELEJBBPJY-HNNXBMFYSA-N 1 0 348.403 2.458 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC001545905268 1089200835 /nfs/dbraw/zinc/20/08/35/1089200835.db2.gz VVCGHZFDATWWTN-GUYCJALGSA-N 1 0 344.415 2.387 10 5 EEBERO CC(=O)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001480125879 1099689359 /nfs/dbraw/zinc/68/93/59/1099689359.db2.gz AQEMNACZZZBJLU-SHTZXODSSA-N 1 0 333.388 2.091 10 5 EEBERO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2nn(C)cc2[N+](=O)[O-])CC1 ZINC001458270409 1109851406 /nfs/dbraw/zinc/85/14/06/1109851406.db2.gz SSQZMIDWCZOUNO-LBPRGKRZSA-N 1 0 330.392 2.361 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001458545377 1109890407 /nfs/dbraw/zinc/89/04/07/1109890407.db2.gz KOPZOCYKFQQXCJ-CYBMUJFWSA-N 1 0 347.419 2.298 10 5 EEBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460184715 1110258135 /nfs/dbraw/zinc/25/81/35/1110258135.db2.gz YDIBRBNWUDHAOU-WCQYABFASA-N 1 0 332.360 2.238 10 5 EEBERO CON(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[N@H+](C)C(C)C ZINC001519461554 1119081263 /nfs/dbraw/zinc/08/12/63/1119081263.db2.gz LYZISSXLEVRHPV-UHFFFAOYSA-N 1 0 348.407 2.191 10 5 EEBERO COc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001544902901 1124172335 /nfs/dbraw/zinc/17/23/35/1124172335.db2.gz JPTCTXUHFDMSQW-UONOGXRCSA-N 1 0 335.404 2.340 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccns1 ZINC001568745860 1124759414 /nfs/dbraw/zinc/75/94/14/1124759414.db2.gz ILLBQGKUFQOQDS-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000191610771 237261406 /nfs/dbraw/zinc/26/14/06/237261406.db2.gz HLRSEVYSHWAZPZ-CYBMUJFWSA-N 1 0 345.403 2.062 10 5 EEBERO COc1ccc(C)cc1C[NH2+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000072314816 216148573 /nfs/dbraw/zinc/14/85/73/216148573.db2.gz ZDAZKZXADZJAAG-WMZOPIPTSA-N 1 0 346.383 2.096 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792915 245250016 /nfs/dbraw/zinc/25/00/16/245250016.db2.gz KGOBPKOCFSRBRN-RYUDHWBXSA-N 1 0 337.401 2.122 10 5 EEBERO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266432525 248298526 /nfs/dbraw/zinc/29/85/26/248298526.db2.gz DNONDYLFSOWICQ-CYBMUJFWSA-N 1 0 349.412 2.224 10 5 EEBERO CCOc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000174914570 255847445 /nfs/dbraw/zinc/84/74/45/255847445.db2.gz RZBPXULRLNVHJA-ZIAGYGMSSA-N 1 0 337.420 2.275 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000117632657 221079296 /nfs/dbraw/zinc/07/92/96/221079296.db2.gz KYQIYXLNZPKIJE-AWEZNQCLSA-N 1 0 337.807 2.487 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117805108 221091077 /nfs/dbraw/zinc/09/10/77/221091077.db2.gz UEXDVOPUVHJHAI-SMDDNHRTSA-N 1 0 337.807 2.486 10 5 EEBERO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000106866692 159323364 /nfs/dbraw/zinc/32/33/64/159323364.db2.gz UFNWKXWDYZSCMJ-HNNXBMFYSA-N 1 0 335.404 2.475 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000342438702 161065567 /nfs/dbraw/zinc/06/55/67/161065567.db2.gz PFSHCQDDIBGLSG-QWRGUYRKSA-N 1 0 341.358 2.357 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344765528 161244385 /nfs/dbraw/zinc/24/43/85/161244385.db2.gz CKXXAELRZNJNGB-LBPRGKRZSA-N 1 0 332.404 2.245 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000374379719 167029686 /nfs/dbraw/zinc/02/96/86/167029686.db2.gz HYGSNSSFYMCSCH-ZDUSSCGKSA-N 1 0 344.371 2.357 10 5 EEBERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277647705 269167360 /nfs/dbraw/zinc/16/73/60/269167360.db2.gz FDEDMWZAEWYIEB-OAHLLOKOSA-N 1 0 329.404 2.395 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H]1C ZINC000349589633 276243068 /nfs/dbraw/zinc/24/30/68/276243068.db2.gz ZFLKDOMPADJMDC-QWHCGFSZSA-N 1 0 344.419 2.309 10 5 EEBERO CN1CC[NH+](C[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000065568659 277107147 /nfs/dbraw/zinc/10/71/47/277107147.db2.gz XYAZFRWVMLIUBY-AWEZNQCLSA-N 1 0 336.411 2.198 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423968096 295477689 /nfs/dbraw/zinc/47/76/89/295477689.db2.gz HQZLSDMYMGUBBN-HUUCEWRRSA-N 1 0 347.415 2.354 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359393761 312402004 /nfs/dbraw/zinc/40/20/04/312402004.db2.gz SODKRTDFSWPFHY-LLVKDONJSA-N 1 0 343.330 2.362 10 5 EEBERO [NH3+]C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000415705851 313169696 /nfs/dbraw/zinc/16/96/96/313169696.db2.gz UIYYQVRRQISNRF-LLVKDONJSA-N 1 0 343.181 2.216 10 5 EEBERO CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000563497798 319016059 /nfs/dbraw/zinc/01/60/59/319016059.db2.gz GCRWXMKVMSXDDC-SNVBAGLBSA-N 1 0 343.181 2.183 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000127842323 462587819 /nfs/dbraw/zinc/58/78/19/462587819.db2.gz GXGSKLJILAMJDC-CABCVRRESA-N 1 0 343.387 2.164 10 5 EEBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](CC2CC2)CC1 ZINC000130203351 462744264 /nfs/dbraw/zinc/74/42/64/462744264.db2.gz WZUYRLZRDFVMSM-UHFFFAOYSA-N 1 0 328.372 2.244 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)c1noc(CN(C)C)n1 ZINC000154997296 462833840 /nfs/dbraw/zinc/83/38/40/462833840.db2.gz SYAUATDKPGULAH-UHFFFAOYSA-N 1 0 347.375 2.013 10 5 EEBERO CC(C)C[NH+]1CCC(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000047938290 462839280 /nfs/dbraw/zinc/83/92/80/462839280.db2.gz CFPNDPMQMMHXOX-UHFFFAOYSA-N 1 0 348.447 2.491 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000026156700 463152623 /nfs/dbraw/zinc/15/26/23/463152623.db2.gz VQFKPAOHPKXJDJ-RYUDHWBXSA-N 1 0 337.376 2.041 10 5 EEBERO Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000160736341 463365843 /nfs/dbraw/zinc/36/58/43/463365843.db2.gz UJORCARMUIMQJY-NSHDSACASA-N 1 0 335.385 2.075 10 5 EEBERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000106912058 463550060 /nfs/dbraw/zinc/55/00/60/463550060.db2.gz QXFIHXCHLATHRJ-KRWDZBQOSA-N 1 0 327.384 2.384 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@@H+](C2CC2)CC1 ZINC000172346570 464060351 /nfs/dbraw/zinc/06/03/51/464060351.db2.gz XUGAHERMGUEUFR-UHFFFAOYSA-N 1 0 346.431 2.402 10 5 EEBERO COc1ccc(NC(=O)CC[N@@H+]2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000591033032 468397188 /nfs/dbraw/zinc/39/71/88/468397188.db2.gz YEOQKWKCRLMOGL-UHFFFAOYSA-N 1 0 349.387 2.187 10 5 EEBERO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000263775394 464186309 /nfs/dbraw/zinc/18/63/09/464186309.db2.gz NREKUFVUHVXZSH-UHFFFAOYSA-N 1 0 335.404 2.134 10 5 EEBERO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280484145 464212014 /nfs/dbraw/zinc/21/20/14/464212014.db2.gz LSQOBJDJNAPBLX-KRWDZBQOSA-N 1 0 336.388 2.244 10 5 EEBERO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccccc1 ZINC000180134367 464248750 /nfs/dbraw/zinc/24/87/50/464248750.db2.gz IEGQFSWEOYRZCI-YOEHRIQHSA-N 1 0 340.383 2.352 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000281510288 464484782 /nfs/dbraw/zinc/48/47/82/464484782.db2.gz INDMCEMDYSAXPI-AWEZNQCLSA-N 1 0 335.404 2.225 10 5 EEBERO COc1cc(C[NH2+][C@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272242445 464533209 /nfs/dbraw/zinc/53/32/09/464533209.db2.gz AUJDHYBSFDQDMV-NXEZZACHSA-N 1 0 348.346 2.354 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554495664 468408542 /nfs/dbraw/zinc/40/85/42/468408542.db2.gz JVCCVTIFXWGOBB-CQSZACIVSA-N 1 0 335.404 2.354 10 5 EEBERO COc1ccc([N+](=O)[O-])c(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000266425612 464774066 /nfs/dbraw/zinc/77/40/66/464774066.db2.gz SSANXTAWYJLUCK-OAHLLOKOSA-N 1 0 348.447 2.210 10 5 EEBERO COC(=O)c1cc(C)nc(NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000286171475 464827647 /nfs/dbraw/zinc/82/76/47/464827647.db2.gz ITCAJHOMLZVLNY-UHFFFAOYSA-N 1 0 336.392 2.229 10 5 EEBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000339600184 465376127 /nfs/dbraw/zinc/37/61/27/465376127.db2.gz WAIOIZCEDYEQCE-XYPHTWIQSA-N 1 0 346.387 2.308 10 5 EEBERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298720598 465483608 /nfs/dbraw/zinc/48/36/08/465483608.db2.gz OMKGDFHZAZRNHS-CHWSQXEVSA-N 1 0 349.435 2.259 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339962149 465637657 /nfs/dbraw/zinc/63/76/57/465637657.db2.gz FAPZTEHBQPNFTJ-CQSZACIVSA-N 1 0 349.431 2.099 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362448994 465747966 /nfs/dbraw/zinc/74/79/66/465747966.db2.gz NSROXMNXFIPFNQ-CZUORRHYSA-N 1 0 333.388 2.343 10 5 EEBERO Cc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300487025 465892259 /nfs/dbraw/zinc/89/22/59/465892259.db2.gz JASMAXFGGFUYCW-NOZJJQNGSA-N 1 0 344.209 2.218 10 5 EEBERO CC(C)[NH+](CCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C(C)C ZINC000301092925 465899420 /nfs/dbraw/zinc/89/94/20/465899420.db2.gz PUSCVPFHJOKSGP-UHFFFAOYSA-N 1 0 336.392 2.456 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2OC)[C@H](C)C1 ZINC000331057943 465917154 /nfs/dbraw/zinc/91/71/54/465917154.db2.gz LZKGPNGPAQZJDO-TZMCWYRMSA-N 1 0 335.404 2.406 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353625793 466020446 /nfs/dbraw/zinc/02/04/46/466020446.db2.gz GXHMDSBOMIHAIE-DGCLKSJQSA-N 1 0 343.387 2.182 10 5 EEBERO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357686245 466210152 /nfs/dbraw/zinc/21/01/52/466210152.db2.gz OQWDCGFGMDHODI-SJCJKPOMSA-N 1 0 340.387 2.741 10 5 EEBERO Cc1cc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)on1 ZINC000353995997 466311042 /nfs/dbraw/zinc/31/10/42/466311042.db2.gz MXOGLGLFWOFNJM-NSHDSACASA-N 1 0 332.360 2.441 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000367711728 466510870 /nfs/dbraw/zinc/51/08/70/466510870.db2.gz FFHUTVRXESAXAG-NEPJUHHUSA-N 1 0 334.376 2.124 10 5 EEBERO C[N@@H+]1CC[C@](O)(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253534 466574187 /nfs/dbraw/zinc/57/41/87/466574187.db2.gz OBAHSKOWLGKFGA-MOPGFXCFSA-N 1 0 341.411 2.340 10 5 EEBERO Cc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000350740948 466594098 /nfs/dbraw/zinc/59/40/98/466594098.db2.gz AVZFSGQFVHXHEK-UHFFFAOYSA-N 1 0 326.418 2.208 10 5 EEBERO O=C1COc2cc([N+](=O)[O-])c(NC3CC([NH+]4CCCCC4)C3)cc2N1 ZINC000373672785 466884538 /nfs/dbraw/zinc/88/45/38/466884538.db2.gz OZKJMHHGEMPTTK-UHFFFAOYSA-N 1 0 346.387 2.355 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417713517 466915652 /nfs/dbraw/zinc/91/56/52/466915652.db2.gz HGXLKFXRUNUMIR-UONOGXRCSA-N 1 0 349.435 2.002 10 5 EEBERO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000378135805 467208240 /nfs/dbraw/zinc/20/82/40/467208240.db2.gz DZSDALQJQKDDCE-UHFFFAOYSA-N 1 0 331.376 2.291 10 5 EEBERO COC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000452102405 467323174 /nfs/dbraw/zinc/32/31/74/467323174.db2.gz KVVQTBKONNIPQK-PBHICJAKSA-N 1 0 347.415 2.449 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420349325 467372720 /nfs/dbraw/zinc/37/27/20/467372720.db2.gz OOENFNDYSBGHBQ-OKILXGFUSA-N 1 0 332.404 2.058 10 5 EEBERO C[NH+](C)C1CCN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000448942412 467606986 /nfs/dbraw/zinc/60/69/86/467606986.db2.gz RGXLHBBEMFUQBW-UHFFFAOYSA-N 1 0 333.388 2.110 10 5 EEBERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000449419600 467642440 /nfs/dbraw/zinc/64/24/40/467642440.db2.gz BNGUFTSJKWGDQP-LQJRIPTKSA-N 1 0 345.346 2.306 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)n1 ZINC000458271033 467800993 /nfs/dbraw/zinc/80/09/93/467800993.db2.gz UAPJWLKZAFEDEO-UHFFFAOYSA-N 1 0 331.376 2.434 10 5 EEBERO O=[N+]([O-])c1cccc2c1ccnc2NC[C@H](O)C[NH+]1CCCCC1 ZINC000450256094 467810053 /nfs/dbraw/zinc/81/00/53/467810053.db2.gz FIKVJXZGIYWSQE-ZDUSSCGKSA-N 1 0 330.388 2.402 10 5 EEBERO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487194178 468027787 /nfs/dbraw/zinc/02/77/87/468027787.db2.gz ILESUYMQGYSHGK-LLVKDONJSA-N 1 0 341.358 2.405 10 5 EEBERO C[NH+](C)CCn1cc(Nc2c3ccccc3ncc2[N+](=O)[O-])cn1 ZINC000589860700 468190831 /nfs/dbraw/zinc/19/08/31/468190831.db2.gz HCVYZMWIAZMWJL-UHFFFAOYSA-N 1 0 326.360 2.067 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)c1 ZINC000592139532 468634524 /nfs/dbraw/zinc/63/45/24/468634524.db2.gz LUCVDJXUBCLAMJ-SFHVURJKSA-N 1 0 344.415 2.455 10 5 EEBERO CN(CC(C)(C)[NH3+])c1ccc(I)cc1[N+](=O)[O-] ZINC000594693235 468656013 /nfs/dbraw/zinc/65/60/13/468656013.db2.gz LYUQPCRAXUTIPC-UHFFFAOYSA-N 1 0 349.172 2.373 10 5 EEBERO COc1ccc(OCCN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478948 468706391 /nfs/dbraw/zinc/70/63/91/468706391.db2.gz MSDSRHJZIZSIJC-GOEBONIOSA-N 1 0 349.431 2.446 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1CCO ZINC000595042558 468747626 /nfs/dbraw/zinc/74/76/26/468747626.db2.gz SVGYLBYOJYELGW-HIFRSBDPSA-N 1 0 337.420 2.101 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1nccn1C ZINC000595110004 468761293 /nfs/dbraw/zinc/76/12/93/468761293.db2.gz YPCLNBDELWWGKA-RYUDHWBXSA-N 1 0 331.376 2.396 10 5 EEBERO CN(CCC[NH+]1CCCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601159055 468765454 /nfs/dbraw/zinc/76/54/54/468765454.db2.gz DCOZMXZBBQNHMW-UHFFFAOYSA-N 1 0 335.330 2.269 10 5 EEBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)CC1C[NH+](C)C1 ZINC000598161165 468782466 /nfs/dbraw/zinc/78/24/66/468782466.db2.gz ALXXPYTVPZIFKO-SNVBAGLBSA-N 1 0 341.795 2.036 10 5 EEBERO Nc1c(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595225284 468788800 /nfs/dbraw/zinc/78/88/00/468788800.db2.gz MIJFLNTYHMNINJ-JSGCOSHPSA-N 1 0 332.404 2.171 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000601334951 468830981 /nfs/dbraw/zinc/83/09/81/468830981.db2.gz OZALQWJWKTVKMI-HIFRSBDPSA-N 1 0 343.387 2.219 10 5 EEBERO COc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595630752 468930717 /nfs/dbraw/zinc/93/07/17/468930717.db2.gz BXDBPDZMYFXIKR-SOUVJXGZSA-N 1 0 338.404 2.259 10 5 EEBERO CC(C)(C(=O)N1CCC(C)([NH+]2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000601741010 468999864 /nfs/dbraw/zinc/99/98/64/468999864.db2.gz ZYLRGAHZECRVSS-UHFFFAOYSA-N 1 0 349.435 2.003 10 5 EEBERO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000601850451 469057587 /nfs/dbraw/zinc/05/75/87/469057587.db2.gz NLRNYSXXVPJVDX-OAHLLOKOSA-N 1 0 340.383 2.303 10 5 EEBERO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599039046 469095327 /nfs/dbraw/zinc/09/53/27/469095327.db2.gz HGDWJWRKMUKHOE-ZDUSSCGKSA-N 1 0 329.404 2.191 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602922726 469166176 /nfs/dbraw/zinc/16/61/76/469166176.db2.gz CNYCCCTYVSFPTM-SJLPKXTDSA-N 1 0 344.367 2.098 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537382 469296331 /nfs/dbraw/zinc/29/63/31/469296331.db2.gz FAJYBOUTRNAXRU-ZDUSSCGKSA-N 1 0 325.796 2.284 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000596693245 469336445 /nfs/dbraw/zinc/33/64/45/469336445.db2.gz COVMPXIDNDJCGX-UHFFFAOYSA-N 1 0 344.318 2.222 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595829435 485609783 /nfs/dbraw/zinc/60/97/83/485609783.db2.gz HTULLQMJVYKPRF-ZIAGYGMSSA-N 1 0 333.388 2.200 10 5 EEBERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180985208 528292359 /nfs/dbraw/zinc/29/23/59/528292359.db2.gz JNGRCPWYFJTSBH-LBPRGKRZSA-N 1 0 337.376 2.030 10 5 EEBERO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000776812829 577468388 /nfs/dbraw/zinc/46/83/88/577468388.db2.gz NMBRKADDBAFCBJ-GJZGRUSLSA-N 1 0 344.795 2.158 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000762215455 577697377 /nfs/dbraw/zinc/69/73/77/577697377.db2.gz YXBOCZVTNWZWRS-UHFFFAOYSA-N 1 0 344.371 2.207 10 5 EEBERO COCC[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000755264228 577822634 /nfs/dbraw/zinc/82/26/34/577822634.db2.gz VXQVGUYTFIOTSU-OBEJXRGXSA-N 1 0 347.415 2.225 10 5 EEBERO Cc1c(Br)c(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000261861726 681844023 /nfs/dbraw/zinc/84/40/23/681844023.db2.gz XXMNCMFEOGNIKL-AEJSXWLSSA-N 1 0 341.209 2.234 10 5 EEBERO COC(=O)[C@H]1[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1(F)F ZINC000894850718 683192553 /nfs/dbraw/zinc/19/25/53/683192553.db2.gz NGHJWTGGGMMLEN-CMPLNLGQSA-N 1 0 328.315 2.474 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1 ZINC001266745547 1177337672 /nfs/dbraw/zinc/33/76/72/1177337672.db2.gz AMZIQJASKLCEPN-UHFFFAOYSA-N 1 0 327.384 2.386 10 5 EEBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC001670746178 1178286712 /nfs/dbraw/zinc/28/67/12/1178286712.db2.gz HNIAVSZZNDDVSH-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1cscn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267250228 1178617036 /nfs/dbraw/zinc/61/70/36/1178617036.db2.gz DZGUTMXSTSYEOJ-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001481247214 1180445577 /nfs/dbraw/zinc/44/55/77/1180445577.db2.gz LSGVRLXERCMDPE-UHFFFAOYSA-N 1 0 330.388 2.402 10 5 EEBERO Cn1ccc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001482997504 1187977419 /nfs/dbraw/zinc/97/74/19/1187977419.db2.gz PUTORFOCKXCNRD-NSCUHMNNSA-N 1 0 328.372 2.009 10 5 EEBERO O=C(CC(F)(F)F)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001483719361 1190814525 /nfs/dbraw/zinc/81/45/25/1190814525.db2.gz NUIYTFQHWARTFF-UHFFFAOYSA-N 1 0 331.294 2.286 10 5 EEBERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001626016131 1190904639 /nfs/dbraw/zinc/90/46/39/1190904639.db2.gz QNVLLOGQWLKOFD-JTQLQIEISA-N 1 0 343.815 2.356 10 5 EEBERO C[C@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000864618852 1197844772 /nfs/dbraw/zinc/84/47/72/1197844772.db2.gz YNCWIYXOOLPURZ-JTQLQIEISA-N 1 0 343.330 2.071 10 5 EEBERO CN1Cc2ccccc2[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000872236604 1198103997 /nfs/dbraw/zinc/10/39/97/1198103997.db2.gz RZAWPMVKKPLWDQ-ROUUACIJSA-N 1 0 327.384 2.405 10 5 EEBERO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000872313697 1198142521 /nfs/dbraw/zinc/14/25/21/1198142521.db2.gz PEHBQPUCEIOGIF-HIFRSBDPSA-N 1 0 339.779 2.488 10 5 EEBERO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc2)CC1 ZINC000814041200 1199269983 /nfs/dbraw/zinc/26/99/83/1199269983.db2.gz QKGWAOLIIYMTRW-AWEZNQCLSA-N 1 0 335.404 2.039 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000866353649 1201498728 /nfs/dbraw/zinc/49/87/28/1201498728.db2.gz IPWALFQXODNXDN-XFJVYGCCSA-N 1 0 342.411 2.413 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000868210291 1201765438 /nfs/dbraw/zinc/76/54/38/1201765438.db2.gz KBDVYCHTAYPLBF-GJZGRUSLSA-N 1 0 332.404 2.329 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000868488537 1201821219 /nfs/dbraw/zinc/82/12/19/1201821219.db2.gz DOZAOGOSLUABFR-ZDUSSCGKSA-N 1 0 332.404 2.353 10 5 EEBERO CC[N@H+](CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O)C(C)C ZINC000925295124 1206092043 /nfs/dbraw/zinc/09/20/43/1206092043.db2.gz JFLJCXHGNUUJBT-QGZVFWFLSA-N 1 0 348.403 2.092 10 5 EEBERO O=[N+]([O-])c1ccc(OC2CC[NH+](CCO[C@H]3CCOC3)CC2)cc1 ZINC000929748117 1206497742 /nfs/dbraw/zinc/49/77/42/1206497742.db2.gz IMWNCUFIYIBZFR-KRWDZBQOSA-N 1 0 336.388 2.244 10 5 EEBERO CCO[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C[NH+](C)C ZINC000930160216 1206538522 /nfs/dbraw/zinc/53/85/22/1206538522.db2.gz MCCMESUBRYLIJS-LLVKDONJSA-N 1 0 344.799 2.336 10 5 EEBERO CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000778268189 1208028640 /nfs/dbraw/zinc/02/86/40/1208028640.db2.gz CULRXWYOLUCXEA-CQSZACIVSA-N 1 0 339.342 2.239 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468833 1240565877 /nfs/dbraw/zinc/56/58/77/1240565877.db2.gz OPGBBOSOFOJUGA-IUODEOHRSA-N 1 0 332.404 2.104 10 5 EEBERO O=C(CN[C@@H]1CC[NH2+]C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000903470068 1240571886 /nfs/dbraw/zinc/57/18/86/1240571886.db2.gz FDXQAHRIGFENHO-CYBMUJFWSA-N 1 0 338.795 2.061 10 5 EEBERO COc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000850348418 1277191857 /nfs/dbraw/zinc/19/18/57/1277191857.db2.gz LOZBVDZNDYMVSQ-JOCHJYFZSA-N 1 0 340.323 2.004 10 5 EEBERO Nc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000850716733 1277311569 /nfs/dbraw/zinc/31/15/69/1277311569.db2.gz XPVHUJSWESTFAK-HIFRSBDPSA-N 1 0 332.404 2.171 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3nccc(C)c3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001187931732 1279711114 /nfs/dbraw/zinc/71/11/14/1279711114.db2.gz ORWYMHHAJURQHQ-OAHLLOKOSA-N 1 0 342.399 2.328 10 5 EEBERO C/C=C(\C)C(=O)N1CCC(CC)([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001273750622 1284760017 /nfs/dbraw/zinc/76/00/17/1284760017.db2.gz VLWDBRUBPYSJQR-WLRTZDKTSA-N 1 0 349.435 2.155 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC001273929461 1289920713 /nfs/dbraw/zinc/92/07/13/1289920713.db2.gz SDFCDXMXUGAWJC-OWOJBTEDSA-N 1 0 344.346 2.205 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852351150 1292096903 /nfs/dbraw/zinc/09/69/03/1292096903.db2.gz JAELBCVJKNEPOG-GLQYFDAESA-N 1 0 326.368 2.390 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1Cl ZINC000852706843 1292172724 /nfs/dbraw/zinc/17/27/24/1292172724.db2.gz BKWXWSIXKKRAKC-CQSZACIVSA-N 1 0 339.823 2.279 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)s1 ZINC000854150503 1292648804 /nfs/dbraw/zinc/64/88/04/1292648804.db2.gz NVEXOCAPNPPAOP-ZETCQYMHSA-N 1 0 332.345 2.173 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000856427846 1293523931 /nfs/dbraw/zinc/52/39/31/1293523931.db2.gz HHCZJZBMHKZBMU-JEZWAEDTSA-N 1 0 347.415 2.177 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859208297 1294349237 /nfs/dbraw/zinc/34/92/37/1294349237.db2.gz LRJZBGWUUSWAAR-LLVKDONJSA-N 1 0 341.795 2.089 10 5 EEBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)n1C ZINC001277001627 1300767208 /nfs/dbraw/zinc/76/72/08/1300767208.db2.gz GCQKVLADOAARGR-UHFFFAOYSA-N 1 0 342.399 2.294 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001118290352 1306335511 /nfs/dbraw/zinc/33/55/11/1306335511.db2.gz KARLPQJRHCKOBA-CZUORRHYSA-N 1 0 334.372 2.382 10 5 EEBERO Cc1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c(N)c([N+](=O)[O-])c1 ZINC001149198625 1315930551 /nfs/dbraw/zinc/93/05/51/1315930551.db2.gz ZPDSEIJHIRNSNB-KGLIPLIRSA-N 1 0 332.404 2.088 10 5 EEBERO Cc1n[nH]cc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001280495115 1324255784 /nfs/dbraw/zinc/25/57/84/1324255784.db2.gz LDGYUOBTMPEWJO-UHFFFAOYSA-N 1 0 343.387 2.069 10 5 EEBERO CCOCC(=O)N1CCC(CC)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001280989864 1324700868 /nfs/dbraw/zinc/70/08/68/1324700868.db2.gz LSTCJIXGPLRTTN-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001320970668 1332989608 /nfs/dbraw/zinc/98/96/08/1332989608.db2.gz MURCNJSIHBCDDT-AATRIKPKSA-N 1 0 341.367 2.376 10 5 EEBERO CC(F)(F)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001326773308 1334157551 /nfs/dbraw/zinc/15/75/51/1334157551.db2.gz TUBXPGHAGHMFGO-UHFFFAOYSA-N 1 0 327.331 2.379 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC001340741446 1337239421 /nfs/dbraw/zinc/23/94/21/1337239421.db2.gz DWZVDZHVOCXCLT-ZDUSSCGKSA-N 1 0 335.404 2.191 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001352562399 1337981381 /nfs/dbraw/zinc/98/13/81/1337981381.db2.gz BVQBHEUREPCOKH-IAGOWNOFSA-N 1 0 347.415 2.011 10 5 EEBERO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2[nH]ncc2[N+](=O)[O-])c1 ZINC001616634561 1352330460 /nfs/dbraw/zinc/33/04/60/1352330460.db2.gz WZJFHVGAGWWVDU-UHFFFAOYSA-N 1 0 331.376 2.088 10 5 EEBERO CC[N@H+](CCNC(=O)c1ccc(F)cn1)Cc1cccc([N+](=O)[O-])c1 ZINC001663372575 1354954346 /nfs/dbraw/zinc/95/43/46/1354954346.db2.gz NHAOQZCZHSFAHD-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO O=C(Cc1ccc[nH]1)NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001567454396 1342764012 /nfs/dbraw/zinc/76/40/12/1342764012.db2.gz RXOPCBUTDLVONO-UHFFFAOYSA-N 1 0 342.399 2.246 10 5 EEBERO O=C(NCC1=CC[N@H+](CCCCC(F)(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001571687221 1343271735 /nfs/dbraw/zinc/27/17/35/1343271735.db2.gz XLKPDDVCZGPGFD-CHWSQXEVSA-N 1 0 349.353 2.133 10 5 EEBERO C[N@H+](CCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC001587294575 1348859685 /nfs/dbraw/zinc/85/96/85/1348859685.db2.gz XNPYTNMPWHXYMR-UHFFFAOYSA-N 1 0 343.815 2.356 10 5 EEBERO O=C(NCCc1ccns1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001596532666 1349908200 /nfs/dbraw/zinc/90/82/00/1349908200.db2.gz JFLFCQXKYVZMJN-UHFFFAOYSA-N 1 0 343.368 2.210 10 5 EEBERO C[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001625287758 1352445312 /nfs/dbraw/zinc/44/53/12/1352445312.db2.gz GTDJAVRWZGRBHZ-LLVKDONJSA-N 1 0 328.372 2.012 10 5 EEBERO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001628744663 1352542375 /nfs/dbraw/zinc/54/23/75/1352542375.db2.gz BZNHVXNTEXEKGD-ZDUSSCGKSA-N 1 0 334.420 2.417 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1F ZINC001628987303 1352546777 /nfs/dbraw/zinc/54/67/77/1352546777.db2.gz HINWWQKEBFRFCM-UHFFFAOYSA-N 1 0 334.307 2.148 10 5 EEBERO CC[N@H+]1[C@H](C)CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001631498123 1352584593 /nfs/dbraw/zinc/58/45/93/1352584593.db2.gz JXPFIGLWPCZODB-OKILXGFUSA-N 1 0 334.420 2.338 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC001660347210 1354445822 /nfs/dbraw/zinc/44/58/22/1354445822.db2.gz KTDSLZJAFULFTA-HNNXBMFYSA-N 1 0 335.404 2.373 10 5 EEBERO Cc1ncc(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001668740354 1355995692 /nfs/dbraw/zinc/99/56/92/1355995692.db2.gz ULTOCVQVSXLJNO-NSCUHMNNSA-N 1 0 346.412 2.436 10 5 EEBERO CCn1ccc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001670271334 1356308354 /nfs/dbraw/zinc/30/83/54/1356308354.db2.gz IWSFEHWDAUQAEX-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO Cc1cc(Cl)ccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699255452 1405295805 /nfs/dbraw/zinc/29/58/05/1405295805.db2.gz NHSMCRSNKSPTGO-SWVJOTTGSA-N 1 0 337.807 2.076 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000908346869 785339865 /nfs/dbraw/zinc/33/98/65/785339865.db2.gz ILXBLGVRRPXUAE-UFBFGSQYSA-N 1 0 327.743 2.163 10 5 EEBERO Cn1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000819182445 785451964 /nfs/dbraw/zinc/45/19/64/785451964.db2.gz CUESQIUGCBTJST-LBPRGKRZSA-N 1 0 344.293 2.170 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913279722 788740029 /nfs/dbraw/zinc/74/00/29/788740029.db2.gz WKEILXSIAZCHBC-HDICACEKSA-N 1 0 347.415 2.407 10 5 EEBERO Cc1c(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844161127 788906647 /nfs/dbraw/zinc/90/66/47/788906647.db2.gz XFQUNBWNWZJEIR-CQSZACIVSA-N 1 0 348.359 2.216 10 5 EEBERO COc1ccc(OCCN2CC[C@@]3(C2)CCCC[NH2+]3)c([N+](=O)[O-])c1 ZINC000923533441 789735423 /nfs/dbraw/zinc/73/54/23/789735423.db2.gz HYHOOMNFSBHBFT-QGZVFWFLSA-N 1 0 335.404 2.200 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC001178710000 799599872 /nfs/dbraw/zinc/59/98/72/799599872.db2.gz UNLHKOREINFDSF-ZDUSSCGKSA-N 1 0 325.796 2.247 10 5 EEBERO CN(CC(=O)Nc1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC001456450350 1109180205 /nfs/dbraw/zinc/18/02/05/1109180205.db2.gz VZLWRFOQLZXKKZ-UHFFFAOYSA-N 1 0 325.328 2.317 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC001460829029 1110325622 /nfs/dbraw/zinc/32/56/22/1110325622.db2.gz NOLWWRMDTCHREQ-UHFFFAOYSA-N 1 0 344.371 2.464 10 5 EEBERO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccc2c[nH+]cn2c1 ZINC001528282749 1120981498 /nfs/dbraw/zinc/98/14/98/1120981498.db2.gz QZYWVUNEPXQTKT-UHFFFAOYSA-N 1 0 344.302 2.077 10 5 EEBERO O=C(NC[C@@]12CC[N@H+](C1)CCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001528581019 1121073355 /nfs/dbraw/zinc/07/33/55/1121073355.db2.gz CDKDHUWOOTUWER-GOSISDBHSA-N 1 0 344.415 2.385 10 5 EEBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001529414557 1121433313 /nfs/dbraw/zinc/43/33/13/1121433313.db2.gz HOMBTYVENGRRHG-NSHDSACASA-N 1 0 337.376 2.174 10 5 EEBERO COCC1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001565868619 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O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226643 468788844 /nfs/dbraw/zinc/78/88/44/468788844.db2.gz XLZSVLOQJYINNG-RHSMWYFYSA-N 1 0 347.415 2.354 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601355885 468837250 /nfs/dbraw/zinc/83/72/50/468837250.db2.gz AMVXBQVXKNJBIJ-KOLCDFICSA-N 1 0 347.462 2.068 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000598541844 468907563 /nfs/dbraw/zinc/90/75/63/468907563.db2.gz WICZPDSBOYDEGB-AWEZNQCLSA-N 1 0 335.404 2.086 10 5 EEBERO COC(=O)c1ccnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000598598072 468927381 /nfs/dbraw/zinc/92/73/81/468927381.db2.gz YTIVUUVYHOAXIU-ZDUSSCGKSA-N 1 0 348.403 2.231 10 5 EEBERO CCOCC[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593461576 468989763 /nfs/dbraw/zinc/98/97/63/468989763.db2.gz RFAOLFOCHOPEAG-UHFFFAOYSA-N 1 0 330.388 2.302 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000595923997 469085357 /nfs/dbraw/zinc/08/53/57/469085357.db2.gz DNHWESGKCWPQRA-GFCCVEGCSA-N 1 0 344.375 2.062 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000593669882 469085819 /nfs/dbraw/zinc/08/58/19/469085819.db2.gz CEXPGJUYJUGHRL-QILLFSRXSA-N 1 0 334.416 2.437 10 5 EEBERO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936139 469091743 /nfs/dbraw/zinc/09/17/43/469091743.db2.gz XJNMGLPBWAXQQR-INIZCTEOSA-N 1 0 331.416 2.376 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000599041417 469097119 /nfs/dbraw/zinc/09/71/19/469097119.db2.gz VSVBSAJABYDAPO-DOTOQJQBSA-N 1 0 342.399 2.178 10 5 EEBERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000599090745 469115547 /nfs/dbraw/zinc/11/55/47/469115547.db2.gz CHEJCRMHXRIUDD-VNHYZAJKSA-N 1 0 330.344 2.393 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000596425930 469262581 /nfs/dbraw/zinc/26/25/81/469262581.db2.gz YVSDYRVCIQHDNW-UHFFFAOYSA-N 1 0 331.420 2.438 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552023 469290798 /nfs/dbraw/zinc/29/07/98/469290798.db2.gz COJOKRDWQXGQNZ-BMFZPTHFSA-N 1 0 338.429 2.304 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596540900 469297518 /nfs/dbraw/zinc/29/75/18/469297518.db2.gz VVZOVVKYWYEQGR-OAHLLOKOSA-N 1 0 342.399 2.178 10 5 EEBERO CC(C)(C)c1ccc(NC(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599604877 469306471 /nfs/dbraw/zinc/30/64/71/469306471.db2.gz UMVMOAZDPXJDMU-UHFFFAOYSA-N 1 0 338.408 2.379 10 5 EEBERO COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC000599639314 469318799 /nfs/dbraw/zinc/31/87/99/469318799.db2.gz BUUSMCAQIFZMTI-SUMWQHHRSA-N 1 0 336.388 2.077 10 5 EEBERO Cn1cc(C[NH2+][C@H]2CCCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836103 469882532 /nfs/dbraw/zinc/88/25/32/469882532.db2.gz LTMMEMMZHMVERO-HNNXBMFYSA-N 1 0 329.404 2.179 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610105213 469980877 /nfs/dbraw/zinc/98/08/77/469980877.db2.gz HYEKLWLXPPKWJS-OAHLLOKOSA-N 1 0 334.420 2.311 10 5 EEBERO CC[N@H+](CCc1nccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000159255303 528607572 /nfs/dbraw/zinc/60/75/72/528607572.db2.gz FUTUDQHAGVFCKA-UHFFFAOYSA-N 1 0 334.401 2.215 10 5 EEBERO CC[NH+](CC)CCO[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447692144 535551177 /nfs/dbraw/zinc/55/11/77/535551177.db2.gz ZATYLLSJDLVLCA-AWEZNQCLSA-N 1 0 347.419 2.408 10 5 EEBERO C[NH+](C)CCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000747770091 577949803 /nfs/dbraw/zinc/94/98/03/577949803.db2.gz ZTPAOAPVGXYVIA-UHFFFAOYSA-N 1 0 338.360 2.255 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898833442 693474937 /nfs/dbraw/zinc/47/49/37/693474937.db2.gz SSTYNJNBLCUPSJ-GJZGRUSLSA-N 1 0 333.388 2.206 10 5 EEBERO Cc1nc(CC(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001690994509 1176435064 /nfs/dbraw/zinc/43/50/64/1176435064.db2.gz HBIVXHLQORCZSS-UHFFFAOYSA-N 1 0 348.428 2.150 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1coc(C2CC2)n1 ZINC001691502651 1182474411 /nfs/dbraw/zinc/47/44/11/1182474411.db2.gz LIEDSSRLGLUJLV-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccoc1 ZINC001268445399 1182614181 /nfs/dbraw/zinc/61/41/81/1182614181.db2.gz DBJICTUULGHCFP-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO CCN(CC[NH2+]Cc1cc(F)ccc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450521 1182636019 /nfs/dbraw/zinc/63/60/19/1182636019.db2.gz WYTGZRJOJDIRIF-TZMCWYRMSA-N 1 0 343.786 2.082 10 5 EEBERO CC(C)(C)CCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001481897130 1182907812 /nfs/dbraw/zinc/90/78/12/1182907812.db2.gz OXKVJPAOMZHVOY-ZIAGYGMSSA-N 1 0 325.453 2.497 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC001268525953 1183179020 /nfs/dbraw/zinc/17/90/20/1183179020.db2.gz UANDLAJOPSCHHG-ONEGZZNKSA-N 1 0 344.346 2.205 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsn1 ZINC001483022232 1188011654 /nfs/dbraw/zinc/01/16/54/1188011654.db2.gz GNVOAFQDAGRTOI-UPHRSURJSA-N 1 0 332.385 2.127 10 5 EEBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccccn1 ZINC001483448989 1190483575 /nfs/dbraw/zinc/48/35/75/1190483575.db2.gz NGIXYONWXJAPMB-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(CF)CCC1 ZINC001483768705 1191002761 /nfs/dbraw/zinc/00/27/61/1191002761.db2.gz SOLGXDRMEVVQCZ-UHFFFAOYSA-N 1 0 335.379 2.473 10 5 EEBERO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018848 1198026897 /nfs/dbraw/zinc/02/68/97/1198026897.db2.gz QOYPOQJPHBPOLL-GFCCVEGCSA-N 1 0 325.384 2.495 10 5 EEBERO C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057764 1198036317 /nfs/dbraw/zinc/03/63/17/1198036317.db2.gz IBPBNWALTDKCHT-NEPJUHHUSA-N 1 0 340.351 2.307 10 5 EEBERO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000874827780 1199023135 /nfs/dbraw/zinc/02/31/35/1199023135.db2.gz UDCHRVBDJIGCEV-HZMVEIRTSA-N 1 0 329.400 2.393 10 5 EEBERO C[N@@H+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCC1(C)C ZINC000866114232 1201436436 /nfs/dbraw/zinc/43/64/36/1201436436.db2.gz IXRRFQNWQHAMLF-UHFFFAOYSA-N 1 0 346.431 2.408 10 5 EEBERO CCOC(=O)c1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866207535 1201464594 /nfs/dbraw/zinc/46/45/94/1201464594.db2.gz XEIXJYSVZSUXLP-SWLSCSKDSA-N 1 0 333.388 2.302 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866721813 1201589878 /nfs/dbraw/zinc/58/98/78/1201589878.db2.gz PXISOCVURBCGBS-GOEBONIOSA-N 1 0 332.404 2.058 10 5 EEBERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000867632252 1201647854 /nfs/dbraw/zinc/64/78/54/1201647854.db2.gz TYYSLFHAQJGWCB-UHFFFAOYSA-N 1 0 347.462 2.151 10 5 EEBERO CC[NH+]1CCC(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000868362993 1201799345 /nfs/dbraw/zinc/79/93/45/1201799345.db2.gz FDKCULHHWSMVOQ-UHFFFAOYSA-N 1 0 334.420 2.434 10 5 EEBERO C[C@@H](c1ccccc1[N+](=O)[O-])N1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924527861 1205991264 /nfs/dbraw/zinc/99/12/64/1205991264.db2.gz CJUAWNWVHDXVQK-JSGCOSHPSA-N 1 0 346.387 2.062 10 5 EEBERO O=[N+]([O-])c1ccc(F)cc1CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931290565 1206622431 /nfs/dbraw/zinc/62/24/31/1206622431.db2.gz AYYPHFPYKJZWAC-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO O=C(CCN[C@@H]1CC[NH2+]C12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000903486660 1240626299 /nfs/dbraw/zinc/62/62/99/1240626299.db2.gz XFSQFLUDQIIFRG-OAHLLOKOSA-N 1 0 332.404 2.188 10 5 EEBERO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCOC1 ZINC000850485062 1277243289 /nfs/dbraw/zinc/24/32/89/1277243289.db2.gz WTMWLQGRMJNPMK-RDTXWAMCSA-N 1 0 349.431 2.205 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccco1 ZINC001273674111 1282955625 /nfs/dbraw/zinc/95/56/25/1282955625.db2.gz QHYNGCPLIJEXSY-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO C[C@@H](CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000853824972 1292475010 /nfs/dbraw/zinc/47/50/10/1292475010.db2.gz AVRPGAXGZHKSNN-JTQLQIEISA-N 1 0 331.319 2.023 10 5 EEBERO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]3[NH2+]Cc4ccccc43)n2)n1C ZINC000854153576 1292649860 /nfs/dbraw/zinc/64/98/60/1292649860.db2.gz OALUZULOICAKLN-GFCCVEGCSA-N 1 0 340.343 2.074 10 5 EEBERO CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000855491271 1293230995 /nfs/dbraw/zinc/23/09/95/1293230995.db2.gz YTNXDJVBSFJPNQ-GFCCVEGCSA-N 1 0 336.348 2.059 10 5 EEBERO C[C@@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000857768344 1293911572 /nfs/dbraw/zinc/91/15/72/1293911572.db2.gz OEXPAORLFWRPPZ-QMTHXVAHSA-N 1 0 343.330 2.010 10 5 EEBERO COc1cc(Cc2noc([C@H](F)[C@H]3CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000863663409 1296372530 /nfs/dbraw/zinc/37/25/30/1296372530.db2.gz AONCCDPGDZGVGK-IINYFYTJSA-N 1 0 336.323 2.197 10 5 EEBERO Cc1nc(C)c(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC001277027979 1300940774 /nfs/dbraw/zinc/94/07/74/1300940774.db2.gz LUKVLOJZWAEMJM-UHFFFAOYSA-N 1 0 344.371 2.252 10 5 EEBERO CCc1cc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)no1 ZINC001277223940 1301904779 /nfs/dbraw/zinc/90/47/79/1301904779.db2.gz AOUAZRYETJWNRY-UHFFFAOYSA-N 1 0 344.371 2.197 10 5 EEBERO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161122 1315493570 /nfs/dbraw/zinc/49/35/70/1315493570.db2.gz KAHVTQBPVIBLIX-BQBZGAKWSA-N 1 0 331.170 2.215 10 5 EEBERO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000843086797 1315838158 /nfs/dbraw/zinc/83/81/58/1315838158.db2.gz JEBOVDLHDWCRQL-YMRXKLBXSA-N 1 0 334.347 2.479 10 5 EEBERO O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843361496 1315900793 /nfs/dbraw/zinc/90/07/93/1315900793.db2.gz JYTKYIAJCQQREP-LBPRGKRZSA-N 1 0 338.795 2.013 10 5 EEBERO O=C(Cc1ccco1)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001263875214 1322544527 /nfs/dbraw/zinc/54/45/27/1322544527.db2.gz KHBZFUHKXLXABQ-SHTZXODSSA-N 1 0 343.383 2.415 10 5 EEBERO CC(F)(F)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001265493630 1323182458 /nfs/dbraw/zinc/18/24/58/1323182458.db2.gz AODWYMXFNPGMGF-MGCOHNPYSA-N 1 0 333.360 2.438 10 5 EEBERO CC(C)(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCCCC1 ZINC001296445311 1329892477 /nfs/dbraw/zinc/89/24/77/1329892477.db2.gz TZMLGGQUSJZXFN-UHFFFAOYSA-N 1 0 347.415 2.449 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)no1 ZINC001322403606 1333260022 /nfs/dbraw/zinc/26/00/22/1333260022.db2.gz SWIMOQJAWVFMHN-UHFFFAOYSA-N 1 0 338.389 2.205 10 5 EEBERO O=C(NCC1([NH2+]C/C=C\c2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001323445131 1333465647 /nfs/dbraw/zinc/46/56/47/1333465647.db2.gz YJAXFHZUUOUDAQ-LHBIUNCVSA-N 1 0 349.818 2.257 10 5 EEBERO CC(C)(NCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC001333175139 1335976041 /nfs/dbraw/zinc/97/60/41/1335976041.db2.gz CQPIWEMOFOUEFJ-HNNXBMFYSA-N 1 0 344.419 2.136 10 5 EEBERO CCOc1cc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC001345351150 1337439733 /nfs/dbraw/zinc/43/97/33/1337439733.db2.gz UCEQVKUOWYICPF-IACUBPJLSA-N 1 0 348.403 2.455 10 5 EEBERO CCOc1cc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC001345351148 1337439802 /nfs/dbraw/zinc/43/98/02/1337439802.db2.gz UCEQVKUOWYICPF-FPMFFAJLSA-N 1 0 348.403 2.455 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001351834531 1337855574 /nfs/dbraw/zinc/85/55/74/1337855574.db2.gz BHKZPUHGMOSHFH-QEJZJMRPSA-N 1 0 332.404 2.076 10 5 EEBERO CC(C)[N@H+](C)CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001559091926 1342497729 /nfs/dbraw/zinc/49/77/29/1342497729.db2.gz XRESGZUYCLSPHV-UHFFFAOYSA-N 1 0 333.348 2.225 10 5 EEBERO COc1cccc(C(=O)NCc2ccc3c[nH+]cn3c2)c1[N+](=O)[O-] ZINC001584523331 1348739170 /nfs/dbraw/zinc/73/91/70/1348739170.db2.gz BXGOXHUDFOTERH-UHFFFAOYSA-N 1 0 326.312 2.181 10 5 EEBERO Cc1ccc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC001629285152 1352550637 /nfs/dbraw/zinc/55/06/37/1352550637.db2.gz PKEQUAJHZGRNTH-UHFFFAOYSA-N 1 0 329.360 2.194 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001630205099 1352565369 /nfs/dbraw/zinc/56/53/69/1352565369.db2.gz YRKKHMIOTPIKGH-QWRGUYRKSA-N 1 0 340.811 2.433 10 5 EEBERO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001635813329 1352653130 /nfs/dbraw/zinc/65/31/30/1352653130.db2.gz DSLDQMQMRJCVJO-IINYFYTJSA-N 1 0 337.807 2.390 10 5 EEBERO Cc1ccnc(N2CCC(O)(C[NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC001640520493 1352711057 /nfs/dbraw/zinc/71/10/57/1352711057.db2.gz BSRGUHIQNOEUSP-UHFFFAOYSA-N 1 0 334.420 2.115 10 5 EEBERO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001651084996 1354039227 /nfs/dbraw/zinc/03/92/27/1354039227.db2.gz CDPFIRCNOAONDS-AWEZNQCLSA-N 1 0 346.431 2.482 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC001652316644 1354087214 /nfs/dbraw/zinc/08/72/14/1354087214.db2.gz BQHGQXBNGJDLID-RHSMWYFYSA-N 1 0 328.372 2.298 10 5 EEBERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001653035470 1354111389 /nfs/dbraw/zinc/11/13/89/1354111389.db2.gz QOGSPABXDFEIRN-YPMHNXCESA-N 1 0 349.353 2.409 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)Cc1cccnc1 ZINC001656461939 1354240999 /nfs/dbraw/zinc/24/09/99/1354240999.db2.gz YNGQGBURNLPHND-GFCCVEGCSA-N 1 0 344.371 2.158 10 5 EEBERO CC(C)(C)OCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001661413318 1354636089 /nfs/dbraw/zinc/63/60/89/1354636089.db2.gz MHNRPZFJJXZUFC-HDJSIYSDSA-N 1 0 335.404 2.147 10 5 EEBERO CC(C)OCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001661569435 1354660422 /nfs/dbraw/zinc/66/04/22/1354660422.db2.gz PPFLHQJNMSBGHV-GASCZTMLSA-N 1 0 335.404 2.147 10 5 EEBERO CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668426523 1355938809 /nfs/dbraw/zinc/93/88/09/1355938809.db2.gz LRAYGNPAEWPHBI-NVXWUHKLSA-N 1 0 333.432 2.215 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCn2ccnc21 ZINC000824525823 788201822 /nfs/dbraw/zinc/20/18/22/788201822.db2.gz DRJOXSLQEAUUBM-SMDDNHRTSA-N 1 0 329.360 2.243 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442488 789126869 /nfs/dbraw/zinc/12/68/69/789126869.db2.gz YRVRKVDKKPIKCM-IUODEOHRSA-N 1 0 342.342 2.456 10 5 EEBERO C[C@](O)(C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(F)F ZINC000698591218 791245751 /nfs/dbraw/zinc/24/57/51/791245751.db2.gz FNFLBVFKYXQESI-NSHDSACASA-N 1 0 339.136 2.463 10 5 EEBERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000096628232 797723385 /nfs/dbraw/zinc/72/33/85/797723385.db2.gz MWOIUUIVUZJSGU-AWEZNQCLSA-N 1 0 334.420 2.243 10 5 EEBERO Cc1c(Br)c(N[C@H]2C[NH2+]CC2(C)C)ncc1[N+](=O)[O-] ZINC000721951474 797776828 /nfs/dbraw/zinc/77/68/28/797776828.db2.gz BWWOUAZQMMWVHZ-VIFPVBQESA-N 1 0 329.198 2.471 10 5 EEBERO Nc1c(Cl)cc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001440646107 1093917211 /nfs/dbraw/zinc/91/72/11/1093917211.db2.gz VDWJHNWFHHHVAZ-UHFFFAOYSA-N 1 0 340.811 2.436 10 5 EEBERO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(C(F)F)CC1 ZINC001480138649 1099703899 /nfs/dbraw/zinc/70/38/99/1099703899.db2.gz KPBOBKVURHFRAC-HAQNSBGRSA-N 1 0 339.342 2.377 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001446377502 1100755576 /nfs/dbraw/zinc/75/55/76/1100755576.db2.gz QHKIOOWMTMCQRH-YVEFUNNKSA-N 1 0 344.415 2.266 10 5 EEBERO CC(C)(C)OCC(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001497562497 1102672851 /nfs/dbraw/zinc/67/28/51/1102672851.db2.gz LMWCXHKWBIZTRH-PLNGDYQASA-N 1 0 335.404 2.172 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001497573294 1102684772 /nfs/dbraw/zinc/68/47/72/1102684772.db2.gz ODBHRUBVBQFEAZ-YRAIRHMHSA-N 1 0 340.383 2.398 10 5 EEBERO Cc1cc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001498545701 1107698325 /nfs/dbraw/zinc/69/83/25/1107698325.db2.gz LCTVZNZAMOZELH-NVXWUHKLSA-N 1 0 333.432 2.215 10 5 EEBERO Cc1ncsc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001493484448 1108223134 /nfs/dbraw/zinc/22/31/34/1108223134.db2.gz GVLONTLJQBPVGP-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]C/C=C/Cl)Cc1ccccc1 ZINC001501193528 1113236520 /nfs/dbraw/zinc/23/65/20/1113236520.db2.gz GTNBIHHLHOYDLX-HYBGQWMJSA-N 1 0 337.807 2.023 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC001520867977 1119199459 /nfs/dbraw/zinc/19/94/59/1119199459.db2.gz OPGXNSPOKBOWSP-GHJWDPDVSA-N 1 0 349.406 2.468 10 5 EEBERO CC(C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000054131714 214217905 /nfs/dbraw/zinc/21/79/05/214217905.db2.gz NWCSCBOIAQOCPU-UHFFFAOYSA-N 1 0 344.209 2.427 10 5 EEBERO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000065971083 215001980 /nfs/dbraw/zinc/00/19/80/215001980.db2.gz HQPOPMLSKVERMS-UHFFFAOYSA-N 1 0 347.462 2.151 10 5 EEBERO CN(c1ncnc(Nc2ccccn2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040646901 213364117 /nfs/dbraw/zinc/36/41/17/213364117.db2.gz CSYOGTMPMBOWFZ-UHFFFAOYSA-N 1 0 343.391 2.054 10 5 EEBERO CN(c1ncnc(Nc2cccnc2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040628556 213361499 /nfs/dbraw/zinc/36/14/99/213361499.db2.gz CWIUXDDRVDNEDW-UHFFFAOYSA-N 1 0 343.391 2.054 10 5 EEBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000451238151 243043200 /nfs/dbraw/zinc/04/32/00/243043200.db2.gz CRUAHGZLYFAULC-IINYFYTJSA-N 1 0 337.376 2.088 10 5 EEBERO COC(OC)[C@@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000079608965 217244788 /nfs/dbraw/zinc/24/47/88/217244788.db2.gz KORSODRISODNEN-MRVPVSSYSA-N 1 0 333.182 2.454 10 5 EEBERO COCC[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000153803744 532968270 /nfs/dbraw/zinc/96/82/70/532968270.db2.gz DJSZMKQUPLTVAU-GFCCVEGCSA-N 1 0 327.812 2.401 10 5 EEBERO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000273378260 256291307 /nfs/dbraw/zinc/29/13/07/256291307.db2.gz BRKZFGOATNHTAC-GOEBONIOSA-N 1 0 349.431 2.266 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449389401 533408544 /nfs/dbraw/zinc/40/85/44/533408544.db2.gz CMXNRFPVGIYTQA-OTMARIDSSA-N 1 0 333.432 2.435 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000191700533 152269068 /nfs/dbraw/zinc/26/90/68/152269068.db2.gz ZFTZWVKBXBJXKS-ZDUSSCGKSA-N 1 0 345.403 2.062 10 5 EEBERO COc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000249950916 160387233 /nfs/dbraw/zinc/38/72/33/160387233.db2.gz HMPWVHBBZQLXDV-RISCZKNCSA-N 1 0 333.388 2.221 10 5 EEBERO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000129472155 159530664 /nfs/dbraw/zinc/53/06/64/159530664.db2.gz ZFWISTZBHJRCIZ-FOSCPWQOSA-N 1 0 348.359 2.133 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195311857 160210208 /nfs/dbraw/zinc/21/02/08/160210208.db2.gz QPFZZYDZJCNQLQ-CQSZACIVSA-N 1 0 330.388 2.089 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000248467829 160348467 /nfs/dbraw/zinc/34/84/67/160348467.db2.gz SYXOXBNYQWWBGY-CABCVRRESA-N 1 0 346.387 2.285 10 5 EEBERO CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)CC[NH+](CC)CC ZINC000352905299 162339449 /nfs/dbraw/zinc/33/94/49/162339449.db2.gz BEGHYICYMSSVPK-UHFFFAOYSA-N 1 0 343.449 2.483 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359041602 164044129 /nfs/dbraw/zinc/04/41/29/164044129.db2.gz MWZNDTNNTKOLHX-UHFFFAOYSA-N 1 0 331.319 2.268 10 5 EEBERO Cc1cc(N2CCC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)n(C)n1 ZINC000369297702 166232016 /nfs/dbraw/zinc/23/20/16/166232016.db2.gz HAYXKIANJDECNG-CYBMUJFWSA-N 1 0 335.433 2.457 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000278388894 269228602 /nfs/dbraw/zinc/22/86/02/269228602.db2.gz FQCRDCYCRAYRML-LBPRGKRZSA-N 1 0 345.403 2.384 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)n1 ZINC000191787867 274052291 /nfs/dbraw/zinc/05/22/91/274052291.db2.gz UWNMNOSRVXOFPZ-LBPRGKRZSA-N 1 0 349.391 2.217 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000191782106 274052343 /nfs/dbraw/zinc/05/23/43/274052343.db2.gz VJIGJTSHWWFVOW-LRDDRELGSA-N 1 0 337.424 2.052 10 5 EEBERO CC[NH+](CC)[C@@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000288174780 275031791 /nfs/dbraw/zinc/03/17/91/275031791.db2.gz BBYMORRXRMZHAZ-GFCCVEGCSA-N 1 0 336.392 2.005 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000289486030 275120448 /nfs/dbraw/zinc/12/04/48/275120448.db2.gz CGVNSHQNMVIHRO-KRWDZBQOSA-N 1 0 337.395 2.466 10 5 EEBERO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293952676 293335852 /nfs/dbraw/zinc/33/58/52/293335852.db2.gz ZLNGXZNRDPJVQB-LBPRGKRZSA-N 1 0 334.420 2.475 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000302104267 294930481 /nfs/dbraw/zinc/93/04/81/294930481.db2.gz RGYPMEIMMCFUKU-AWEZNQCLSA-N 1 0 333.388 2.446 10 5 EEBERO C[NH2+]CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415653934 313162275 /nfs/dbraw/zinc/16/22/75/313162275.db2.gz IWMRGHLYALHHRO-UHFFFAOYSA-N 1 0 331.170 2.007 10 5 EEBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000415708088 313170353 /nfs/dbraw/zinc/17/03/53/313170353.db2.gz WUFMRUMIUMRWJM-VIFPVBQESA-N 1 0 343.181 2.231 10 5 EEBERO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000542920116 318147523 /nfs/dbraw/zinc/14/75/23/318147523.db2.gz FZSSUMZOGNBOAE-SNVBAGLBSA-N 1 0 343.330 2.410 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000559250008 318742264 /nfs/dbraw/zinc/74/22/64/318742264.db2.gz UFFDKQPSCPTDCN-LLVKDONJSA-N 1 0 343.811 2.071 10 5 EEBERO O=C(CC[N@H+]1CCCC[C@H]1C1(O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000566055112 319238994 /nfs/dbraw/zinc/23/89/94/319238994.db2.gz FFWBWLJXZJGGQT-HNNXBMFYSA-N 1 0 333.388 2.303 10 5 EEBERO COc1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000577872295 320281593 /nfs/dbraw/zinc/28/15/93/320281593.db2.gz CZQWEPLEVROEPR-INIZCTEOSA-N 1 0 341.367 2.302 10 5 EEBERO Cc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000582542495 324474364 /nfs/dbraw/zinc/47/43/64/324474364.db2.gz YDLQYTBOGFHNBV-MRXNPFEDSA-N 1 0 346.383 2.312 10 5 EEBERO O=[N+]([O-])c1ccc2ncnc(NCCCC[NH+]3CCOCC3)c2c1 ZINC000609850118 450105268 /nfs/dbraw/zinc/10/52/68/450105268.db2.gz XRGYRIVQPLMNCD-UHFFFAOYSA-N 1 0 331.376 2.062 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000047143225 462748072 /nfs/dbraw/zinc/74/80/72/462748072.db2.gz IADAVTXKGXVMBG-LLVKDONJSA-N 1 0 331.376 2.075 10 5 EEBERO Cn1cc([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000116320603 462752946 /nfs/dbraw/zinc/75/29/46/462752946.db2.gz ZLFNICWNDZLOGB-CYBMUJFWSA-N 1 0 343.387 2.146 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]([NH+]4CCCCCC4)C3)nn21 ZINC000091482484 462883802 /nfs/dbraw/zinc/88/38/02/462883802.db2.gz KUXFWNPOZZWMTL-AWEZNQCLSA-N 1 0 344.419 2.482 10 5 EEBERO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)cn2)CC1 ZINC000076804220 462911488 /nfs/dbraw/zinc/91/14/88/462911488.db2.gz QJVHDMRFVZEOCF-UHFFFAOYSA-N 1 0 342.403 2.139 10 5 EEBERO CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000123001791 463309270 /nfs/dbraw/zinc/30/92/70/463309270.db2.gz PJDPGZJLQDACFJ-WPRPVWTQSA-N 1 0 329.198 2.316 10 5 EEBERO C[NH+](C)CC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000151739680 463582790 /nfs/dbraw/zinc/58/27/90/463582790.db2.gz NXKBUAMCGWYQRG-UHFFFAOYSA-N 1 0 347.462 2.055 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000112077240 463689783 /nfs/dbraw/zinc/68/97/83/463689783.db2.gz RWRYBUFDEWLACS-OAHLLOKOSA-N 1 0 346.431 2.408 10 5 EEBERO NC(=O)c1coc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000187731594 464155671 /nfs/dbraw/zinc/15/56/71/464155671.db2.gz IEFUSBPGBWKGNH-HNNXBMFYSA-N 1 0 329.356 2.398 10 5 EEBERO CCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC1 ZINC000284410782 464182749 /nfs/dbraw/zinc/18/27/49/464182749.db2.gz NXTWBUMFBZHURG-UHFFFAOYSA-N 1 0 344.419 2.405 10 5 EEBERO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271453092 464315396 /nfs/dbraw/zinc/31/53/96/464315396.db2.gz WBPFKXBMCIUGOX-UHFFFAOYSA-N 1 0 345.403 2.052 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000264466573 464338168 /nfs/dbraw/zinc/33/81/68/464338168.db2.gz UERVHZHYLJLBQG-OAHLLOKOSA-N 1 0 347.415 2.451 10 5 EEBERO CC1(C)OCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295157102 464725938 /nfs/dbraw/zinc/72/59/38/464725938.db2.gz DVSOVXFQNCWHPY-CYBMUJFWSA-N 1 0 325.340 2.220 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000183317476 464849828 /nfs/dbraw/zinc/84/98/28/464849828.db2.gz SQWANRGWMQLDHX-UHFFFAOYSA-N 1 0 344.415 2.472 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177115280 464935073 /nfs/dbraw/zinc/93/50/73/464935073.db2.gz KVJQFCFCDPFLIY-WCQYABFASA-N 1 0 333.388 2.349 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@@H]2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000286522184 464946774 /nfs/dbraw/zinc/94/67/74/464946774.db2.gz BZFMZFSOIXMRRZ-CYBMUJFWSA-N 1 0 348.403 2.149 10 5 EEBERO CC[C@@H](C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000295917243 465004937 /nfs/dbraw/zinc/00/49/37/465004937.db2.gz JOJUEYSZHNVKSI-CYBMUJFWSA-N 1 0 344.419 2.311 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593919202 468433515 /nfs/dbraw/zinc/43/35/15/468433515.db2.gz NWNYLFLWJAKKHL-XKQJLSEDSA-N 1 0 347.415 2.404 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362448990 465748351 /nfs/dbraw/zinc/74/83/51/465748351.db2.gz NSROXMNXFIPFNQ-BBRMVZONSA-N 1 0 333.388 2.343 10 5 EEBERO [NH3+]CCN(Cc1ccc(-n2cncn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000348921530 465875207 /nfs/dbraw/zinc/87/52/07/465875207.db2.gz NVIAWLHZNPHDFK-UHFFFAOYSA-N 1 0 338.371 2.141 10 5 EEBERO CC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000300101723 465889900 /nfs/dbraw/zinc/88/99/00/465889900.db2.gz WMEPSFGXWLUJMM-WCBMZHEXSA-N 1 0 329.198 2.316 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301969163 466069501 /nfs/dbraw/zinc/06/95/01/466069501.db2.gz ZXGFMWPULPLQCQ-JSGCOSHPSA-N 1 0 333.388 2.444 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)ccc1[N+](=O)[O-] ZINC000338376947 466073677 /nfs/dbraw/zinc/07/36/77/466073677.db2.gz SGVLECWLANBKDW-CYBMUJFWSA-N 1 0 343.387 2.355 10 5 EEBERO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCCO1 ZINC000594041078 468469790 /nfs/dbraw/zinc/46/97/90/468469790.db2.gz CEFUHXFRQDXARL-RDJZCZTQSA-N 1 0 347.415 2.421 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000302757265 466180262 /nfs/dbraw/zinc/18/02/62/466180262.db2.gz IYLUXWXYQMPICF-SNVBAGLBSA-N 1 0 329.198 2.283 10 5 EEBERO COC(=O)c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000362197653 466616513 /nfs/dbraw/zinc/61/65/13/466616513.db2.gz HQHBNWFUJQNAPZ-ZDUSSCGKSA-N 1 0 333.388 2.364 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417717825 466916587 /nfs/dbraw/zinc/91/65/87/466916587.db2.gz LCOPJILGAITHAL-DOTOQJQBSA-N 1 0 346.431 2.311 10 5 EEBERO C[C@]12CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000428721062 467262041 /nfs/dbraw/zinc/26/20/41/467262041.db2.gz SKUANFXGCPKYGJ-CFVMTHIKSA-N 1 0 342.342 2.312 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000449357529 467632976 /nfs/dbraw/zinc/63/29/76/467632976.db2.gz AXCLKJLRFMUAND-IOTGCTKJSA-N 1 0 331.416 2.403 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449389402 467635555 /nfs/dbraw/zinc/63/55/55/467635555.db2.gz CMXNRFPVGIYTQA-RXBGNRNISA-N 1 0 333.432 2.435 10 5 EEBERO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000494643516 468076537 /nfs/dbraw/zinc/07/65/37/468076537.db2.gz RKUGETDTOMLQER-LBPRGKRZSA-N 1 0 335.385 2.226 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000590045956 468207081 /nfs/dbraw/zinc/20/70/81/468207081.db2.gz ZDCKLRSTMQPZBC-TVQRCGJNSA-N 1 0 343.305 2.390 10 5 EEBERO Cc1cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000600408940 468548800 /nfs/dbraw/zinc/54/88/00/468548800.db2.gz DHPWJFLNQPELEU-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO Cc1cc(NCC(C)(C)[C@]2(O)CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000591988975 468591472 /nfs/dbraw/zinc/59/14/72/468591472.db2.gz ZLZOZWUSDYVOLJ-SFHVURJKSA-N 1 0 345.399 2.463 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000597861368 468697248 /nfs/dbraw/zinc/69/72/48/468697248.db2.gz SUJQBLRARQCLEZ-SNVBAGLBSA-N 1 0 341.358 2.405 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963215 468732668 /nfs/dbraw/zinc/73/26/68/468732668.db2.gz HVMSHSWRTAYWLK-PEYYIBSZSA-N 1 0 326.368 2.390 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000571364323 468776404 /nfs/dbraw/zinc/77/64/04/468776404.db2.gz AYSZFPLLKMBLEG-UKRRQHHQSA-N 1 0 336.779 2.083 10 5 EEBERO Cc1ccccc1C1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000593040839 468848260 /nfs/dbraw/zinc/84/82/60/468848260.db2.gz WJPWFXUMNAGWFA-OAHLLOKOSA-N 1 0 330.388 2.130 10 5 EEBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601554908 468916006 /nfs/dbraw/zinc/91/60/06/468916006.db2.gz AWEGXALBRPOTJA-DOMZBBRYSA-N 1 0 335.429 2.287 10 5 EEBERO O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779458 469004049 /nfs/dbraw/zinc/00/40/49/469004049.db2.gz FFONUSSCLNECTK-STQMWFEESA-N 1 0 339.779 2.080 10 5 EEBERO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595781552 469006144 /nfs/dbraw/zinc/00/61/44/469006144.db2.gz MCWPJMKAZDGAEF-CHWSQXEVSA-N 1 0 339.779 2.080 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000595849195 469042217 /nfs/dbraw/zinc/04/22/17/469042217.db2.gz DPMSIQSGWLPWTH-CQSZACIVSA-N 1 0 335.404 2.340 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000610733155 469053576 /nfs/dbraw/zinc/05/35/76/469053576.db2.gz UQWSAFKPNQEXIL-QGZVFWFLSA-N 1 0 347.415 2.312 10 5 EEBERO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccsc2Br)c1 ZINC000598968334 469071025 /nfs/dbraw/zinc/07/10/25/469071025.db2.gz XLMLHFSSHBQQFB-UHFFFAOYSA-N 1 0 331.195 2.405 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000593669884 469086129 /nfs/dbraw/zinc/08/61/29/469086129.db2.gz CEXPGJUYJUGHRL-ZVZYQTTQSA-N 1 0 334.416 2.437 10 5 EEBERO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935396 469090370 /nfs/dbraw/zinc/09/03/70/469090370.db2.gz SBCCBMURSCEAPC-MRXNPFEDSA-N 1 0 331.416 2.376 10 5 EEBERO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595954022 469097420 /nfs/dbraw/zinc/09/74/20/469097420.db2.gz OSDGJIATAUIVJS-QGZVFWFLSA-N 1 0 338.367 2.109 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000599085505 469112157 /nfs/dbraw/zinc/11/21/57/469112157.db2.gz SIROZQFMZGKVAS-DJSGYFEHSA-N 1 0 333.388 2.469 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599086236 469112680 /nfs/dbraw/zinc/11/26/80/469112680.db2.gz ZKMWXQJLVKWBTH-WPGHFRTFSA-N 1 0 333.388 2.469 10 5 EEBERO C[C@@H]1C[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000563002648 469131740 /nfs/dbraw/zinc/13/17/40/469131740.db2.gz HNWJSFWRHQAAJX-FQLMCAECSA-N 1 0 338.404 2.128 10 5 EEBERO O=[N+]([O-])c1nn(Cc2cccc3c2CC[NH2+]C3)cc1Br ZINC000596071632 469140226 /nfs/dbraw/zinc/14/02/26/469140226.db2.gz PDJIKXIUFITKPX-UHFFFAOYSA-N 1 0 337.177 2.248 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000599159678 469142358 /nfs/dbraw/zinc/14/23/58/469142358.db2.gz FOESIJYLQAVSPE-UHFFFAOYSA-N 1 0 340.811 2.334 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](O)Cc1ccccc1)OCCO2 ZINC000588928026 469180724 /nfs/dbraw/zinc/18/07/24/469180724.db2.gz ZDIIQKHATGHCKN-HNNXBMFYSA-N 1 0 344.367 2.059 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000596362018 469251671 /nfs/dbraw/zinc/25/16/71/469251671.db2.gz YBYJKZUBSBPQPY-AWEZNQCLSA-N 1 0 345.447 2.827 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000611616406 469293851 /nfs/dbraw/zinc/29/38/51/469293851.db2.gz LVNDBNYCFYWLFP-INIZCTEOSA-N 1 0 347.463 2.213 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000617350384 469654428 /nfs/dbraw/zinc/65/44/28/469654428.db2.gz STTSAWNAYIVKIF-UHFFFAOYSA-N 1 0 339.311 2.436 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452796736 485481101 /nfs/dbraw/zinc/48/11/01/485481101.db2.gz LDWPLVZBXMCHFP-HNNXBMFYSA-N 1 0 349.431 2.097 10 5 EEBERO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189664580 528269241 /nfs/dbraw/zinc/26/92/41/528269241.db2.gz NUSXEUYGCYYYCO-LLVKDONJSA-N 1 0 329.422 2.141 10 5 EEBERO CC(C)(C)OC(=O)NCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775053345 577427988 /nfs/dbraw/zinc/42/79/88/577427988.db2.gz VWGFNCDNPKQSID-AWEZNQCLSA-N 1 0 339.392 2.133 10 5 EEBERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591526 577463601 /nfs/dbraw/zinc/46/36/01/577463601.db2.gz IUOPSDFXFQUQGF-DZGCQCFKSA-N 1 0 336.388 2.292 10 5 EEBERO COCC[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000755264230 577822641 /nfs/dbraw/zinc/82/26/41/577822641.db2.gz VXQVGUYTFIOTSU-WCRPCQDQSA-N 1 0 347.415 2.225 10 5 EEBERO Cc1c(Br)c(N2CC[C@@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000723709473 676698578 /nfs/dbraw/zinc/69/85/78/676698578.db2.gz PMQSOWUYZMAARF-SECBINFHSA-N 1 0 329.198 2.236 10 5 EEBERO C[NH+]1CCC(OCC(=O)OCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000923788096 681844533 /nfs/dbraw/zinc/84/45/33/681844533.db2.gz CIRYBAMVNGMISU-UHFFFAOYSA-N 1 0 342.779 2.402 10 5 EEBERO COC(=O)[C@H]1[C@H](C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1(F)F ZINC000894679814 683022002 /nfs/dbraw/zinc/02/20/02/683022002.db2.gz UHLVKLUJTBVIGG-QWHCGFSZSA-N 1 0 328.315 2.123 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000899567128 693792796 /nfs/dbraw/zinc/79/27/96/693792796.db2.gz OMXLZSYWNXDMJY-UHFFFAOYSA-N 1 0 347.415 2.451 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896137146 684855937 /nfs/dbraw/zinc/85/59/37/684855937.db2.gz BOYSBCJAFIGWMS-CQSZACIVSA-N 1 0 335.404 2.052 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C2CC2)n[nH]1 ZINC001266843180 1177528483 /nfs/dbraw/zinc/52/84/83/1177528483.db2.gz FXNZIBXFDJZTIL-UHFFFAOYSA-N 1 0 343.387 2.057 10 5 EEBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1cn[nH]c1 ZINC001267832885 1180604103 /nfs/dbraw/zinc/60/41/03/1180604103.db2.gz IMLCJZDHGUFVOP-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO Cc1ccc(F)cc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001267837881 1180611169 /nfs/dbraw/zinc/61/11/69/1180611169.db2.gz OPYDBSACIWFOSS-HZPDHXFCSA-N 1 0 349.406 2.318 10 5 EEBERO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1 ZINC001482218568 1184269913 /nfs/dbraw/zinc/26/99/13/1184269913.db2.gz RAUQAPGNPSFTLI-HZPDHXFCSA-N 1 0 331.416 2.179 10 5 EEBERO CC(C)c1ccc(C[NH2+]C[C@@]23COC(=O)N2CCOC3)cc1[N+](=O)[O-] ZINC000865768523 1198368074 /nfs/dbraw/zinc/36/80/74/1198368074.db2.gz KMFQLGXGSOZHES-QGZVFWFLSA-N 1 0 349.387 2.029 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000810056716 1199228528 /nfs/dbraw/zinc/22/85/28/1199228528.db2.gz CDHDKQDGZLCNMR-UHFFFAOYSA-N 1 0 336.797 2.299 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000880183503 1201415391 /nfs/dbraw/zinc/41/53/91/1201415391.db2.gz SWAAGTJTHVVEND-UXLLHSPISA-N 1 0 334.372 2.046 10 5 EEBERO O=C(C[NH2+][C@@H]1CCC[C@]12CCCO2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880506394 1201506923 /nfs/dbraw/zinc/50/69/23/1201506923.db2.gz JEJXWXQPEDWXER-AEFFLSMTSA-N 1 0 345.399 2.175 10 5 EEBERO C[C@H](NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000868121026 1201747723 /nfs/dbraw/zinc/74/77/23/1201747723.db2.gz CXMNERFBXQPQDX-BJJXKVORSA-N 1 0 332.404 2.391 10 5 EEBERO Cc1c(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000868535408 1201829630 /nfs/dbraw/zinc/82/96/30/1201829630.db2.gz RVEWXHJCVFDXEV-ZBFHGGJFSA-N 1 0 332.404 2.139 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886615452 1202534240 /nfs/dbraw/zinc/53/42/40/1202534240.db2.gz GSDWMXRCGXNXJL-FZMZJTMJSA-N 1 0 345.321 2.421 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1ccc2c(c1)OCO2 ZINC000887093303 1204199981 /nfs/dbraw/zinc/19/99/81/1204199981.db2.gz GXRWREADHKRPSC-UHFFFAOYSA-N 1 0 332.360 2.003 10 5 EEBERO CC1(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001274447833 1205042083 /nfs/dbraw/zinc/04/20/83/1205042083.db2.gz GWSZQUDFAJBVLD-IHWYPQMZSA-N 1 0 347.415 2.174 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000924374421 1205966016 /nfs/dbraw/zinc/96/60/16/1205966016.db2.gz WOSZVMOEJKKRNG-MRXNPFEDSA-N 1 0 347.415 2.105 10 5 EEBERO C[C@@H]1[C@@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000903300103 1240204273 /nfs/dbraw/zinc/20/42/73/1240204273.db2.gz GESOGZBCLMTGFN-UHOFOFEASA-N 1 0 329.404 2.100 10 5 EEBERO CO[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000903314088 1240232049 /nfs/dbraw/zinc/23/20/49/1240232049.db2.gz GMHDZRWNVCSDLS-YDHLFZDLSA-N 1 0 340.449 2.387 10 5 EEBERO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ncnn21 ZINC000850499612 1277247270 /nfs/dbraw/zinc/24/72/70/1277247270.db2.gz SRZRPAVOXLHFDV-BLLLJJGKSA-N 1 0 342.403 2.451 10 5 EEBERO O=C(C[NH2+][C@H]1C[C@@H](O)C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852585002 1292138674 /nfs/dbraw/zinc/13/86/74/1292138674.db2.gz WECFOBPYIJPGDU-QWHCGFSZSA-N 1 0 339.779 2.080 10 5 EEBERO CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001276900380 1300176229 /nfs/dbraw/zinc/17/62/29/1300176229.db2.gz IEMZUPYETISGMU-AHCXZYCDSA-N 1 0 337.464 2.402 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001119633570 1309143660 /nfs/dbraw/zinc/14/36/60/1309143660.db2.gz QRGMALCMIXRSIT-UHFFFAOYSA-N 1 0 336.436 2.373 10 5 EEBERO Cc1cc(OCC(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001149204133 1315931145 /nfs/dbraw/zinc/93/11/45/1315931145.db2.gz FZBMGOTWKRWTNL-JKSUJKDBSA-N 1 0 347.415 2.271 10 5 EEBERO COc1ccc(C[N@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)cc1 ZINC001278907794 1318630753 /nfs/dbraw/zinc/63/07/53/1318630753.db2.gz IZKLZEUUUONTRN-IAGOWNOFSA-N 1 0 349.431 2.029 10 5 EEBERO CCc1ncoc1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001265920857 1323487495 /nfs/dbraw/zinc/48/74/95/1323487495.db2.gz AMPPUHOXQXAAFT-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO O=C(Cc1ccc[nH]1)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001316622613 1325815102 /nfs/dbraw/zinc/81/51/02/1325815102.db2.gz CCFNCTKOPYRLMW-AKAXFMLLSA-N 1 0 342.399 2.150 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[NH+]2CCC1CC2 ZINC001304523684 1331387861 /nfs/dbraw/zinc/38/78/61/1331387861.db2.gz BKTCCWAYUWSXSX-ZDUSSCGKSA-N 1 0 337.807 2.249 10 5 EEBERO CCn1cc(C(=O)NCC[N@H+](CC)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001317478157 1331628431 /nfs/dbraw/zinc/62/84/31/1331628431.db2.gz VVODMLGSGAUGBI-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CCc1ccccc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001318631775 1332570780 /nfs/dbraw/zinc/57/07/80/1332570780.db2.gz FSLJQAJGULOLPS-IAGOWNOFSA-N 1 0 345.443 2.433 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]cc1C ZINC001320922792 1332980282 /nfs/dbraw/zinc/98/02/82/1332980282.db2.gz YAHFIQFRSWRFLB-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO Cc1nc[nH]c1C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001327299597 1334262473 /nfs/dbraw/zinc/26/24/73/1334262473.db2.gz PACOWFGTTRIRJN-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO C[C@]12COC[C@H]1C[N@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C2 ZINC001333721212 1336114366 /nfs/dbraw/zinc/11/43/66/1336114366.db2.gz FKRUJKPNBQMGRA-PBHICJAKSA-N 1 0 328.372 2.384 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001334249595 1336227907 /nfs/dbraw/zinc/22/79/07/1336227907.db2.gz BJTSDHNQJYYIMD-IRXDYDNUSA-N 1 0 332.404 2.050 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001338367313 1336849320 /nfs/dbraw/zinc/84/93/20/1336849320.db2.gz VEUVFILVDZDZNW-UHFFFAOYSA-N 1 0 338.327 2.470 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001347148567 1337497941 /nfs/dbraw/zinc/49/79/41/1337497941.db2.gz OIMCSVRCBRXWCA-AWEZNQCLSA-N 1 0 346.431 2.488 10 5 EEBERO C[C@H]1CCC[N@@H+]1CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001612054970 1352305349 /nfs/dbraw/zinc/30/53/49/1352305349.db2.gz MJXQZPLQQGEOHV-NSHDSACASA-N 1 0 345.359 2.369 10 5 EEBERO Cc1n[nH]cc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001620480798 1352359670 /nfs/dbraw/zinc/35/96/70/1352359670.db2.gz WEXWBIPYCAYGBQ-UHFFFAOYSA-N 1 0 331.376 2.395 10 5 EEBERO Cc1cnc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC001559306146 1342500737 /nfs/dbraw/zinc/50/07/37/1342500737.db2.gz JUTUZEQZMJDORS-OAHLLOKOSA-N 1 0 330.363 2.458 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnc(N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001583719073 1344921569 /nfs/dbraw/zinc/92/15/69/1344921569.db2.gz ZPQMKIKMHFPVLH-UHFFFAOYSA-N 1 0 349.435 2.347 10 5 EEBERO COC(=O)c1cc(C(=O)Nc2ccc3c[nH+]cn3c2)cc([N+](=O)[O-])c1 ZINC001598076325 1349935344 /nfs/dbraw/zinc/93/53/44/1349935344.db2.gz UHBHTNXVIWNVKF-UHFFFAOYSA-N 1 0 340.295 2.281 10 5 EEBERO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001621424835 1352367739 /nfs/dbraw/zinc/36/77/39/1352367739.db2.gz GPJPJZKUIDLZSP-CUOOIUKUSA-N 1 0 331.372 2.428 10 5 EEBERO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001622828133 1352389484 /nfs/dbraw/zinc/38/94/84/1352389484.db2.gz ZFMQXUIVROULOL-PSASIEDQSA-N 1 0 338.795 2.185 10 5 EEBERO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@]23CCCO3)c([N+](=O)[O-])c1 ZINC001644298173 1352760632 /nfs/dbraw/zinc/76/06/32/1352760632.db2.gz YKMYRQKFJDGNTC-WBVHZDCISA-N 1 0 349.387 2.233 10 5 EEBERO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001648138899 1353418118 /nfs/dbraw/zinc/41/81/18/1353418118.db2.gz CIQZMJMTLMSGIF-BXUZGUMPSA-N 1 0 329.360 2.243 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@H]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC001648637824 1353436887 /nfs/dbraw/zinc/43/68/87/1353436887.db2.gz GHHDXQUJLZQWNV-HNNXBMFYSA-N 1 0 333.388 2.133 10 5 EEBERO CC(=O)N1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001652352712 1354089366 /nfs/dbraw/zinc/08/93/66/1354089366.db2.gz SSMTYJCKQSMYLL-LBPRGKRZSA-N 1 0 332.360 2.084 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC001653035467 1354111139 /nfs/dbraw/zinc/11/11/39/1354111139.db2.gz QOGSPABXDFEIRN-AAEUAGOBSA-N 1 0 349.353 2.409 10 5 EEBERO CCOc1cc(C[NH2+][C@](C)(COC)CC(=O)OC)ccc1[N+](=O)[O-] ZINC001653650080 1354129389 /nfs/dbraw/zinc/12/93/89/1354129389.db2.gz NDUWONMUGAZVOG-INIZCTEOSA-N 1 0 340.376 2.051 10 5 EEBERO C[N@H+](CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)Cc1ccccc1 ZINC001655024710 1354163050 /nfs/dbraw/zinc/16/30/50/1354163050.db2.gz MNQXVSSETGKZMP-UHFFFAOYSA-N 1 0 328.372 2.238 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CCO)C1CCCC1 ZINC001660347211 1354445417 /nfs/dbraw/zinc/44/54/17/1354445417.db2.gz KTDSLZJAFULFTA-OAHLLOKOSA-N 1 0 335.404 2.373 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cnccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663649171 1355011018 /nfs/dbraw/zinc/01/10/18/1355011018.db2.gz KOGFLHXYXDARRY-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc[nH]1 ZINC001668648288 1355979446 /nfs/dbraw/zinc/97/94/46/1355979446.db2.gz NIWCVCKVEZTLAZ-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CC(C)CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001671921892 1356439456 /nfs/dbraw/zinc/43/94/56/1356439456.db2.gz RQTWJTRKQKFASD-UHFFFAOYSA-N 1 0 349.431 2.396 10 5 EEBERO CCn1ccc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001699537194 1405375675 /nfs/dbraw/zinc/37/56/75/1405375675.db2.gz CPCPQYMAMUEVEO-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO c1sc(-c2ccc3c(c2)OCO3)nc1C[N+]12CCN(CC1)CC2 ZINC000102416560 717145867 /nfs/dbraw/zinc/14/58/67/717145867.db2.gz FWBJJQBOXIZBOS-UHFFFAOYSA-N 1 0 330.433 2.185 10 5 EEBERO CC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C[C@@H]1C ZINC000912027645 787896831 /nfs/dbraw/zinc/89/68/31/787896831.db2.gz TWANCPPREHHWQT-BETUJISGSA-N 1 0 334.420 2.216 10 5 EEBERO CNc1nccc(C(=O)N2[C@H](C)CCC[C@@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000912650174 788282163 /nfs/dbraw/zinc/28/21/63/788282163.db2.gz JCCGDPAKRAMHNL-CHWSQXEVSA-N 1 0 349.435 2.366 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C[C@@]2(C)C1 ZINC000913288659 788765593 /nfs/dbraw/zinc/76/55/93/788765593.db2.gz GNPMLVPXQSZSSF-HDICACEKSA-N 1 0 342.399 2.490 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844433989 789120403 /nfs/dbraw/zinc/12/04/03/789120403.db2.gz PGTZHZKYGLZPQF-ZFWWWQNUSA-N 1 0 342.342 2.456 10 5 EEBERO [NH3+][C@H]1CCc2ccccc2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923392941 789506749 /nfs/dbraw/zinc/50/67/49/789506749.db2.gz WCGZHVBOYANFHW-MAUKXSAKSA-N 1 0 327.384 2.408 10 5 EEBERO C[C@@H](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[NH+](C)C ZINC001146890593 791564277 /nfs/dbraw/zinc/56/42/77/791564277.db2.gz KTEZZFWXYZWCCZ-ZETCQYMHSA-N 1 0 332.763 2.040 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC001148280880 792324791 /nfs/dbraw/zinc/32/47/91/792324791.db2.gz PUZWXAQQLRNHBX-UHFFFAOYSA-N 1 0 348.359 2.122 10 5 EEBERO COC(=O)[C@]12C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000369707661 797073422 /nfs/dbraw/zinc/07/34/22/797073422.db2.gz VJDLNVSCPNSTPV-HACGYAERSA-N 1 0 334.372 2.167 10 5 EEBERO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC001175522588 798144252 /nfs/dbraw/zinc/14/42/52/798144252.db2.gz JKQWIVXDRPLFKU-KRWDZBQOSA-N 1 0 349.387 2.163 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnns1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479838293 1099123107 /nfs/dbraw/zinc/12/31/07/1099123107.db2.gz BTELQQHRDXSICF-UHFFFAOYSA-N 1 0 349.416 2.088 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(F)cc1 ZINC001464324854 1110391713 /nfs/dbraw/zinc/39/17/13/1110391713.db2.gz BOBGYZMGBLBXBO-INIZCTEOSA-N 1 0 346.362 2.349 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1F ZINC001465505403 1110418952 /nfs/dbraw/zinc/41/89/52/1110418952.db2.gz WESDIQYUKOWSRI-UHFFFAOYSA-N 1 0 341.730 2.424 10 5 EEBERO C[C@@]12CSC[C@@H]1C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC001473861617 1110582721 /nfs/dbraw/zinc/58/27/21/1110582721.db2.gz DZAQWWAYAOEGAQ-HEHGZKQESA-N 1 0 338.429 2.019 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(CC(N)=O)CCCCC2)c1 ZINC001473868721 1110583321 /nfs/dbraw/zinc/58/33/21/1110583321.db2.gz GUQAOGLBJSTKTD-UHFFFAOYSA-N 1 0 349.387 2.049 10 5 EEBERO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001542937424 1124118239 /nfs/dbraw/zinc/11/82/39/1124118239.db2.gz QAZROSHYESLZGN-UHFFFAOYSA-N 1 0 328.372 2.169 10 5 EEBERO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000066835983 215084516 /nfs/dbraw/zinc/08/45/16/215084516.db2.gz KYHBGUWYRUBMRV-CYBMUJFWSA-N 1 0 349.387 2.117 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000037040247 213131931 /nfs/dbraw/zinc/13/19/31/213131931.db2.gz XEHVBOZOXGEEOL-MRVPVSSYSA-N 1 0 328.166 2.295 10 5 EEBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000191373424 239074232 /nfs/dbraw/zinc/07/42/32/239074232.db2.gz KZPNGAZEZIGZIW-ZDUSSCGKSA-N 1 0 336.392 2.006 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451903116 243303036 /nfs/dbraw/zinc/30/30/36/243303036.db2.gz PFSJTMWTJSSSST-KRWDZBQOSA-N 1 0 333.388 2.426 10 5 EEBERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000079427354 217223803 /nfs/dbraw/zinc/22/38/03/217223803.db2.gz XWSPZTORCNWEAM-CYBMUJFWSA-N 1 0 348.403 2.312 10 5 EEBERO COC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181675036 533088519 /nfs/dbraw/zinc/08/85/19/533088519.db2.gz NOSOYAADEVMPHP-AEFFLSMTSA-N 1 0 346.383 2.312 10 5 EEBERO CC[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000270861346 256180471 /nfs/dbraw/zinc/18/04/71/256180471.db2.gz JXFJVQMSLLCHPV-DZGCQCFKSA-N 1 0 343.374 2.290 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000193246543 291991690 /nfs/dbraw/zinc/99/16/90/291991690.db2.gz USVWXNZRVWOVJN-SNVBAGLBSA-N 1 0 347.824 2.059 10 5 EEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248746684 160359658 /nfs/dbraw/zinc/35/96/58/160359658.db2.gz FNIRSCJSEWVHKC-WBVHZDCISA-N 1 0 331.416 2.470 10 5 EEBERO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105862783 159310266 /nfs/dbraw/zinc/31/02/66/159310266.db2.gz WIFJTLPWEVHXBL-CYBMUJFWSA-N 1 0 339.411 2.259 10 5 EEBERO CCOCC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000106112433 159312517 /nfs/dbraw/zinc/31/25/17/159312517.db2.gz ZYQIKOMEDORWKO-AWEZNQCLSA-N 1 0 337.420 2.146 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186556162 160075616 /nfs/dbraw/zinc/07/56/16/160075616.db2.gz RNUYSDBHGYQPPA-ZDUSSCGKSA-N 1 0 333.388 2.107 10 5 EEBERO CC(C)(C(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccccc1[N+](=O)[O-] ZINC000343203555 161112801 /nfs/dbraw/zinc/11/28/01/161112801.db2.gz HDJTYABUWCNQLR-NSHDSACASA-N 1 0 328.372 2.269 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000345637033 161318141 /nfs/dbraw/zinc/31/81/41/161318141.db2.gz UTAOFELIPLDAEN-CYBMUJFWSA-N 1 0 340.383 2.452 10 5 EEBERO CCn1nccc1CN(C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000355478515 163203974 /nfs/dbraw/zinc/20/39/74/163203974.db2.gz XBBRFWNBRIRGPN-ALCCZGGFSA-N 1 0 330.388 2.319 10 5 EEBERO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000358969495 164026091 /nfs/dbraw/zinc/02/60/91/164026091.db2.gz CRGBMRDMIBTFFI-SECBINFHSA-N 1 0 343.330 2.409 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000360136122 164240869 /nfs/dbraw/zinc/24/08/69/164240869.db2.gz SSWQYBGJWWPTLX-OAHLLOKOSA-N 1 0 339.417 2.231 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000365017774 165352446 /nfs/dbraw/zinc/35/24/46/165352446.db2.gz XMNWAVLJLXXIBT-HNNXBMFYSA-N 1 0 348.447 2.060 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C ZINC000122983519 222194637 /nfs/dbraw/zinc/19/46/37/222194637.db2.gz YKSXARXKUJGAQL-VXGBXAGGSA-N 1 0 339.367 2.054 10 5 EEBERO COc1cccc(N2CCN(c3cc[nH+]cc3OC)CC2)c1[N+](=O)[O-] ZINC000360259016 278016485 /nfs/dbraw/zinc/01/64/85/278016485.db2.gz SNBVXZLHXFVAPB-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000293205616 293150696 /nfs/dbraw/zinc/15/06/96/293150696.db2.gz IZOMFLFCLHXLGW-FUHWJXTLSA-N 1 0 349.431 2.289 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295143386 293626082 /nfs/dbraw/zinc/62/60/82/293626082.db2.gz CLVVEEOHRCNBJZ-HZMBPMFUSA-N 1 0 337.376 2.088 10 5 EEBERO CCn1ccnc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000296317044 293944926 /nfs/dbraw/zinc/94/49/26/293944926.db2.gz GRGIBNRPPTWNFT-GFCCVEGCSA-N 1 0 331.376 2.318 10 5 EEBERO C[C@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415702875 313169084 /nfs/dbraw/zinc/16/90/84/313169084.db2.gz QDSWFBKCPKMQSB-QMMMGPOBSA-N 1 0 343.181 2.183 10 5 EEBERO C[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415705680 313169826 /nfs/dbraw/zinc/16/98/26/313169826.db2.gz UBPCNWZTBDCVAR-NKWVEPMBSA-N 1 0 331.170 2.215 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420391249 313950221 /nfs/dbraw/zinc/95/02/21/313950221.db2.gz YWDJIYLQXLSWDX-KDOFPFPSSA-N 1 0 346.431 2.306 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(C(F)(F)F)CC1 ZINC000563618148 319030778 /nfs/dbraw/zinc/03/07/78/319030778.db2.gz MUSHTZOGXKOQDV-JTQLQIEISA-N 1 0 334.294 2.267 10 5 EEBERO Cc1c(CNC(=O)Cn2cnc3c2CCCC3)cccc1[N+](=O)[O-] ZINC000566831538 319324156 /nfs/dbraw/zinc/32/41/56/319324156.db2.gz MUCPIXAMDMJFKR-UHFFFAOYSA-N 1 0 328.372 2.295 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CCC[N@H+]1CCCO)CCCC2 ZINC000580186491 324011697 /nfs/dbraw/zinc/01/16/97/324011697.db2.gz WOKHHEXSNKGNTB-CQSZACIVSA-N 1 0 334.420 2.127 10 5 EEBERO CSCCCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580315649 324038838 /nfs/dbraw/zinc/03/88/38/324038838.db2.gz GQXOOTSDWNGFMW-UHFFFAOYSA-N 1 0 332.447 2.101 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCC1CCOCC1 ZINC000581066439 324178818 /nfs/dbraw/zinc/17/88/18/324178818.db2.gz BDMSFUNDWRIVJH-OAHLLOKOSA-N 1 0 338.404 2.131 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125863176 463586579 /nfs/dbraw/zinc/58/65/79/463586579.db2.gz KSNWHZAWBNVJJP-WCQYABFASA-N 1 0 341.433 2.283 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3ccccn32)n1 ZINC000351498444 465187561 /nfs/dbraw/zinc/18/75/61/465187561.db2.gz ZOUHBMJBRYCSOC-CHWSQXEVSA-N 1 0 341.375 2.108 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000590659190 468298425 /nfs/dbraw/zinc/29/84/25/468298425.db2.gz YVIWFSMSTPNJJD-RDJZCZTQSA-N 1 0 348.399 2.268 10 5 EEBERO Cc1cccnc1CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590658533 468297189 /nfs/dbraw/zinc/29/71/89/468297189.db2.gz YIYADHSRKRQOIN-UHFFFAOYSA-N 1 0 329.356 2.402 10 5 EEBERO [NH3+][C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000050244261 462993702 /nfs/dbraw/zinc/99/37/02/462993702.db2.gz YSCZLPXUGVOVLK-VIFPVBQESA-N 1 0 337.177 2.443 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000137020690 463272558 /nfs/dbraw/zinc/27/25/58/463272558.db2.gz QIJBHLGBRZQLNE-YOEHRIQHSA-N 1 0 342.399 2.457 10 5 EEBERO O=[N+]([O-])c1ccc(Nc2cnn(C[C@H](O)C[NH+]3CCCC3)c2)c(F)c1 ZINC000069581166 463281359 /nfs/dbraw/zinc/28/13/59/463281359.db2.gz MZWNJKRGESWDES-CQSZACIVSA-N 1 0 349.366 2.131 10 5 EEBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2c(c1)CCC(=O)N2 ZINC000097033114 463306353 /nfs/dbraw/zinc/30/63/53/463306353.db2.gz DDGXUNZGYOROSW-NSHDSACASA-N 1 0 329.360 2.027 10 5 EEBERO CC[C@H](NC(=O)CCN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177808131 463796680 /nfs/dbraw/zinc/79/66/80/463796680.db2.gz ZUPHLWKRKQNXIU-KRWDZBQOSA-N 1 0 348.447 2.190 10 5 EEBERO CC[NH+]1CCC(CCNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000287360065 463879538 /nfs/dbraw/zinc/87/95/38/463879538.db2.gz PWFFZZAAQVQSLI-UHFFFAOYSA-N 1 0 336.392 2.310 10 5 EEBERO COC(=O)c1cc(C)nc(NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000287853709 464020322 /nfs/dbraw/zinc/02/03/22/464020322.db2.gz LSEXHVZWBXYAMS-UHFFFAOYSA-N 1 0 336.392 2.371 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175543852 464571556 /nfs/dbraw/zinc/57/15/56/464571556.db2.gz XUWYQUFUMZBGQO-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO COCCN1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000182714229 464714350 /nfs/dbraw/zinc/71/43/50/464714350.db2.gz RGEZKKZTNXGKIT-OKFGHLOFSA-N 1 0 347.415 2.177 10 5 EEBERO COC(=O)[C@H](C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176222347 464724694 /nfs/dbraw/zinc/72/46/94/464724694.db2.gz WBFBMWJLNYQCIK-CQSZACIVSA-N 1 0 346.387 2.103 10 5 EEBERO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000177146390 464943668 /nfs/dbraw/zinc/94/36/68/464943668.db2.gz HYVDMAKQAZQCRZ-MNOVXSKESA-N 1 0 328.372 2.431 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000252443700 464956495 /nfs/dbraw/zinc/95/64/95/464956495.db2.gz NVNXHVOZHUHUJR-ZBFHGGJFSA-N 1 0 346.431 2.400 10 5 EEBERO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000371232614 465658926 /nfs/dbraw/zinc/65/89/26/465658926.db2.gz TWLJXVWOJFJBBJ-JSGCOSHPSA-N 1 0 332.404 2.090 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1 ZINC000362685377 465938520 /nfs/dbraw/zinc/93/85/20/465938520.db2.gz RZCLARIVQXYHOZ-CQSZACIVSA-N 1 0 334.420 2.296 10 5 EEBERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301911643 466058832 /nfs/dbraw/zinc/05/88/32/466058832.db2.gz BTAIDFYPNUUDIR-GFCCVEGCSA-N 1 0 330.392 2.091 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c(F)c1 ZINC000338478363 466158341 /nfs/dbraw/zinc/15/83/41/466158341.db2.gz WCHUOZJODLFAFW-CZUORRHYSA-N 1 0 338.379 2.391 10 5 EEBERO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000372268601 466260277 /nfs/dbraw/zinc/26/02/77/466260277.db2.gz ZVUBGOPQPXVQBS-HOCLYGCPSA-N 1 0 326.356 2.165 10 5 EEBERO Cc1ccc(OC[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000569450124 468492097 /nfs/dbraw/zinc/49/20/97/468492097.db2.gz URXRDYCBNIWKTH-INIZCTEOSA-N 1 0 330.384 2.475 10 5 EEBERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000372931703 466640798 /nfs/dbraw/zinc/64/07/98/466640798.db2.gz WMPIMKLAOAHAPG-HUUCEWRRSA-N 1 0 336.388 2.446 10 5 EEBERO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423047682 466689956 /nfs/dbraw/zinc/68/99/56/466689956.db2.gz VIYJTMJTYDJURW-HOTGVXAUSA-N 1 0 339.823 2.147 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000418117914 467049917 /nfs/dbraw/zinc/04/99/17/467049917.db2.gz SECKYRMOPKJHBE-VXGBXAGGSA-N 1 0 327.812 2.135 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)C1CC1 ZINC000453269349 467473888 /nfs/dbraw/zinc/47/38/88/467473888.db2.gz RDDKRPXMUYOWOC-ZWKOTPCHSA-N 1 0 347.459 2.352 10 5 EEBERO CCN(CCC[NH+](C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487427628 468037937 /nfs/dbraw/zinc/03/79/37/468037937.db2.gz GWSRXEARVSIKMD-UHFFFAOYSA-N 1 0 329.347 2.216 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000597668414 468632120 /nfs/dbraw/zinc/63/21/20/468632120.db2.gz WIAODKJUIXDVDG-UHFFFAOYSA-N 1 0 335.379 2.221 10 5 EEBERO Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000594603947 468632520 /nfs/dbraw/zinc/63/25/20/468632520.db2.gz PLHXNEYFFBEWKI-WDEREUQCSA-N 1 0 345.321 2.177 10 5 EEBERO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2CC2)cn1 ZINC000592145968 468637380 /nfs/dbraw/zinc/63/73/80/468637380.db2.gz HKOBRSPKQYVEFB-UHFFFAOYSA-N 1 0 342.399 2.372 10 5 EEBERO CC(C)(NC(=O)[C@@H]1CCc2nc[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000597688312 468638601 /nfs/dbraw/zinc/63/86/01/468638601.db2.gz KWBJHVGLLOVCFD-LLVKDONJSA-N 1 0 328.372 2.474 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476524 468706466 /nfs/dbraw/zinc/70/64/66/468706466.db2.gz XKYLTWSXTSVNLO-KEYYUXOJSA-N 1 0 346.431 2.386 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000601110467 468744256 /nfs/dbraw/zinc/74/42/56/468744256.db2.gz GMKAKKSZQYMHLS-SECBINFHSA-N 1 0 333.314 2.022 10 5 EEBERO CCN(C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598042722 468747478 /nfs/dbraw/zinc/74/74/78/468747478.db2.gz XFXZOLXNYOKUHR-CQSZACIVSA-N 1 0 335.404 2.468 10 5 EEBERO CCC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595080697 468753934 /nfs/dbraw/zinc/75/39/34/468753934.db2.gz YQEOHPLOROYIFP-DLBZAZTESA-N 1 0 338.404 2.194 10 5 EEBERO CC[N@@H+]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[C@H](C)C1 ZINC000601173653 468770677 /nfs/dbraw/zinc/77/06/77/468770677.db2.gz GEIACTWYVHTYTJ-SECBINFHSA-N 1 0 335.330 2.268 10 5 EEBERO [NH3+][C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000595220748 468787888 /nfs/dbraw/zinc/78/78/88/468787888.db2.gz JNLRBSOZRDQPCT-QZTJIDSGSA-N 1 0 339.395 2.481 10 5 EEBERO CC[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000598535826 468905203 /nfs/dbraw/zinc/90/52/03/468905203.db2.gz IVPRQWWVERIXCA-UONOGXRCSA-N 1 0 334.420 2.386 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000598540816 468907362 /nfs/dbraw/zinc/90/73/62/468907362.db2.gz QPUKILLLHUDLBU-OAHLLOKOSA-N 1 0 335.404 2.086 10 5 EEBERO Cc1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000598542651 468907881 /nfs/dbraw/zinc/90/78/81/468907881.db2.gz ZRXRCTZSJDRHOG-INIZCTEOSA-N 1 0 335.404 2.086 10 5 EEBERO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000601554855 468915904 /nfs/dbraw/zinc/91/59/04/468915904.db2.gz WEBKVONIXDMHQI-JSGCOSHPSA-N 1 0 333.388 2.126 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000595630919 468930972 /nfs/dbraw/zinc/93/09/72/468930972.db2.gz CXAIGNAIXSDRIO-UHOFOFEASA-N 1 0 338.404 2.259 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595951341 469095580 /nfs/dbraw/zinc/09/55/80/469095580.db2.gz QELZYXVJPVTXFS-GFCCVEGCSA-N 1 0 344.209 2.461 10 5 EEBERO CN(CCCN1CC[NH+](C)CC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599043414 469096864 /nfs/dbraw/zinc/09/68/64/469096864.db2.gz LCMXGEODPLRFSK-UHFFFAOYSA-N 1 0 343.431 2.217 10 5 EEBERO NC(=O)N1CCC[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599084337 469112128 /nfs/dbraw/zinc/11/21/28/469112128.db2.gz AUJYFOQDPSLGAX-NSHDSACASA-N 1 0 329.360 2.346 10 5 EEBERO O=C(CC[N@@H+]1CCO[C@@H](C(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000601971037 469120242 /nfs/dbraw/zinc/12/02/42/469120242.db2.gz ACUOTOFEBMMSBB-CYBMUJFWSA-N 1 0 343.330 2.279 10 5 EEBERO NC(=O)c1ccc(C[NH+]2CCC(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000611259036 469211702 /nfs/dbraw/zinc/21/17/02/469211702.db2.gz UDLXDWHJGGJNHF-UHFFFAOYSA-N 1 0 340.383 2.468 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000599605684 469306492 /nfs/dbraw/zinc/30/64/92/469306492.db2.gz YTCSACWTSIRWAA-MRXNPFEDSA-N 1 0 348.403 2.217 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599829533 469386179 /nfs/dbraw/zinc/38/61/79/469386179.db2.gz HJWWXGDFUUSFDZ-NSHDSACASA-N 1 0 329.360 2.359 10 5 EEBERO O=C(CC[NH+]1CC(C2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000619706051 469667182 /nfs/dbraw/zinc/66/71/82/469667182.db2.gz UAFUAWRWBMHFPD-UHFFFAOYSA-N 1 0 333.388 2.282 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416368436 528268518 /nfs/dbraw/zinc/26/85/18/528268518.db2.gz HXNNXIGJPKFNMJ-CYBMUJFWSA-N 1 0 343.449 2.220 10 5 EEBERO CCCc1n[nH]c(C(=O)NCCC2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000174125593 528546662 /nfs/dbraw/zinc/54/66/62/528546662.db2.gz PHVSMCMOMVMWCN-UHFFFAOYSA-N 1 0 337.424 2.122 10 5 EEBERO CC(C)[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000129332979 529002117 /nfs/dbraw/zinc/00/21/17/529002117.db2.gz GQXYMEWJHLNYAI-UHFFFAOYSA-N 1 0 334.376 2.210 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177714226 529071572 /nfs/dbraw/zinc/07/15/72/529071572.db2.gz KOYSAFBCYYQKTM-XJKSGUPXSA-N 1 0 334.420 2.338 10 5 EEBERO CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276953 577456544 /nfs/dbraw/zinc/45/65/44/577456544.db2.gz MIVXJMODZMMLMV-HKUYNNGSSA-N 1 0 343.427 2.391 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000756888198 577852531 /nfs/dbraw/zinc/85/25/31/577852531.db2.gz OCRZXTSHMVEACI-SWLSCSKDSA-N 1 0 331.376 2.106 10 5 EEBERO Cc1nc(C(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001690985412 1176424382 /nfs/dbraw/zinc/42/43/82/1176424382.db2.gz DXTHYIKOLWZDKH-UHFFFAOYSA-N 1 0 332.360 2.061 10 5 EEBERO O=C(NC1(C[NH2+]Cc2cccc(F)c2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269545647 1184370746 /nfs/dbraw/zinc/37/07/46/1184370746.db2.gz XTAPNDAKKAFDRG-HUUCEWRRSA-N 1 0 335.379 2.010 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013650 1186957186 /nfs/dbraw/zinc/95/71/86/1186957186.db2.gz PBGRLJMSEFLTMU-IAGOWNOFSA-N 1 0 331.416 2.119 10 5 EEBERO CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484567434 1191420870 /nfs/dbraw/zinc/42/08/70/1191420870.db2.gz JZONLCOZVWAPHQ-KLHDSHLOSA-N 1 0 325.453 2.352 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccon1 ZINC001485248197 1191703028 /nfs/dbraw/zinc/70/30/28/1191703028.db2.gz WJRIZECCDDFPRP-UHFFFAOYSA-N 1 0 346.387 2.471 10 5 EEBERO C[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])CN1CCOCC1 ZINC000872038191 1198033232 /nfs/dbraw/zinc/03/32/32/1198033232.db2.gz LGMUXOUOUOHPKL-CHWSQXEVSA-N 1 0 325.384 2.353 10 5 EEBERO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850042 1200957248 /nfs/dbraw/zinc/95/72/48/1200957248.db2.gz SYJAXQMGTDANKY-KDOFPFPSSA-N 1 0 345.399 2.201 10 5 EEBERO CC[N@H+]1[C@H](C)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000880609071 1201540020 /nfs/dbraw/zinc/54/00/20/1201540020.db2.gz PLPPPUAOCGFIDB-PHIMTYICSA-N 1 0 331.376 2.026 10 5 EEBERO Cc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000868677708 1201857585 /nfs/dbraw/zinc/85/75/85/1201857585.db2.gz RREBTQUVURPYBD-GOOCMWNKSA-N 1 0 332.404 2.328 10 5 EEBERO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000930732587 1206578751 /nfs/dbraw/zinc/57/87/51/1206578751.db2.gz NSGADIHWNNWZDM-OAHLLOKOSA-N 1 0 348.403 2.278 10 5 EEBERO NC(=O)c1coc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000779068677 1208489536 /nfs/dbraw/zinc/48/95/36/1208489536.db2.gz ASTGGSOLPMCEOY-UHFFFAOYSA-N 1 0 344.371 2.045 10 5 EEBERO Cc1cccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000096995673 1213931145 /nfs/dbraw/zinc/93/11/45/1213931145.db2.gz HDLSGWWPLBYPAG-AWEZNQCLSA-N 1 0 336.388 2.417 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000903577702 1241007710 /nfs/dbraw/zinc/00/77/10/1241007710.db2.gz RPIDBHAPDJTNPS-NSHDSACASA-N 1 0 347.824 2.011 10 5 EEBERO CC1(C)C[NH2+]CC[C@H]1NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766595 1293911538 /nfs/dbraw/zinc/91/15/38/1293911538.db2.gz PQVRJLRNKQNYJQ-GFCCVEGCSA-N 1 0 343.330 2.071 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccccn1 ZINC001276991410 1300709950 /nfs/dbraw/zinc/70/99/50/1300709950.db2.gz FSYAWQPJSKVGEH-UHFFFAOYSA-N 1 0 326.356 2.042 10 5 EEBERO Cc1ccc(CNC(=O)NCc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC001234582971 1304977518 /nfs/dbraw/zinc/97/75/18/1304977518.db2.gz SDOWYBKZRBJNKF-UHFFFAOYSA-N 1 0 343.387 2.364 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001118290350 1306335559 /nfs/dbraw/zinc/33/55/59/1306335559.db2.gz KARLPQJRHCKOBA-CJNGLKHVSA-N 1 0 334.372 2.382 10 5 EEBERO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001164037517 1321278148 /nfs/dbraw/zinc/27/81/48/1321278148.db2.gz ISFNMZNTLDHLQS-ZDUSSCGKSA-N 1 0 334.763 2.500 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001318274889 1332500431 /nfs/dbraw/zinc/50/04/31/1332500431.db2.gz YTXWLSMDPOTJFO-UHFFFAOYSA-N 1 0 341.371 2.428 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001344683171 1337409932 /nfs/dbraw/zinc/40/99/32/1337409932.db2.gz CCRFNOCNOLJKNF-RAIGVLPGSA-N 1 0 334.376 2.065 10 5 EEBERO COc1cc(C(=O)NCC23CCC[NH+](CCC2)C3)ccc1[N+](=O)[O-] ZINC001352464464 1337949937 /nfs/dbraw/zinc/94/99/37/1337949937.db2.gz DIMCOABRMIOCFP-UHFFFAOYSA-N 1 0 333.388 2.209 10 5 EEBERO Cc1cc(N2CCC(O)(C[NH+]3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC001613060409 1352313254 /nfs/dbraw/zinc/31/32/54/1352313254.db2.gz RWJNBNOCOXBZPM-UHFFFAOYSA-N 1 0 334.420 2.115 10 5 EEBERO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC(C)(C)C ZINC001620569014 1352360368 /nfs/dbraw/zinc/36/03/68/1352360368.db2.gz VZCOLNJNWHFQAB-GHMZBOCLSA-N 1 0 336.392 2.258 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001558679517 1342486572 /nfs/dbraw/zinc/48/65/72/1342486572.db2.gz QUXAFCPFPLJSPJ-CYBMUJFWSA-N 1 0 333.388 2.065 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC001583138725 1344875074 /nfs/dbraw/zinc/87/50/74/1344875074.db2.gz CQBACLIROGKTHN-UHFFFAOYSA-N 1 0 332.404 2.389 10 5 EEBERO C[N@@H+]1CCCC12CCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCO3)CC2 ZINC001597734453 1349930699 /nfs/dbraw/zinc/93/06/99/1349930699.db2.gz CZOFPVJLSBRAJS-UHFFFAOYSA-N 1 0 347.371 2.024 10 5 EEBERO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001629483567 1352553849 /nfs/dbraw/zinc/55/38/49/1352553849.db2.gz QHBLKWYOMBBGQY-SNVBAGLBSA-N 1 0 341.799 2.062 10 5 EEBERO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H](CO)C(C)(C)C ZINC001644971306 1352772089 /nfs/dbraw/zinc/77/20/89/1352772089.db2.gz UILDUQZDXQXVRU-CYBMUJFWSA-N 1 0 334.376 2.484 10 5 EEBERO C[C@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001648138902 1353418047 /nfs/dbraw/zinc/41/80/47/1353418047.db2.gz CIQZMJMTLMSGIF-SMDDNHRTSA-N 1 0 329.360 2.243 10 5 EEBERO Cc1nccnc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001648240862 1353421357 /nfs/dbraw/zinc/42/13/57/1353421357.db2.gz ROBSMXCOKUYNJE-LLVKDONJSA-N 1 0 329.360 2.373 10 5 EEBERO O=[N+]([O-])c1ccccc1CN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001655066216 1354163484 /nfs/dbraw/zinc/16/34/84/1354163484.db2.gz LEAVBUVQJQENTA-UHFFFAOYSA-N 1 0 333.432 2.408 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001655067072 1354164647 /nfs/dbraw/zinc/16/46/47/1354164647.db2.gz VPCWKQJLOSMOEI-LBPRGKRZSA-N 1 0 331.376 2.112 10 5 EEBERO COC(=O)[C@@]1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001655312122 1354170607 /nfs/dbraw/zinc/17/06/07/1354170607.db2.gz PVSFZWHEBOWVPH-SJCJKPOMSA-N 1 0 349.387 2.054 10 5 EEBERO CCCn1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001664216974 1355115233 /nfs/dbraw/zinc/11/52/33/1355115233.db2.gz FCBNJTOUXNTTED-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO O=C(NCC1([NH2+]CC2CC3(CCC3)C2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001666759598 1355587067 /nfs/dbraw/zinc/58/70/67/1355587067.db2.gz CHNXTJHIGQEUGC-HUUCEWRRSA-N 1 0 335.448 2.251 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000846716916 790455247 /nfs/dbraw/zinc/45/52/47/790455247.db2.gz AMSPFIHYDKNHFL-UHFFFAOYSA-N 1 0 341.795 2.089 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@]2(C)C[NH+]3CCC2CC3)c1 ZINC000912377936 788131442 /nfs/dbraw/zinc/13/14/42/788131442.db2.gz HDJQJZWMUPSYOK-GOSISDBHSA-N 1 0 347.415 2.273 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC(C)(C)n2ccnc2)c1 ZINC000912617428 788257640 /nfs/dbraw/zinc/25/76/40/788257640.db2.gz SROGRMUABGMSPF-UHFFFAOYSA-N 1 0 346.387 2.420 10 5 EEBERO C[C@H]1CC[N@H+](CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001136975865 788378588 /nfs/dbraw/zinc/37/85/88/788378588.db2.gz NGCWJWACKFIIFE-LBPRGKRZSA-N 1 0 342.399 2.402 10 5 EEBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301708 789336561 /nfs/dbraw/zinc/33/65/61/789336561.db2.gz MUWKPOROTAOUCM-CYBMUJFWSA-N 1 0 325.796 2.059 10 5 EEBERO COc1ccc(C[NH+]2CCC(Cc3nncn3C)CC2)cc1[N+](=O)[O-] ZINC001176295011 798404575 /nfs/dbraw/zinc/40/45/75/798404575.db2.gz KUOLNEYSBDJWNY-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO O=C(CC(F)(F)F)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001480130650 1099695842 /nfs/dbraw/zinc/69/58/42/1099695842.db2.gz NWWUWBJFJCBKOE-KYZUINATSA-N 1 0 337.323 2.346 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497572307 1102683878 /nfs/dbraw/zinc/68/38/78/1102683878.db2.gz LEXZQFZYUHPPSF-RTAKVZRXSA-N 1 0 340.383 2.398 10 5 EEBERO NC(=O)c1ccc(C[NH2+]C2(CO)CCCCCCC2)c([N+](=O)[O-])c1 ZINC001460662069 1110320603 /nfs/dbraw/zinc/32/06/03/1110320603.db2.gz SCBDLAIDCOTANN-UHFFFAOYSA-N 1 0 335.404 2.259 10 5 EEBERO CCOC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001460862472 1110326761 /nfs/dbraw/zinc/32/67/61/1110326761.db2.gz WPOAYHCMAYEFKJ-ZDUSSCGKSA-N 1 0 349.387 2.117 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC001461625350 1110346164 /nfs/dbraw/zinc/34/61/64/1110346164.db2.gz BKNAYCMODPXLOP-AWEZNQCLSA-N 1 0 332.404 2.435 10 5 EEBERO CC(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001479352379 1110685126 /nfs/dbraw/zinc/68/51/26/1110685126.db2.gz BTJIENZCIQFPPE-SHTZXODSSA-N 1 0 335.404 2.004 10 5 EEBERO C[C@@]([NH3+])(CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440750 214057151 /nfs/dbraw/zinc/05/71/51/214057151.db2.gz WXJLHKDUELNEEU-GFCCVEGCSA-N 1 0 336.175 2.263 10 5 EEBERO CN1CCO[C@@H](C[NH2+]Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000112548364 529784168 /nfs/dbraw/zinc/78/41/68/529784168.db2.gz FHZWLYVKTDMKJE-INIZCTEOSA-N 1 0 338.407 2.366 10 5 EEBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000451238149 243044561 /nfs/dbraw/zinc/04/45/61/243044561.db2.gz CRUAHGZLYFAULC-HZMBPMFUSA-N 1 0 337.376 2.088 10 5 EEBERO C[C@@]12C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451359707 243089006 /nfs/dbraw/zinc/08/90/06/243089006.db2.gz DFSPNVKDTCCJOX-CUGJGTHOSA-N 1 0 344.411 2.479 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000451590610 243167996 /nfs/dbraw/zinc/16/79/96/243167996.db2.gz ZQVVXWJGSFEHEK-DFBGVHRSSA-N 1 0 349.387 2.243 10 5 EEBERO C[C@H](C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000263335064 245395061 /nfs/dbraw/zinc/39/50/61/245395061.db2.gz VZXWMRHKSPYJIX-JEBQAFNWSA-N 1 0 330.384 2.382 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000191548901 256006365 /nfs/dbraw/zinc/00/63/65/256006365.db2.gz BJASTXACCQPMCN-UHFFFAOYSA-N 1 0 347.375 2.004 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)n1 ZINC000191813292 256006700 /nfs/dbraw/zinc/00/67/00/256006700.db2.gz ZRZLEJZERHPXQH-CYBMUJFWSA-N 1 0 339.440 2.298 10 5 EEBERO COc1cc(NCCCC[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000270558285 256147894 /nfs/dbraw/zinc/14/78/94/256147894.db2.gz JYMLYBBCBXOZCH-UHFFFAOYSA-N 1 0 327.356 2.267 10 5 EEBERO COc1cc(NC2CCN(CC[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271108664 256208941 /nfs/dbraw/zinc/20/89/41/256208941.db2.gz SQSTTWDIYXBAGY-UHFFFAOYSA-N 1 0 340.399 2.180 10 5 EEBERO O=C(CN1CCC([NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000104080259 159282537 /nfs/dbraw/zinc/28/25/37/159282537.db2.gz DCXZXUZIJNVBNZ-UHFFFAOYSA-N 1 0 332.404 2.094 10 5 EEBERO CCOCC[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000106110553 159312362 /nfs/dbraw/zinc/31/23/62/159312362.db2.gz IDXQTOVGJNZJAX-ZDUSSCGKSA-N 1 0 325.384 2.277 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000154904300 159692346 /nfs/dbraw/zinc/69/23/46/159692346.db2.gz LKMONDGXVWAHLH-CYBMUJFWSA-N 1 0 346.431 2.408 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247449455 160324923 /nfs/dbraw/zinc/32/49/23/160324923.db2.gz QBTDIEUSMRMITE-GXTWGEPZSA-N 1 0 335.404 2.406 10 5 EEBERO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000346708201 161394471 /nfs/dbraw/zinc/39/44/71/161394471.db2.gz UNWNHHJBGVCAFA-UHFFFAOYSA-N 1 0 329.360 2.262 10 5 EEBERO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)n(C)n1 ZINC000277647696 269167196 /nfs/dbraw/zinc/16/71/96/269167196.db2.gz FDEDMWZAEWYIEB-HNNXBMFYSA-N 1 0 329.404 2.395 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280196534 269337686 /nfs/dbraw/zinc/33/76/86/269337686.db2.gz PKISIDXXJXZPQB-JTQLQIEISA-N 1 0 329.759 2.140 10 5 EEBERO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277456420 274294442 /nfs/dbraw/zinc/29/44/42/274294442.db2.gz MFJFNBNRNLIADP-SKDRFNHKSA-N 1 0 327.768 2.201 10 5 EEBERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000287945302 275008581 /nfs/dbraw/zinc/00/85/81/275008581.db2.gz RTGHMSHNKFSPBK-OLZOCXBDSA-N 1 0 348.403 2.148 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000417721583 313576562 /nfs/dbraw/zinc/57/65/62/313576562.db2.gz UBYFXDPPMUQCAY-HIFRSBDPSA-N 1 0 349.435 2.002 10 5 EEBERO CCCc1ncc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000564793680 319110625 /nfs/dbraw/zinc/11/06/25/319110625.db2.gz RPYQNGVIQZAIPU-ZDUSSCGKSA-N 1 0 335.360 2.065 10 5 EEBERO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000564808787 319111902 /nfs/dbraw/zinc/11/19/02/319111902.db2.gz CEGFPNQZEUKMSC-CVEARBPZSA-N 1 0 349.431 2.336 10 5 EEBERO CCCc1ncc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000567104054 319348676 /nfs/dbraw/zinc/34/86/76/319348676.db2.gz DAPJBLZPQXERMM-LBPRGKRZSA-N 1 0 335.360 2.065 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000577749957 320273890 /nfs/dbraw/zinc/27/38/90/320273890.db2.gz HNMWYOLLJWFAMN-RHSMWYFYSA-N 1 0 347.415 2.262 10 5 EEBERO COC1CCC(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000578618446 323668498 /nfs/dbraw/zinc/66/84/98/323668498.db2.gz AJZAXAADPJTTSK-SIWZUTFBSA-N 1 0 338.404 2.129 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000326321064 465037676 /nfs/dbraw/zinc/03/76/76/465037676.db2.gz XXOFBZYLFUHYSJ-CQSZACIVSA-N 1 0 333.388 2.446 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000113226420 462578314 /nfs/dbraw/zinc/57/83/14/462578314.db2.gz WWPCEDJJKSXYSX-ZIAGYGMSSA-N 1 0 332.404 2.092 10 5 EEBERO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000066001250 462845782 /nfs/dbraw/zinc/84/57/82/462845782.db2.gz OFWPTWWAIQZYAW-LLVKDONJSA-N 1 0 347.462 2.057 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136447832 463242011 /nfs/dbraw/zinc/24/20/11/463242011.db2.gz QHYFFIYVWSGJDJ-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO COc1cnccc1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000187008885 464089782 /nfs/dbraw/zinc/08/97/82/464089782.db2.gz HRDWFSAWJKDWAU-QWHCGFSZSA-N 1 0 347.371 2.089 10 5 EEBERO COc1cc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000271617094 464343351 /nfs/dbraw/zinc/34/33/51/464343351.db2.gz LDDQLPJUOQZABG-TZMCWYRMSA-N 1 0 329.397 2.224 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000284842571 464362840 /nfs/dbraw/zinc/36/28/40/464362840.db2.gz QZTRNFSQQFJCFC-CQSZACIVSA-N 1 0 335.404 2.484 10 5 EEBERO Cn1nccc1C1=CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000285650546 464644150 /nfs/dbraw/zinc/64/41/50/464644150.db2.gz PCYBOTJIHWVZGV-UHFFFAOYSA-N 1 0 328.372 2.496 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183223933 464826566 /nfs/dbraw/zinc/82/65/66/464826566.db2.gz SNYSXEUXOLLMDS-SUNKGSAMSA-N 1 0 337.376 2.088 10 5 EEBERO Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000183479150 464869535 /nfs/dbraw/zinc/86/95/35/464869535.db2.gz DLOHQXLUIZFUEJ-YJBOKZPZSA-N 1 0 344.415 2.259 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCCO ZINC000276418709 464924846 /nfs/dbraw/zinc/92/48/46/464924846.db2.gz QPHYUSBGYCQOKZ-JTQLQIEISA-N 1 0 329.784 2.280 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000351882316 465416062 /nfs/dbraw/zinc/41/60/62/465416062.db2.gz FHNWSUYYOYHNFC-UHFFFAOYSA-N 1 0 335.404 2.086 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593919427 468434672 /nfs/dbraw/zinc/43/46/72/468434672.db2.gz QSCFSMZNXBXSQU-XKQJLSEDSA-N 1 0 347.415 2.404 10 5 EEBERO O=C(NCC[NH2+]C1CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591306414 468443755 /nfs/dbraw/zinc/44/37/55/468443755.db2.gz UKHJGLXPLASFMP-UHFFFAOYSA-N 1 0 343.181 2.231 10 5 EEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000362406278 465713421 /nfs/dbraw/zinc/71/34/21/465713421.db2.gz AXIGEHUKZAZTMD-GUYCJALGSA-N 1 0 346.431 2.070 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362452096 465751933 /nfs/dbraw/zinc/75/19/33/465751933.db2.gz UWOYZJOXAHDQIP-CJNGLKHVSA-N 1 0 333.388 2.343 10 5 EEBERO CC1CC[NH+](C2CCC(NC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CC1 ZINC000367551155 466409344 /nfs/dbraw/zinc/40/93/44/466409344.db2.gz XSPDMIKQQWPTCK-UHFFFAOYSA-N 1 0 349.435 2.101 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000362031592 466499215 /nfs/dbraw/zinc/49/92/15/466499215.db2.gz CCYUIRAKUPBQFX-UHFFFAOYSA-N 1 0 349.435 2.103 10 5 EEBERO [NH3+]C[C@]12CCC[C@H]1CN(c1ncc(Br)cc1[N+](=O)[O-])C2 ZINC000312701195 466534322 /nfs/dbraw/zinc/53/43/22/466534322.db2.gz NTZFDKWBQBNNJZ-ZANVPECISA-N 1 0 341.209 2.318 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423389293 466735729 /nfs/dbraw/zinc/73/57/29/466735729.db2.gz JGULGASNCZSFTD-DAXOMENPSA-N 1 0 329.404 2.005 10 5 EEBERO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423964019 466930309 /nfs/dbraw/zinc/93/03/09/466930309.db2.gz FPZXFJWYXJCBPW-NHYWBVRUSA-N 1 0 343.387 2.075 10 5 EEBERO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000366119833 467064980 /nfs/dbraw/zinc/06/49/80/467064980.db2.gz PQPVQTFGEXKRBS-ZFWWWQNUSA-N 1 0 340.383 2.383 10 5 EEBERO CC[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451259994 467251008 /nfs/dbraw/zinc/25/10/08/467251008.db2.gz UBQBGOQPBYYQSU-BBRMVZONSA-N 1 0 335.404 2.325 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)C[NH+]1CCCC1 ZINC000452097757 467320508 /nfs/dbraw/zinc/32/05/08/467320508.db2.gz RUBYFPLTIVBPHB-UHFFFAOYSA-N 1 0 334.420 2.306 10 5 EEBERO COc1ccc(OCCN2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420367957 467381280 /nfs/dbraw/zinc/38/12/80/467381280.db2.gz KCMWAYNLKKFISS-KRWDZBQOSA-N 1 0 335.404 2.058 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000487114790 468023589 /nfs/dbraw/zinc/02/35/89/468023589.db2.gz HJHVKEPCWGYQEY-UHFFFAOYSA-N 1 0 339.342 2.184 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000589495715 468157017 /nfs/dbraw/zinc/15/70/17/468157017.db2.gz CUBQOQQCNYNVGP-ZDUSSCGKSA-N 1 0 335.404 2.155 10 5 EEBERO CNc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600470351 468567604 /nfs/dbraw/zinc/56/76/04/468567604.db2.gz NMKPRZCYTSRJNM-CYBMUJFWSA-N 1 0 332.404 2.383 10 5 EEBERO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592178271 468647206 /nfs/dbraw/zinc/64/72/06/468647206.db2.gz SBOAMHMHVRPJHV-QGZVFWFLSA-N 1 0 347.415 2.476 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCO[C@H]2CC2(F)F)n1 ZINC000595066771 468752551 /nfs/dbraw/zinc/75/25/51/468752551.db2.gz BMUUKISTFIKBON-TUAOUCFPSA-N 1 0 330.335 2.289 10 5 EEBERO Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595119982 468763192 /nfs/dbraw/zinc/76/31/92/468763192.db2.gz DVWWCLREQLVHIX-GFCCVEGCSA-N 1 0 349.840 2.208 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000560181505 468772246 /nfs/dbraw/zinc/77/22/46/468772246.db2.gz BRIKRXSLSKBEOO-CQSZACIVSA-N 1 0 335.404 2.484 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595226645 468788454 /nfs/dbraw/zinc/78/84/54/468788454.db2.gz XLZSVLOQJYINNG-YOEHRIQHSA-N 1 0 347.415 2.354 10 5 EEBERO CCOc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601559682 468918491 /nfs/dbraw/zinc/91/84/91/468918491.db2.gz VRYAHQBJVVVZDA-ZIAGYGMSSA-N 1 0 333.388 2.208 10 5 EEBERO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccnn2CCc2ccccc2)c1 ZINC000598641812 468941686 /nfs/dbraw/zinc/94/16/86/468941686.db2.gz NWIHADDUTWACGE-UHFFFAOYSA-N 1 0 340.387 2.020 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000595672521 468948440 /nfs/dbraw/zinc/94/84/40/468948440.db2.gz ADDGCUUHKZUMOQ-GDBMZVCRSA-N 1 0 346.387 2.363 10 5 EEBERO C[C@H](O)C[N@@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000593468675 468994396 /nfs/dbraw/zinc/99/43/96/468994396.db2.gz DDVVAHOTVPYUBH-STQMWFEESA-N 1 0 330.388 2.034 10 5 EEBERO C[C@@](O)(C[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000601967630 469118578 /nfs/dbraw/zinc/11/85/78/469118578.db2.gz VNWJJHYCOWGBKE-GOEBONIOSA-N 1 0 342.823 2.292 10 5 EEBERO CN(C(=O)C[NH2+][C@@]1(CO)CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599594471 469303193 /nfs/dbraw/zinc/30/31/93/469303193.db2.gz LOOBJVPYMGCBIN-SFHVURJKSA-N 1 0 349.431 2.479 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599780379 469367419 /nfs/dbraw/zinc/36/74/19/469367419.db2.gz VVJYVQWCKVGDQT-UHFFFAOYSA-N 1 0 348.403 2.313 10 5 EEBERO C[NH+](C)C1CC(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000670401517 471711986 /nfs/dbraw/zinc/71/19/86/471711986.db2.gz KGBCKIRKURLMLX-UHFFFAOYSA-N 1 0 349.434 2.364 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186868245 534077158 /nfs/dbraw/zinc/07/71/58/534077158.db2.gz NSAYMYBMSKULIW-PWSUYJOCSA-N 1 0 341.795 2.131 10 5 EEBERO O=C(NCCNc1cc[nH+]cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735859749 578170525 /nfs/dbraw/zinc/17/05/25/578170525.db2.gz OJYBCSAOCSZCHD-UHFFFAOYSA-N 1 0 335.751 2.299 10 5 EEBERO C[C@H](CO)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000120813520 675566877 /nfs/dbraw/zinc/56/68/77/675566877.db2.gz XTVILRLRHAPTBU-NSHDSACASA-N 1 0 347.337 2.364 10 5 EEBERO Cc1ccc(NCCCNC(=O)[C@@]23CC[N@H+](C2)CCC3)c([N+](=O)[O-])c1 ZINC000896519544 685010928 /nfs/dbraw/zinc/01/09/28/685010928.db2.gz XEZUKCSHUYOJQB-SFHVURJKSA-N 1 0 346.431 2.307 10 5 EEBERO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899988134 693954662 /nfs/dbraw/zinc/95/46/62/693954662.db2.gz YSDLEULSXMHERT-BBRMVZONSA-N 1 0 332.404 2.140 10 5 EEBERO Cc1c(CC(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC000898835967 693476516 /nfs/dbraw/zinc/47/65/16/693476516.db2.gz QRBSBEXQFLWYGT-HOTGVXAUSA-N 1 0 331.416 2.435 10 5 EEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899149411 693632960 /nfs/dbraw/zinc/63/29/60/693632960.db2.gz UQVXJKWWWSZCOT-KRWDZBQOSA-N 1 0 347.415 2.053 10 5 EEBERO CC[N@H+](CCNC(=O)c1ocnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001266383707 1176455068 /nfs/dbraw/zinc/45/50/68/1176455068.db2.gz UXAXZALJFZCRLX-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC(C)n1cnc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001481261727 1180501766 /nfs/dbraw/zinc/50/17/66/1180501766.db2.gz LXHRPLZOPCGMTD-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO COc1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001268606642 1183519336 /nfs/dbraw/zinc/51/93/36/1183519336.db2.gz GQERPFICUHVYBH-SNAWJCMRSA-N 1 0 345.355 2.272 10 5 EEBERO COCC1(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001272068029 1187383822 /nfs/dbraw/zinc/38/38/22/1187383822.db2.gz RZFXEEGLDSHLRV-UHFFFAOYSA-N 1 0 349.431 2.302 10 5 EEBERO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001273077608 1194371057 /nfs/dbraw/zinc/37/10/57/1194371057.db2.gz OIKHNAJYPBELOX-HZPDHXFCSA-N 1 0 331.416 2.043 10 5 EEBERO Cc1ccc(N(C)CCNC(=O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001487404432 1197409002 /nfs/dbraw/zinc/40/90/02/1197409002.db2.gz UBASOVABDCXOPT-UHFFFAOYSA-N 1 0 348.447 2.188 10 5 EEBERO C[NH+](C)C1(C)CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000871355290 1197697107 /nfs/dbraw/zinc/69/71/07/1197697107.db2.gz DKGQCISJHZMWEE-UHFFFAOYSA-N 1 0 335.404 2.353 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCSC1 ZINC000872217144 1198092121 /nfs/dbraw/zinc/09/21/21/1198092121.db2.gz NZSYRRNMGUFSMO-STQMWFEESA-N 1 0 326.418 2.067 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCSC2)c1 ZINC000872217436 1198092192 /nfs/dbraw/zinc/09/21/92/1198092192.db2.gz WIUSZPIRKKCJDQ-TZMCWYRMSA-N 1 0 326.418 2.067 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000865660247 1198320504 /nfs/dbraw/zinc/32/05/04/1198320504.db2.gz QYLOFIBVMLNEAM-IDJPSDCMSA-N 1 0 333.432 2.433 10 5 EEBERO CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000865776284 1198371358 /nfs/dbraw/zinc/37/13/58/1198371358.db2.gz QGZXVTUMQXCIGA-UHFFFAOYSA-N 1 0 349.431 2.491 10 5 EEBERO COc1cc(CON=C(N)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000809996291 1199190454 /nfs/dbraw/zinc/19/04/54/1199190454.db2.gz WLQKAZLLVWEMTF-UHFFFAOYSA-N 1 0 336.392 2.478 10 5 EEBERO COc1cc(CON=C(N)C[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000809996265 1199190661 /nfs/dbraw/zinc/19/06/61/1199190661.db2.gz VSTVPALPSFMZFE-LBPRGKRZSA-N 1 0 336.392 2.476 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000810044360 1199219761 /nfs/dbraw/zinc/21/97/61/1199219761.db2.gz VJYPIFKCRWULEZ-UHFFFAOYSA-N 1 0 336.797 2.299 10 5 EEBERO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000869449358 1200089255 /nfs/dbraw/zinc/08/92/55/1200089255.db2.gz ZREOUDOGTJJKOB-CQSZACIVSA-N 1 0 335.379 2.410 10 5 EEBERO CC(C)c1n[nH]c(C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000870507854 1200714325 /nfs/dbraw/zinc/71/43/25/1200714325.db2.gz IDEGTNQWADTDKY-UHFFFAOYSA-N 1 0 349.435 2.389 10 5 EEBERO C[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCC1(C)C ZINC000866112552 1201435749 /nfs/dbraw/zinc/43/57/49/1201435749.db2.gz FRGBFKDFBNPLSE-UHFFFAOYSA-N 1 0 331.376 2.164 10 5 EEBERO CO[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000866386286 1201505493 /nfs/dbraw/zinc/50/54/93/1201505493.db2.gz ZKZFNVQIBFGYPS-AXAPSJFSSA-N 1 0 326.368 2.306 10 5 EEBERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000866539605 1201544028 /nfs/dbraw/zinc/54/40/28/1201544028.db2.gz DSBZOUZSHQLJLR-DZGCQCFKSA-N 1 0 326.418 2.349 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866721149 1201589500 /nfs/dbraw/zinc/58/95/00/1201589500.db2.gz KRMDQJXTKVWMCP-CVEARBPZSA-N 1 0 332.404 2.058 10 5 EEBERO C[C@]([NH3+])(C(=O)NC[C@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000867979797 1201719304 /nfs/dbraw/zinc/71/93/04/1201719304.db2.gz KNCNCLCGCVRHBX-CZUORRHYSA-N 1 0 349.456 2.418 10 5 EEBERO Cc1c(CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000868535407 1201829855 /nfs/dbraw/zinc/82/98/55/1201829855.db2.gz RVEWXHJCVFDXEV-HOCLYGCPSA-N 1 0 332.404 2.139 10 5 EEBERO CC(=O)N1CCC(OCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001276153664 1205802236 /nfs/dbraw/zinc/80/22/36/1205802236.db2.gz RGPBIMQILCLCIZ-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO CCO[C@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000930314614 1206548868 /nfs/dbraw/zinc/54/88/68/1206548868.db2.gz GYYPEQSWPXNRLB-CYBMUJFWSA-N 1 0 338.408 2.300 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC([N@@H+]3CCCOCC3)CC2)cs1 ZINC000931291510 1206622436 /nfs/dbraw/zinc/62/24/36/1206622436.db2.gz UZEFBNLHSHJQLH-UHFFFAOYSA-N 1 0 325.434 2.343 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650993 1210380126 /nfs/dbraw/zinc/38/01/26/1210380126.db2.gz QGUTXBRDSVVQQX-GFCCVEGCSA-N 1 0 341.795 2.089 10 5 EEBERO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859519985 1294467332 /nfs/dbraw/zinc/46/73/32/1294467332.db2.gz XOXDKJCGJWCTNQ-HNNXBMFYSA-N 1 0 338.379 2.487 10 5 EEBERO Cc1c(NC(=O)N(C)C[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000859685030 1294597656 /nfs/dbraw/zinc/59/76/56/1294597656.db2.gz PPHRRBDOHSNDLG-ZETCQYMHSA-N 1 0 345.197 2.477 10 5 EEBERO Cc1ccc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1Br ZINC000798217612 1304950879 /nfs/dbraw/zinc/95/08/79/1304950879.db2.gz VEHYNSQXBHUNEA-CYBMUJFWSA-N 1 0 346.225 2.390 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001142004606 1315417951 /nfs/dbraw/zinc/41/79/51/1315417951.db2.gz DMWDRVFFNJBLRJ-LBPRGKRZSA-N 1 0 342.399 2.402 10 5 EEBERO Cc1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c(N)c([N+](=O)[O-])c1 ZINC001149198627 1315930608 /nfs/dbraw/zinc/93/06/08/1315930608.db2.gz ZPDSEIJHIRNSNB-ZIAGYGMSSA-N 1 0 332.404 2.088 10 5 EEBERO CCCC[N@H+](C)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001293210457 1328635234 /nfs/dbraw/zinc/63/52/34/1328635234.db2.gz OPHPKZQPACSCRM-UHFFFAOYSA-N 1 0 345.403 2.447 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC001265845163 1323419199 /nfs/dbraw/zinc/41/91/99/1323419199.db2.gz FABVPCCHZHIUAS-BXUZGUMPSA-N 1 0 343.786 2.082 10 5 EEBERO CC(C)(C)CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281489268 1325164542 /nfs/dbraw/zinc/16/45/42/1325164542.db2.gz BTVOOMWEWILVJA-ZIAGYGMSSA-N 1 0 325.453 2.449 10 5 EEBERO Cc1cnoc1C(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001316857375 1331553006 /nfs/dbraw/zinc/55/30/06/1331553006.db2.gz GPVDMXAPFMBWTC-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC[N@H+](CCNC(=O)COC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001317474866 1331581989 /nfs/dbraw/zinc/58/19/89/1331581989.db2.gz PUXQXNRIABVVMB-UHFFFAOYSA-N 1 0 337.420 2.348 10 5 EEBERO CCc1nc[nH]c1C(=O)NCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC001317493185 1331702163 /nfs/dbraw/zinc/70/21/63/1331702163.db2.gz SPIAVSKKNSVBAR-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO CC(F)(F)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001317090038 1332075033 /nfs/dbraw/zinc/07/50/33/1332075033.db2.gz ZVGCKYLPUKZHNJ-HAQNSBGRSA-N 1 0 327.331 2.377 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 ZINC001348310003 1337548510 /nfs/dbraw/zinc/54/85/10/1337548510.db2.gz GLCOERWQIBLUEE-XKQJLSEDSA-N 1 0 344.415 2.003 10 5 EEBERO CCOc1cc(C[N@H+](C)C2CCS(=O)CC2)ccc1[N+](=O)[O-] ZINC001615895065 1352325988 /nfs/dbraw/zinc/32/59/88/1352325988.db2.gz NSZYATIKWIFOHX-UHFFFAOYSA-N 1 0 326.418 2.336 10 5 EEBERO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001617487369 1352341929 /nfs/dbraw/zinc/34/19/29/1352341929.db2.gz NZHZZTCMBDXFMJ-OAHLLOKOSA-N 1 0 335.404 2.162 10 5 EEBERO CNc1nccc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC001558665107 1342485857 /nfs/dbraw/zinc/48/58/57/1342485857.db2.gz PQJUABHZNSGJBX-UHFFFAOYSA-N 1 0 347.419 2.168 10 5 EEBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CCCCC2)CC1 ZINC001569700232 1342927067 /nfs/dbraw/zinc/92/70/67/1342927067.db2.gz SWQQYVCTQJVMGT-HZPDHXFCSA-N 1 0 337.464 2.450 10 5 EEBERO CCOc1ccc(NC(=O)C[NH2+][C@H](C)C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001648391276 1353428545 /nfs/dbraw/zinc/42/85/45/1353428545.db2.gz DMAFQIXZMRKOJT-LLVKDONJSA-N 1 0 339.392 2.335 10 5 EEBERO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001648479032 1353430638 /nfs/dbraw/zinc/43/06/38/1353430638.db2.gz IRXOUNXXFDDXDY-AWEZNQCLSA-N 1 0 326.356 2.133 10 5 EEBERO Cc1ocnc1C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001673421311 1355014743 /nfs/dbraw/zinc/01/47/43/1355014743.db2.gz VLSPBWIIAFGHQK-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO NC(=O)C1(c2ccccc2)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001167405230 758270815 /nfs/dbraw/zinc/27/08/15/758270815.db2.gz BCUQALPXZJGZCF-UHFFFAOYSA-N 1 0 340.383 2.009 10 5 EEBERO C[NH2+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000846690987 790411403 /nfs/dbraw/zinc/41/14/03/790411403.db2.gz HQJLRSKCPTYCSA-UHFFFAOYSA-N 1 0 342.399 2.310 10 5 EEBERO Cc1noc(C)c1CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819143904 785421516 /nfs/dbraw/zinc/42/15/16/785421516.db2.gz QPEBMGSYNBGTRU-AWEZNQCLSA-N 1 0 349.387 2.162 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000819318588 785524520 /nfs/dbraw/zinc/52/45/20/785524520.db2.gz CAGKGFCYTMCCAU-GOEBONIOSA-N 1 0 332.331 2.361 10 5 EEBERO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C(C)(C)C ZINC000912033639 787902949 /nfs/dbraw/zinc/90/29/49/787902949.db2.gz QCNJTUNVXBIMJS-AWEZNQCLSA-N 1 0 338.383 2.118 10 5 EEBERO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC001175212030 798032850 /nfs/dbraw/zinc/03/28/50/798032850.db2.gz ZWSKCIVYQARNCS-LLVKDONJSA-N 1 0 329.360 2.266 10 5 EEBERO CCOc1ccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000823387184 798725903 /nfs/dbraw/zinc/72/59/03/798725903.db2.gz OIBBZOCJYVIUOH-HDICACEKSA-N 1 0 347.415 2.407 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000789521331 808039921 /nfs/dbraw/zinc/03/99/21/808039921.db2.gz TUGMHFRJVWFQBB-AWEZNQCLSA-N 1 0 345.403 2.283 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCN1CC[NH+](C(C)C)CC1 ZINC000791822982 809443824 /nfs/dbraw/zinc/44/38/24/809443824.db2.gz AZMUPJQZLLODTL-UHFFFAOYSA-N 1 0 349.431 2.476 10 5 EEBERO CCn1cc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001566440374 1125601764 /nfs/dbraw/zinc/60/17/64/1125601764.db2.gz NEBBCGQVCLTEKB-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC001545905266 1089201502 /nfs/dbraw/zinc/20/15/02/1089201502.db2.gz VVCGHZFDATWWTN-CXAGYDPISA-N 1 0 344.415 2.387 10 5 EEBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc[nH]1 ZINC001493349438 1107968987 /nfs/dbraw/zinc/96/89/87/1107968987.db2.gz TXJHSWUASBMYSY-UHFFFAOYSA-N 1 0 328.372 2.317 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(NCC[N@H+]3CC=CCC3)c2c1 ZINC001458357127 1109862488 /nfs/dbraw/zinc/86/24/88/1109862488.db2.gz FLFTYIXFJFHYBP-UHFFFAOYSA-N 1 0 328.372 2.247 10 5 EEBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001473602453 1110577362 /nfs/dbraw/zinc/57/73/62/1110577362.db2.gz RCCQHRXOFJHNCL-GHMZBOCLSA-N 1 0 330.344 2.347 10 5 EEBERO COc1ccc(NC(=O)C[NH2+][C@@H]2CCOC23CCCC3)c([N+](=O)[O-])c1 ZINC001473866284 1110582988 /nfs/dbraw/zinc/58/29/88/1110582988.db2.gz BGWXDTYZRGZJLC-OAHLLOKOSA-N 1 0 349.387 2.233 10 5 EEBERO COCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001501684747 1113434258 /nfs/dbraw/zinc/43/42/58/1113434258.db2.gz YHUFUOOJLDTWFE-KOMQPUFPSA-N 1 0 349.431 2.396 10 5 EEBERO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC1=CCCCC1 ZINC001568730883 1124745845 /nfs/dbraw/zinc/74/58/45/1124745845.db2.gz RBYKMDWMXWBCDC-UHFFFAOYSA-N 1 0 349.435 2.157 10 5 EEBERO C[C@@]12C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451377316 243095867 /nfs/dbraw/zinc/09/58/67/243095867.db2.gz XCUZAIBJOGWAMS-IQFXKTMKSA-N 1 0 327.384 2.338 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000164085044 533226853 /nfs/dbraw/zinc/22/68/53/533226853.db2.gz ZFFCPKAIDPMIGQ-FZMZJTMJSA-N 1 0 336.392 2.454 10 5 EEBERO CCCc1n[nH]c(C(=O)NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000109619458 159351099 /nfs/dbraw/zinc/35/10/99/159351099.db2.gz AHJJBNPBISLAPH-UHFFFAOYSA-N 1 0 337.424 2.265 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000351971801 162008726 /nfs/dbraw/zinc/00/87/26/162008726.db2.gz WVXKXRIQDVQHNT-HNNXBMFYSA-N 1 0 347.415 2.342 10 5 EEBERO COc1cc(CN2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000352776576 162282604 /nfs/dbraw/zinc/28/26/04/162282604.db2.gz DCMWTMRZDAISLQ-DZGCQCFKSA-N 1 0 325.434 2.081 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000360098373 164231420 /nfs/dbraw/zinc/23/14/20/164231420.db2.gz OFDUWBRZXLDNER-UHFFFAOYSA-N 1 0 349.387 2.044 10 5 EEBERO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000375326311 167112899 /nfs/dbraw/zinc/11/28/99/167112899.db2.gz CQAZLVZCKVDMPM-MRXNPFEDSA-N 1 0 349.387 2.043 10 5 EEBERO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000278382096 269228214 /nfs/dbraw/zinc/22/82/14/269228214.db2.gz UKAYVEVAULUSRU-GRDNDAEWSA-N 1 0 338.404 2.002 10 5 EEBERO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280047039 269323995 /nfs/dbraw/zinc/32/39/95/269323995.db2.gz ZYVCYFKWSMYCFB-UWVGGRQHSA-N 1 0 343.786 2.481 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000280927741 269398243 /nfs/dbraw/zinc/39/82/43/269398243.db2.gz VPNUSBUKVNGLFP-GFCCVEGCSA-N 1 0 338.408 2.133 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000188731690 274032760 /nfs/dbraw/zinc/03/27/60/274032760.db2.gz PQESPYLYAPJZLA-UHFFFAOYSA-N 1 0 327.340 2.137 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186858513 274306922 /nfs/dbraw/zinc/30/69/22/274306922.db2.gz NPVAXBNAGSQLHX-MFKMUULPSA-N 1 0 346.412 2.446 10 5 EEBERO COC(=O)c1cc(C)nc(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000286696881 274897095 /nfs/dbraw/zinc/89/70/95/274897095.db2.gz OHCCMDPKPCLLSH-UHFFFAOYSA-N 1 0 336.392 2.005 10 5 EEBERO CC[NH+]1CCN(CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291564077 275318007 /nfs/dbraw/zinc/31/80/07/275318007.db2.gz CUKSWFWGTMLZCU-UHFFFAOYSA-N 1 0 329.404 2.192 10 5 EEBERO COc1ccc(OCCN2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065764 275370721 /nfs/dbraw/zinc/37/07/21/275370721.db2.gz CYTQGOOPMUSJPA-KRWDZBQOSA-N 1 0 335.404 2.010 10 5 EEBERO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284100043 293031412 /nfs/dbraw/zinc/03/14/12/293031412.db2.gz OLJOOWMQBZTJFU-RVSPLBMKSA-N 1 0 349.431 2.395 10 5 EEBERO COC(=O)CC1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000298662146 294554294 /nfs/dbraw/zinc/55/42/94/294554294.db2.gz YBZOJUGEUPVPEI-UHFFFAOYSA-N 1 0 349.387 2.389 10 5 EEBERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000392969884 312441248 /nfs/dbraw/zinc/44/12/48/312441248.db2.gz UMBQCCBXJFEILU-GZMMTYOYSA-N 1 0 342.193 2.114 10 5 EEBERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421395457 314096430 /nfs/dbraw/zinc/09/64/30/314096430.db2.gz YKZSHBYNVMDUKL-GFCCVEGCSA-N 1 0 329.356 2.423 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000537214019 318014516 /nfs/dbraw/zinc/01/45/16/318014516.db2.gz GVHFGGHWLZVKCO-UHFFFAOYSA-N 1 0 345.403 2.019 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000540515134 318075092 /nfs/dbraw/zinc/07/50/92/318075092.db2.gz XZHXXUACZMJKBM-UHFFFAOYSA-N 1 0 344.209 2.381 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000566484929 319294109 /nfs/dbraw/zinc/29/41/09/319294109.db2.gz ZRHUHHFBCOPCPF-OAHLLOKOSA-N 1 0 334.420 2.298 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2CCC1(C[NH3+])CC2 ZINC000577528171 320261212 /nfs/dbraw/zinc/26/12/12/320261212.db2.gz FAWJFQFTYXWIOB-UHFFFAOYSA-N 1 0 346.431 2.435 10 5 EEBERO CC(C)(C(=O)NCCNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1F ZINC000358426077 465114911 /nfs/dbraw/zinc/11/49/11/465114911.db2.gz SJNYZUHBWCWCCX-UHFFFAOYSA-N 1 0 346.362 2.057 10 5 EEBERO CSc1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000347912396 465304480 /nfs/dbraw/zinc/30/44/80/465304480.db2.gz FITFVECKTNGVLD-CQSZACIVSA-N 1 0 335.429 2.483 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113444989 462595991 /nfs/dbraw/zinc/59/59/91/462595991.db2.gz ARBAHKDNGHCMQJ-GXFFZTMASA-N 1 0 348.359 2.120 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243897 462690349 /nfs/dbraw/zinc/69/03/49/462690349.db2.gz LWYZWVUXKUTKBI-NSHDSACASA-N 1 0 347.462 2.199 10 5 EEBERO CC[NH+]1CCC(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000089977195 462758929 /nfs/dbraw/zinc/75/89/29/462758929.db2.gz CVCZJURSZOSWJR-UHFFFAOYSA-N 1 0 332.404 2.147 10 5 EEBERO Cc1ccc(N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000105800859 463466666 /nfs/dbraw/zinc/46/66/66/463466666.db2.gz WQZBUEMGLUJXJB-UHFFFAOYSA-N 1 0 327.388 2.406 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)C1CC1 ZINC000125475897 463548280 /nfs/dbraw/zinc/54/82/80/463548280.db2.gz GYPRCPRMOWHOPI-AEFFLSMTSA-N 1 0 334.416 2.295 10 5 EEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000059892028 463646780 /nfs/dbraw/zinc/64/67/80/463646780.db2.gz ZXNRMZITVJVQMU-AWEZNQCLSA-N 1 0 332.404 2.383 10 5 EEBERO CS(=O)(=O)c1ccc(NCc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])c1 ZINC000261624997 463805812 /nfs/dbraw/zinc/80/58/12/463805812.db2.gz GPQGEGWQXHGYPB-UHFFFAOYSA-N 1 0 347.396 2.214 10 5 EEBERO COc1cc(C[NH2+][C@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272242452 464532971 /nfs/dbraw/zinc/53/29/71/464532971.db2.gz AUJDHYBSFDQDMV-VHSXEESVSA-N 1 0 348.346 2.354 10 5 EEBERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246126649 464548262 /nfs/dbraw/zinc/54/82/62/464548262.db2.gz JHUQBRQARRLYIT-STQMWFEESA-N 1 0 341.433 2.006 10 5 EEBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599927545 468414871 /nfs/dbraw/zinc/41/48/71/468414871.db2.gz BNKYMSOQNGNWKD-OAHLLOKOSA-N 1 0 332.404 2.063 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000286156879 464822704 /nfs/dbraw/zinc/82/27/04/464822704.db2.gz BVXIAORQUPUDAM-STQMWFEESA-N 1 0 334.376 2.124 10 5 EEBERO CCn1nccc1CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000276345633 464897892 /nfs/dbraw/zinc/89/78/92/464897892.db2.gz VDVQTVDWKVYHHO-UHFFFAOYSA-N 1 0 329.404 2.176 10 5 EEBERO CCOc1cccc(NC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000184052578 464941498 /nfs/dbraw/zinc/94/14/98/464941498.db2.gz OBJRTYAIUHLQKQ-UHFFFAOYSA-N 1 0 336.436 2.431 10 5 EEBERO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000192643381 464966279 /nfs/dbraw/zinc/96/62/79/464966279.db2.gz BGIPBPMAJKRGHJ-YHWZYXNKSA-N 1 0 333.388 2.349 10 5 EEBERO C[N@H+](CCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C1CCCCC1 ZINC000357174864 465832348 /nfs/dbraw/zinc/83/23/48/465832348.db2.gz QCSFECBCIKMLJP-UHFFFAOYSA-N 1 0 345.403 2.920 10 5 EEBERO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600146010 468474682 /nfs/dbraw/zinc/47/46/82/468474682.db2.gz TYPHNIGHHVGPKE-JTQLQIEISA-N 1 0 348.371 2.392 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347351305 466585255 /nfs/dbraw/zinc/58/52/55/466585255.db2.gz DSLYDYBOXCCGOZ-HKBKRHGFSA-N 1 0 333.432 2.387 10 5 EEBERO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000363872637 466642687 /nfs/dbraw/zinc/64/26/87/466642687.db2.gz CJJVEVAQTXCJGE-AWEZNQCLSA-N 1 0 326.356 2.123 10 5 EEBERO Cc1cc(N2CC[C@@]3(CNC(=O)C3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000365103237 466731491 /nfs/dbraw/zinc/73/14/91/466731491.db2.gz ZAFOAPWCOWXTLQ-QGZVFWFLSA-N 1 0 326.356 2.168 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423689334 466802838 /nfs/dbraw/zinc/80/28/38/466802838.db2.gz XSNXBNARCLWAOW-CABZTGNLSA-N 1 0 332.385 2.280 10 5 EEBERO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccccc1 ZINC000411482592 466833859 /nfs/dbraw/zinc/83/38/59/466833859.db2.gz SVPQGIIQCRCZBS-UHFFFAOYSA-N 1 0 326.356 2.377 10 5 EEBERO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423964023 466930254 /nfs/dbraw/zinc/93/02/54/466930254.db2.gz FPZXFJWYXJCBPW-XHDPSFHLSA-N 1 0 343.387 2.075 10 5 EEBERO C[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)[C@@H]1C(=O)OC(C)(C)C ZINC000425511817 467102603 /nfs/dbraw/zinc/10/26/03/467102603.db2.gz DYMQVERACWMBPU-OCCSQVGLSA-N 1 0 338.408 2.234 10 5 EEBERO COC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000452109955 467325541 /nfs/dbraw/zinc/32/55/41/467325541.db2.gz XRJUCCWSZGZWGB-CABCVRRESA-N 1 0 338.404 2.083 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCC2CCOCC2)c1 ZINC000519822348 468217513 /nfs/dbraw/zinc/21/75/13/468217513.db2.gz QNGGXHJVFVPPCI-INIZCTEOSA-N 1 0 338.404 2.131 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000595031467 468745822 /nfs/dbraw/zinc/74/58/22/468745822.db2.gz HHRNZYHESJXJPS-UHFFFAOYSA-N 1 0 348.371 2.046 10 5 EEBERO C[N@@H+]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC000592881660 468814392 /nfs/dbraw/zinc/81/43/92/468814392.db2.gz MXOPJRUMSLSLDA-KGLIPLIRSA-N 1 0 329.356 2.263 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3(CCO)CCCC3)n2)c1 ZINC000595509880 468882192 /nfs/dbraw/zinc/88/21/92/468882192.db2.gz XZRTWDYNGWGCAR-UHFFFAOYSA-N 1 0 332.360 2.430 10 5 EEBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601554910 468915871 /nfs/dbraw/zinc/91/58/71/468915871.db2.gz AWEGXALBRPOTJA-SWLSCSKDSA-N 1 0 335.429 2.287 10 5 EEBERO Cc1c(NC(=O)CC[NH2+][C@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595779238 469004221 /nfs/dbraw/zinc/00/42/21/469004221.db2.gz BARIIJPUISOAIZ-GJZGRUSLSA-N 1 0 333.388 2.125 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601790778 469027989 /nfs/dbraw/zinc/02/79/89/469027989.db2.gz BFVUHLIXKPMVKU-UHFFFAOYSA-N 1 0 345.403 2.418 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000601966008 469116877 /nfs/dbraw/zinc/11/68/77/469116877.db2.gz VTTJSKGBZPICBI-OAHLLOKOSA-N 1 0 332.356 2.102 10 5 EEBERO COC(=O)c1c(Cl)c(N2CC(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596246825 469219302 /nfs/dbraw/zinc/21/93/02/469219302.db2.gz HYCWJCKBRIPYCC-UHFFFAOYSA-N 1 0 327.768 2.033 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000611616407 469293658 /nfs/dbraw/zinc/29/36/58/469293658.db2.gz LVNDBNYCFYWLFP-MRXNPFEDSA-N 1 0 347.463 2.213 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000599619160 469312270 /nfs/dbraw/zinc/31/22/70/469312270.db2.gz SUVVRJCAQNNWAL-UHFFFAOYSA-N 1 0 325.434 2.343 10 5 EEBERO O=[N+]([O-])c1ccc2nc(NC[C@H](O)C[NH+]3CCCCC3)sc2c1 ZINC000731206696 577086303 /nfs/dbraw/zinc/08/63/03/577086303.db2.gz OLNBSUXVIWEPRB-LBPRGKRZSA-N 1 0 336.417 2.463 10 5 EEBERO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC000732568149 577184714 /nfs/dbraw/zinc/18/47/14/577184714.db2.gz PXYVOWAEBBVRRF-ZDUSSCGKSA-N 1 0 332.404 2.383 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]4COCC[C@H]43)n2)c1 ZINC000756881768 577852215 /nfs/dbraw/zinc/85/22/15/577852215.db2.gz HAUREUPTFLSPSJ-GOEBONIOSA-N 1 0 343.387 2.312 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)n2)c1 ZINC000756881773 577852276 /nfs/dbraw/zinc/85/22/76/577852276.db2.gz HAUREUPTFLSPSJ-HOCLYGCPSA-N 1 0 343.387 2.312 10 5 EEBERO Cn1cc(CNCc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000162142062 679415083 /nfs/dbraw/zinc/41/50/83/679415083.db2.gz KBOQDUMQSQBJAR-UHFFFAOYSA-N 1 0 325.166 2.381 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898849374 693484878 /nfs/dbraw/zinc/48/48/78/693484878.db2.gz RYEYXQOPBKSXNJ-GJZGRUSLSA-N 1 0 333.388 2.206 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccnc(F)c1 ZINC001267353028 1178811888 /nfs/dbraw/zinc/81/18/88/1178811888.db2.gz LQLBJIZCJABXDK-UHFFFAOYSA-N 1 0 338.364 2.052 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C(F)F ZINC001267426565 1178997323 /nfs/dbraw/zinc/99/73/23/1178997323.db2.gz MWDFDWORIFWKDX-UHFFFAOYSA-N 1 0 329.347 2.434 10 5 EEBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cc[nH]c1 ZINC001481169893 1179981590 /nfs/dbraw/zinc/98/15/90/1179981590.db2.gz WNYWZKFCOOGUBO-UHFFFAOYSA-N 1 0 328.372 2.317 10 5 EEBERO COCCC(=O)N1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001267714557 1180256580 /nfs/dbraw/zinc/25/65/80/1180256580.db2.gz KWYBKNVFRPMMOS-UHFFFAOYSA-N 1 0 349.431 2.302 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cn1 ZINC001670772005 1181104029 /nfs/dbraw/zinc/10/40/29/1181104029.db2.gz MDRBTCMODNKNQC-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268790771 1183707632 /nfs/dbraw/zinc/70/76/32/1183707632.db2.gz HVAYGFYHBNVJFC-GHMZBOCLSA-N 1 0 331.825 2.005 10 5 EEBERO CCn1cnc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001483504367 1190518645 /nfs/dbraw/zinc/51/86/45/1190518645.db2.gz OWTLCRYFYLQFAG-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](C/C=C\Cl)CC2CC2)CC1 ZINC001483816137 1191060713 /nfs/dbraw/zinc/06/07/13/1191060713.db2.gz PRNSKUGUUJAWPC-QZHKXQFCSA-N 1 0 341.839 2.107 10 5 EEBERO CCC(CC)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC001485450233 1191789434 /nfs/dbraw/zinc/78/94/34/1191789434.db2.gz DDPBGUKHEHRZKY-HUUCEWRRSA-N 1 0 325.453 2.497 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000702397365 1195923709 /nfs/dbraw/zinc/92/37/09/1195923709.db2.gz KWXSQGPRVJGCTE-RNCFNFMXSA-N 1 0 341.209 2.140 10 5 EEBERO [NH3+]C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872148500 1198056942 /nfs/dbraw/zinc/05/69/42/1198056942.db2.gz JMJQLOJSYDZKHH-MNOVXSKESA-N 1 0 333.310 2.043 10 5 EEBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000870550495 1200738719 /nfs/dbraw/zinc/73/87/19/1200738719.db2.gz GVEZHDPATARVFR-CYBMUJFWSA-N 1 0 332.360 2.278 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000881985402 1201798108 /nfs/dbraw/zinc/79/81/08/1201798108.db2.gz MFHCKYPYEHMACQ-OAHLLOKOSA-N 1 0 346.431 2.014 10 5 EEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887929418 1204510226 /nfs/dbraw/zinc/51/02/26/1204510226.db2.gz VWORJQSICPISFT-UTCNALHMSA-N 1 0 329.400 2.408 10 5 EEBERO C[NH+](C)CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000928836849 1206426290 /nfs/dbraw/zinc/42/62/90/1206426290.db2.gz HZHREXYNEROVTK-QGZVFWFLSA-N 1 0 342.399 2.342 10 5 EEBERO C[NH+]1CCC(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000929434492 1206474181 /nfs/dbraw/zinc/47/41/81/1206474181.db2.gz TVAKPBJOIOLQRL-UHFFFAOYSA-N 1 0 325.796 2.391 10 5 EEBERO CCO[C@@H](CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000930314615 1206548933 /nfs/dbraw/zinc/54/89/33/1206548933.db2.gz GYYPEQSWPXNRLB-ZDUSSCGKSA-N 1 0 338.408 2.300 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000931262552 1206620212 /nfs/dbraw/zinc/62/02/12/1206620212.db2.gz XTOMGDSUTKVURL-YVEFUNNKSA-N 1 0 348.403 2.409 10 5 EEBERO C[C@@H]1[C@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000903301992 1240208937 /nfs/dbraw/zinc/20/89/37/1240208937.db2.gz VRKNKMNXZIYPQH-WQVCFCJDSA-N 1 0 329.404 2.100 10 5 EEBERO O=C(CN[C@@H]1CC[NH2+]C12CCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903465633 1240552275 /nfs/dbraw/zinc/55/22/75/1240552275.db2.gz KWROJJRTBPUPHA-CYBMUJFWSA-N 1 0 338.795 2.061 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000903530312 1240818658 /nfs/dbraw/zinc/81/86/58/1240818658.db2.gz XVTVJLSXVOYPJA-LBPRGKRZSA-N 1 0 340.811 2.261 10 5 EEBERO Cn1cc(CN2C[C@H]([NH3+])C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000903985968 1242876197 /nfs/dbraw/zinc/87/61/97/1242876197.db2.gz DDRVSQOMXXEIHA-HNNXBMFYSA-N 1 0 329.404 2.164 10 5 EEBERO O=[N+]([O-])c1ccccc1OCCN1CCC([NH2+]C2CCOCC2)CC1 ZINC001197739871 1284784494 /nfs/dbraw/zinc/78/44/94/1284784494.db2.gz VSTOUMLWQLWSSJ-UHFFFAOYSA-N 1 0 349.431 2.207 10 5 EEBERO Cc1noc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1[N+](=O)[O-] ZINC000852142476 1292010829 /nfs/dbraw/zinc/01/08/29/1292010829.db2.gz ZLWBNQFHEWHJQZ-OLZOCXBDSA-N 1 0 337.376 2.399 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000853795096 1292457672 /nfs/dbraw/zinc/45/76/72/1292457672.db2.gz KNBFJNKQAYBBLR-INIZCTEOSA-N 1 0 342.399 2.477 10 5 EEBERO C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000853867813 1292499394 /nfs/dbraw/zinc/49/93/94/1292499394.db2.gz SFKCUAIRCIATKZ-LBPRGKRZSA-N 1 0 348.403 2.458 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2c[nH]nc2[C@H]2CC[NH2+]C2)n1 ZINC000854139167 1292643958 /nfs/dbraw/zinc/64/39/58/1292643958.db2.gz JQCHCFDQMLTSEM-JTQLQIEISA-N 1 0 340.343 2.420 10 5 EEBERO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NOC1CC[NH+](C)CC1 ZINC000854358362 1292746073 /nfs/dbraw/zinc/74/60/73/1292746073.db2.gz VPHMAGGKDDVQDZ-UHFFFAOYSA-N 1 0 327.768 2.312 10 5 EEBERO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H](C)[NH2+]1 ZINC000856408904 1293516812 /nfs/dbraw/zinc/51/68/12/1293516812.db2.gz XFIBONCOWRVWJP-WDEREUQCSA-N 1 0 338.383 2.012 10 5 EEBERO CN(C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000857766306 1293911286 /nfs/dbraw/zinc/91/12/86/1293911286.db2.gz PKHJIPLCBOEUDB-UHFFFAOYSA-N 1 0 343.330 2.295 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1csnn1 ZINC001280836019 1296396875 /nfs/dbraw/zinc/39/68/75/1296396875.db2.gz QUMAQDJNQLLFNT-UHFFFAOYSA-N 1 0 349.416 2.040 10 5 EEBERO CC[N@H+](CCNC(=O)c1oc(C)nc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317477840 1331627511 /nfs/dbraw/zinc/62/75/11/1331627511.db2.gz QUDLZTJSZFVASD-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cccnn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316905448 1331971211 /nfs/dbraw/zinc/97/12/11/1331971211.db2.gz UYZVOEBOMZGSNC-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO CCc1cccc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001317595149 1332316026 /nfs/dbraw/zinc/31/60/26/1332316026.db2.gz KQENIXIMCRSIDX-UHFFFAOYSA-N 1 0 348.428 2.476 10 5 EEBERO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001569728231 1342934935 /nfs/dbraw/zinc/93/49/35/1342934935.db2.gz OUMSCYMHMWQYSS-BNNQUZSASA-N 1 0 347.415 2.316 10 5 EEBERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626583371 1352467522 /nfs/dbraw/zinc/46/75/22/1352467522.db2.gz WQBCYYSTLGPLCP-FRRDWIJNSA-N 1 0 334.420 2.273 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC([NH2+][C@H]3CCOC3)C2)nc1-c1ccccc1 ZINC001655894455 1354188891 /nfs/dbraw/zinc/18/88/91/1354188891.db2.gz DIDOCALRLKYWGW-AWEZNQCLSA-N 1 0 340.383 2.224 10 5 EEBERO C[C@H]1CC[C@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC001656510950 1354243677 /nfs/dbraw/zinc/24/36/77/1354243677.db2.gz KMIQJHCEZCVRBM-SUMWQHHRSA-N 1 0 330.388 2.166 10 5 EEBERO C[N@@H+](C/C=C/c1ccc(Cl)cc1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690940440 1404945090 /nfs/dbraw/zinc/94/50/90/1404945090.db2.gz XRXYZGRIFLJZLL-SWVJOTTGSA-N 1 0 337.807 2.066 10 5 EEBERO Cc1cc[nH]c1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001698984504 1405199864 /nfs/dbraw/zinc/19/98/64/1405199864.db2.gz CCUCBACURQXEQG-UHFFFAOYSA-N 1 0 330.388 2.435 10 5 EEBERO CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000906651435 784049967 /nfs/dbraw/zinc/04/99/67/784049967.db2.gz CMIPWBUSQUISFP-LLVKDONJSA-N 1 0 338.795 2.139 10 5 EEBERO C/C(=C/C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000908511341 785493588 /nfs/dbraw/zinc/49/35/88/785493588.db2.gz CBABXRPRANVWDL-FZDNWWAKSA-N 1 0 333.388 2.051 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912873317 788436404 /nfs/dbraw/zinc/43/64/04/788436404.db2.gz KOWXMKJOYQVEHI-UHFFFAOYSA-N 1 0 333.388 2.304 10 5 EEBERO C[NH+](C)C1(C)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000913397745 788839000 /nfs/dbraw/zinc/83/90/00/788839000.db2.gz ADOALPWMVMRMCZ-UHFFFAOYSA-N 1 0 335.404 2.306 10 5 EEBERO CCC[C@H](C)[C@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844376077 789072526 /nfs/dbraw/zinc/07/25/26/789072526.db2.gz WOZLEKFDSRFTEN-NHYWBVRUSA-N 1 0 341.383 2.449 10 5 EEBERO Cc1nocc1C(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001479792997 1099001627 /nfs/dbraw/zinc/00/16/27/1099001627.db2.gz DALKWWORDCURGN-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO C[C@@H]1CC[C@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC001460952870 1110329662 /nfs/dbraw/zinc/32/96/62/1110329662.db2.gz WTYJSUFRVGHBIG-CXAGYDPISA-N 1 0 330.388 2.166 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccccc1 ZINC001539242827 1124050807 /nfs/dbraw/zinc/05/08/07/1124050807.db2.gz ACORQVYHPNAZAE-OAHLLOKOSA-N 1 0 342.399 2.080 10 5 EEBERO CCc1ncoc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001568915758 1124943486 /nfs/dbraw/zinc/94/34/86/1124943486.db2.gz HQYFSDCGOYXSNL-ARJAWSKDSA-N 1 0 344.371 2.221 10 5 EEBERO CC(C)(C)C(=O)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001565859913 1125440320 /nfs/dbraw/zinc/44/03/20/1125440320.db2.gz BMQWCNJWMJIVEE-HDJSIYSDSA-N 1 0 347.415 2.194 10 5 EEBERO C[NH2+][C@H](C)CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261836329 283677657 /nfs/dbraw/zinc/67/76/57/283677657.db2.gz VUBUCGUDZXWYNK-QWHCGFSZSA-N 1 0 334.420 2.169 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000230173521 242244096 /nfs/dbraw/zinc/24/40/96/242244096.db2.gz RYHHOFVNFOFVKB-UHOSZYNNSA-N 1 0 342.395 2.136 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246763397 243312165 /nfs/dbraw/zinc/31/21/65/243312165.db2.gz ARBAHKDNGHCMQJ-ZWNOBZJWSA-N 1 0 348.359 2.120 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000119594769 140793800 /nfs/dbraw/zinc/79/38/00/140793800.db2.gz ZAEADVBIFANTAE-GFCCVEGCSA-N 1 0 338.383 2.166 10 5 EEBERO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000129709789 292362170 /nfs/dbraw/zinc/36/21/70/292362170.db2.gz NUJHSJJGWRKZEW-UHFFFAOYSA-N 1 0 335.404 2.454 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076482837 159085985 /nfs/dbraw/zinc/08/59/85/159085985.db2.gz JUESKHAKIZVPQK-CZUORRHYSA-N 1 0 335.404 2.162 10 5 EEBERO Cc1csc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000090523763 159197641 /nfs/dbraw/zinc/19/76/41/159197641.db2.gz QSXXSHYRVGFOJD-UHFFFAOYSA-N 1 0 348.428 2.401 10 5 EEBERO COc1ccccc1CC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104710000 159289831 /nfs/dbraw/zinc/28/98/31/159289831.db2.gz FMLXEELXYFLGAW-UHFFFAOYSA-N 1 0 343.383 2.377 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000193489712 160182645 /nfs/dbraw/zinc/18/26/45/160182645.db2.gz AVOAOJMXQUAEEM-HZPDHXFCSA-N 1 0 342.399 2.224 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000342004357 161031483 /nfs/dbraw/zinc/03/14/83/161031483.db2.gz YEJBWJNPZKDRBY-CXAGYDPISA-N 1 0 333.388 2.424 10 5 EEBERO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352559301 162187422 /nfs/dbraw/zinc/18/74/22/162187422.db2.gz HGUUQLFVMVJYLQ-CYBMUJFWSA-N 1 0 343.449 2.135 10 5 EEBERO COC(=O)c1cc(N2CC[NH+](C3CCC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000268467921 274000172 /nfs/dbraw/zinc/00/01/72/274000172.db2.gz GYVHDQGUMHXLNG-UHFFFAOYSA-N 1 0 333.388 2.364 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272508788 274174263 /nfs/dbraw/zinc/17/42/63/274174263.db2.gz YEUIKZIWQGTCCI-ZDUSSCGKSA-N 1 0 340.811 2.184 10 5 EEBERO COCC[N@@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291573956 275318965 /nfs/dbraw/zinc/31/89/65/275318965.db2.gz FEOSWHFIZFGULI-UHFFFAOYSA-N 1 0 330.388 2.302 10 5 EEBERO CC1(C)CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000261641335 276136813 /nfs/dbraw/zinc/13/68/13/276136813.db2.gz XBCUUOIOTPNMTG-JTQLQIEISA-N 1 0 329.198 2.316 10 5 EEBERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(I)cc1[N+](=O)[O-] ZINC000261548301 278081998 /nfs/dbraw/zinc/08/19/98/278081998.db2.gz JJBSLPMADIUUKM-APPZFPTMSA-N 1 0 347.156 2.125 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000439905045 315101733 /nfs/dbraw/zinc/10/17/33/315101733.db2.gz VHAOOFJZODQGNP-LBPRGKRZSA-N 1 0 336.392 2.457 10 5 EEBERO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000532144730 317845125 /nfs/dbraw/zinc/84/51/25/317845125.db2.gz SKMCRLLKRWIGJN-UHFFFAOYSA-N 1 0 332.360 2.095 10 5 EEBERO COc1cc(C[NH2+]CC[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)F ZINC000538713857 318043227 /nfs/dbraw/zinc/04/32/27/318043227.db2.gz OGZFSYXSZPEQRC-SECBINFHSA-N 1 0 334.319 2.108 10 5 EEBERO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000576846826 320209968 /nfs/dbraw/zinc/20/99/68/320209968.db2.gz TUWFHTJKHQYJBK-INIZCTEOSA-N 1 0 344.371 2.031 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125863686 463586185 /nfs/dbraw/zinc/58/61/85/463586185.db2.gz KSNWHZAWBNVJJP-DGCLKSJQSA-N 1 0 341.433 2.283 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295998695 465046487 /nfs/dbraw/zinc/04/64/87/465046487.db2.gz XOOLQCBUWXMSFT-UHFFFAOYSA-N 1 0 341.795 2.043 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000061637873 462594414 /nfs/dbraw/zinc/59/44/14/462594414.db2.gz KKPCICBAAHOXSK-UHFFFAOYSA-N 1 0 348.359 2.122 10 5 EEBERO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC[N@@H+]1CCOC ZINC000128057332 462606092 /nfs/dbraw/zinc/60/60/92/462606092.db2.gz JZOKBTFCIMFCIK-MRXNPFEDSA-N 1 0 349.431 2.476 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114484241 462653588 /nfs/dbraw/zinc/65/35/88/462653588.db2.gz DDIXVEPXDINFCP-NVXWUHKLSA-N 1 0 346.387 2.285 10 5 EEBERO COc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000089602850 462697627 /nfs/dbraw/zinc/69/76/27/462697627.db2.gz AJJSZNJOTWNXOM-GFCCVEGCSA-N 1 0 339.367 2.408 10 5 EEBERO COc1ccc(C(=O)NCc2nccn2CC(C)C)cc1[N+](=O)[O-] ZINC000131175664 462795174 /nfs/dbraw/zinc/79/51/74/462795174.db2.gz GLYQODRFMLHMFH-UHFFFAOYSA-N 1 0 332.360 2.386 10 5 EEBERO C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000155507082 462901438 /nfs/dbraw/zinc/90/14/38/462901438.db2.gz MGNDDHPYPNWEHA-TXEJJXNPSA-N 1 0 332.404 2.334 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134845165 463086712 /nfs/dbraw/zinc/08/67/12/463086712.db2.gz JTLJSSHZXJVMFI-ZDUSSCGKSA-N 1 0 341.795 2.089 10 5 EEBERO C[NH+](C)CCN(Cc1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071903986 463464651 /nfs/dbraw/zinc/46/46/51/463464651.db2.gz LAWNMTRWXMAKBX-UHFFFAOYSA-N 1 0 328.372 2.194 10 5 EEBERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000106910443 463549859 /nfs/dbraw/zinc/54/98/59/463549859.db2.gz UPCVNKJZSRJHBN-GOSISDBHSA-N 1 0 341.411 2.426 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000171079224 463778635 /nfs/dbraw/zinc/77/86/35/463778635.db2.gz AZSGZIKYLLOBBM-SNVBAGLBSA-N 1 0 344.318 2.364 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262254671 463983806 /nfs/dbraw/zinc/98/38/06/463983806.db2.gz QMOHYJOFWOZSDB-DDUZABMNSA-N 1 0 347.415 2.086 10 5 EEBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189197923 464454549 /nfs/dbraw/zinc/45/45/49/464454549.db2.gz NAGNXZQARGDBPV-ZDUSSCGKSA-N 1 0 342.399 2.427 10 5 EEBERO COc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000294335401 464469361 /nfs/dbraw/zinc/46/93/61/464469361.db2.gz FDGYWWDNFCNWEG-NSHDSACASA-N 1 0 339.367 2.347 10 5 EEBERO COc1cc(C[NH2+][C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000272242449 464533262 /nfs/dbraw/zinc/53/32/62/464533262.db2.gz AUJDHYBSFDQDMV-UWVGGRQHSA-N 1 0 348.346 2.354 10 5 EEBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000190447738 464646691 /nfs/dbraw/zinc/64/66/91/464646691.db2.gz HQILCSCCMVJGNV-OAHLLOKOSA-N 1 0 327.388 2.343 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295103283 464706299 /nfs/dbraw/zinc/70/62/99/464706299.db2.gz KRBWTYYYTMJHOY-ZDUSSCGKSA-N 1 0 327.812 2.185 10 5 EEBERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000183201217 464820845 /nfs/dbraw/zinc/82/08/45/464820845.db2.gz KKFQBIASMVPOCI-TVQRCGJNSA-N 1 0 327.768 2.344 10 5 EEBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCC1(C[NH3+])CC1 ZINC000593914107 468431645 /nfs/dbraw/zinc/43/16/45/468431645.db2.gz HJAATABBKQAAIJ-JTQLQIEISA-N 1 0 341.795 2.261 10 5 EEBERO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342921050 465388611 /nfs/dbraw/zinc/38/86/11/465388611.db2.gz MXVXAKOBMRIJKK-GFCCVEGCSA-N 1 0 328.372 2.385 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC000362483100 465774381 /nfs/dbraw/zinc/77/43/81/465774381.db2.gz HUKYKMLDHVEFBI-CYBMUJFWSA-N 1 0 335.404 2.407 10 5 EEBERO COc1cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000353330537 465803756 /nfs/dbraw/zinc/80/37/56/465803756.db2.gz QDEWWQBCCUSENK-AWEZNQCLSA-N 1 0 335.404 2.281 10 5 EEBERO CC[N@@H+]1CCCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301686063 466008565 /nfs/dbraw/zinc/00/85/65/466008565.db2.gz LOCAPYRHRMKLCH-LLVKDONJSA-N 1 0 334.376 2.212 10 5 EEBERO CN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000366945467 466031567 /nfs/dbraw/zinc/03/15/67/466031567.db2.gz PFNOQJYUSPALIE-QGZVFWFLSA-N 1 0 333.388 2.060 10 5 EEBERO CCOc1cc(N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000338733231 466344416 /nfs/dbraw/zinc/34/44/16/466344416.db2.gz CWWJMGAQJJQTAZ-JKSUJKDBSA-N 1 0 335.404 2.293 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000367711729 466509693 /nfs/dbraw/zinc/50/96/93/466509693.db2.gz FFHUTVRXESAXAG-NWDGAFQWSA-N 1 0 334.376 2.124 10 5 EEBERO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000591680720 468502276 /nfs/dbraw/zinc/50/22/76/468502276.db2.gz AJCIGNPZFVSURL-NSHDSACASA-N 1 0 335.385 2.403 10 5 EEBERO COc1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423978112 466934647 /nfs/dbraw/zinc/93/46/47/466934647.db2.gz QFYVIILLCXAQKY-KBPBESRZSA-N 1 0 333.388 2.208 10 5 EEBERO O=[N+]([O-])c1cnc(NC[C@H](O)C[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000413054033 467161999 /nfs/dbraw/zinc/16/19/99/467161999.db2.gz MFINPNGFVIZJQG-NSHDSACASA-N 1 0 348.325 2.267 10 5 EEBERO COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000450958782 467216204 /nfs/dbraw/zinc/21/62/04/467216204.db2.gz WXWYSHULTVZUQJ-GFCCVEGCSA-N 1 0 336.392 2.004 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)C1CC1 ZINC000453269343 467473432 /nfs/dbraw/zinc/47/34/32/467473432.db2.gz RDDKRPXMUYOWOC-QZTJIDSGSA-N 1 0 347.459 2.352 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000589494949 468157301 /nfs/dbraw/zinc/15/73/01/468157301.db2.gz BYBIIMQSYAOKQM-GFCCVEGCSA-N 1 0 334.372 2.382 10 5 EEBERO Cn1cnc(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000592394114 468690009 /nfs/dbraw/zinc/69/00/09/468690009.db2.gz MSBYWSKEBTWSGZ-HNNXBMFYSA-N 1 0 329.404 2.267 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000595026346 468745152 /nfs/dbraw/zinc/74/51/52/468745152.db2.gz KYUFIXGIBMKFSG-UUIJZJDISA-N 1 0 333.388 2.263 10 5 EEBERO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601124124 468750956 /nfs/dbraw/zinc/75/09/56/468750956.db2.gz NGMUECOKHJCASB-CYBMUJFWSA-N 1 0 326.372 2.066 10 5 EEBERO CC[C@H](C)[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601170847 468769103 /nfs/dbraw/zinc/76/91/03/468769103.db2.gz DMAMYVIQYHPVJY-VIFPVBQESA-N 1 0 335.330 2.268 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000560181504 468772196 /nfs/dbraw/zinc/77/21/96/468772196.db2.gz BRIKRXSLSKBEOO-AWEZNQCLSA-N 1 0 335.404 2.484 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000601189623 468775950 /nfs/dbraw/zinc/77/59/50/468775950.db2.gz TWELCWUMQJHQSG-KRWDZBQOSA-N 1 0 330.388 2.036 10 5 EEBERO CCn1c(C)nc([N+](=O)[O-])c1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601224827 468788091 /nfs/dbraw/zinc/78/80/91/468788091.db2.gz BJLKGAGXXVUFMM-UHFFFAOYSA-N 1 0 333.396 2.326 10 5 EEBERO C[C@@H]1[C@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1C ZINC000593189680 468900195 /nfs/dbraw/zinc/90/01/95/468900195.db2.gz YENXRRLYULCQQF-AXFHLTTASA-N 1 0 341.358 2.355 10 5 EEBERO CC(C)[C@@H]1CN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598571180 468918647 /nfs/dbraw/zinc/91/86/47/468918647.db2.gz HMDNNRXKLPVCJA-NSHDSACASA-N 1 0 343.330 2.266 10 5 EEBERO COc1cc(C[NH2+][C@@H](CO)C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595616331 468925415 /nfs/dbraw/zinc/92/54/15/468925415.db2.gz MKZIOBMCYAJTCE-NSHDSACASA-N 1 0 346.330 2.455 10 5 EEBERO COc1ccc(OCCN2CCO[C@](C)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595618986 468926606 /nfs/dbraw/zinc/92/66/06/468926606.db2.gz XMBLERSMQCNBPM-KRWDZBQOSA-N 1 0 336.388 2.483 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595632329 468931697 /nfs/dbraw/zinc/93/16/97/468931697.db2.gz NPQDKSDVADOZQC-KBRIMQKVSA-N 1 0 338.404 2.129 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000598716893 468972098 /nfs/dbraw/zinc/97/20/98/468972098.db2.gz VCKOEXVBWOTICW-UHFFFAOYSA-N 1 0 342.193 2.180 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595754417 468989872 /nfs/dbraw/zinc/98/98/72/468989872.db2.gz BCYRXULMMBBCQO-UKRRQHHQSA-N 1 0 326.368 2.406 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4COC[C@H]4C3)n2)cc1 ZINC000595836575 469033526 /nfs/dbraw/zinc/03/35/26/469033526.db2.gz WSCFHEQRUOVPEI-CHWSQXEVSA-N 1 0 330.344 2.113 10 5 EEBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000598975977 469073694 /nfs/dbraw/zinc/07/36/94/469073694.db2.gz LJZCKYFKMKDMMU-QGZVFWFLSA-N 1 0 346.431 2.453 10 5 EEBERO C[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000599038419 469095565 /nfs/dbraw/zinc/09/55/65/469095565.db2.gz QCVXPWYSSPLMLC-CYBMUJFWSA-N 1 0 329.404 2.191 10 5 EEBERO CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596069593 469138907 /nfs/dbraw/zinc/13/89/07/469138907.db2.gz NDFCDPCJDMVOKY-NOLJZWGESA-N 1 0 338.404 2.270 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000611616384 469293637 /nfs/dbraw/zinc/29/36/37/469293637.db2.gz JKAGUVUXSVHHJB-CQSZACIVSA-N 1 0 333.436 2.187 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CCO1 ZINC000596567972 469303194 /nfs/dbraw/zinc/30/31/94/469303194.db2.gz XACANRSQKBQWMV-OAHLLOKOSA-N 1 0 348.447 2.416 10 5 EEBERO COc1cccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000618092051 469892674 /nfs/dbraw/zinc/89/26/74/469892674.db2.gz XSFNQIIPCREXHU-UHFFFAOYSA-N 1 0 339.311 2.436 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595829433 485610045 /nfs/dbraw/zinc/61/00/45/485610045.db2.gz HTULLQMJVYKPRF-UONOGXRCSA-N 1 0 333.388 2.200 10 5 EEBERO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000742254830 577870187 /nfs/dbraw/zinc/87/01/87/577870187.db2.gz SZMXPOYUGVVSPH-UHFFFAOYSA-N 1 0 334.376 2.082 10 5 EEBERO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1CC[NH3+] ZINC000723885088 676818122 /nfs/dbraw/zinc/81/81/22/676818122.db2.gz ZZGJMOWROLIBSB-RKDXNWHRSA-N 1 0 329.198 2.173 10 5 EEBERO C[NH2+][C@@H](C)CNC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000261836332 681659151 /nfs/dbraw/zinc/65/91/51/681659151.db2.gz VUBUCGUDZXWYNK-STQMWFEESA-N 1 0 334.420 2.169 10 5 EEBERO CC(C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@H](C)O ZINC000128581902 693875488 /nfs/dbraw/zinc/87/54/88/693875488.db2.gz LBFMKYIQIVTEJI-NSHDSACASA-N 1 0 327.356 2.154 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000898824151 693474699 /nfs/dbraw/zinc/47/46/99/693474699.db2.gz CIHDTABGKDGTEL-CABCVRRESA-N 1 0 335.379 2.265 10 5 EEBERO CCc1oncc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001731958353 1179199561 /nfs/dbraw/zinc/19/95/61/1179199561.db2.gz HPOCWCSBGDIKRE-UHFFFAOYSA-N 1 0 338.389 2.069 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cncs1 ZINC001483717909 1190812573 /nfs/dbraw/zinc/81/25/73/1190812573.db2.gz CKZVMJVGKWMTAY-UHFFFAOYSA-N 1 0 332.385 2.104 10 5 EEBERO Cc1c(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)ccn1C ZINC001483765574 1190999896 /nfs/dbraw/zinc/99/98/96/1190999896.db2.gz OHFNHGBAJNAPPB-UHFFFAOYSA-N 1 0 342.399 2.294 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(CCCO)CC2)c1 ZINC000811489069 1200082476 /nfs/dbraw/zinc/08/24/76/1200082476.db2.gz VECMBZKYSCCRAR-UHFFFAOYSA-N 1 0 336.388 2.366 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000880180518 1201413657 /nfs/dbraw/zinc/41/36/57/1201413657.db2.gz SRPSSDGDHXIZGK-WBVHZDCISA-N 1 0 334.372 2.391 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000867681292 1201657794 /nfs/dbraw/zinc/65/77/94/1201657794.db2.gz BSWIGVOGKOLLCS-UHFFFAOYSA-N 1 0 341.433 2.008 10 5 EEBERO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000867743123 1201671263 /nfs/dbraw/zinc/67/12/63/1201671263.db2.gz JRHURAATWFFMEY-UHFFFAOYSA-N 1 0 347.462 2.198 10 5 EEBERO C[C@]([NH3+])(C(=O)N[C@H]1C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000867943245 1201711057 /nfs/dbraw/zinc/71/10/57/1201711057.db2.gz QBNFJEYOXYXVLJ-SOLBZPMBSA-N 1 0 325.368 2.441 10 5 EEBERO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000868121027 1201747499 /nfs/dbraw/zinc/74/74/99/1201747499.db2.gz CXMNERFBXQPQDX-DUVNUKRYSA-N 1 0 332.404 2.391 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC(F)(F)F ZINC001275899167 1205579445 /nfs/dbraw/zinc/57/94/45/1205579445.db2.gz VOQJEPUIPAQOSO-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO C[C@H]1[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000928424872 1206381508 /nfs/dbraw/zinc/38/15/08/1206381508.db2.gz FXOOBTFWCPXBLM-IINYFYTJSA-N 1 0 325.796 2.390 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1C ZINC000928441701 1206384296 /nfs/dbraw/zinc/38/42/96/1206384296.db2.gz TUELDBIFFDYBLX-GZMMTYOYSA-N 1 0 329.303 2.019 10 5 EEBERO CC[C@@](O)(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000929986595 1206525532 /nfs/dbraw/zinc/52/55/32/1206525532.db2.gz HMZABJLYYXTDMJ-GXFFZTMASA-N 1 0 348.325 2.179 10 5 EEBERO CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1C[C@@H](C(N)=O)C1 ZINC000931266440 1206620350 /nfs/dbraw/zinc/62/03/50/1206620350.db2.gz MIPOIDXYRFOULC-DTORHVGOSA-N 1 0 342.193 2.053 10 5 EEBERO O=[N+]([O-])c1cccc(F)c1CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288009 1206622235 /nfs/dbraw/zinc/62/22/35/1206622235.db2.gz GTJSSWOOJAIBLS-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO COc1ccc(CN2CCC([N@@H+]3CCCOCC3)CC2)cc1[N+](=O)[O-] ZINC000931290972 1206622423 /nfs/dbraw/zinc/62/24/23/1206622423.db2.gz JGWYMRGDVWDMSZ-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO CCO[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000931296900 1206623029 /nfs/dbraw/zinc/62/30/29/1206623029.db2.gz CVODOBLDCYGPGA-JTQLQIEISA-N 1 0 344.799 2.336 10 5 EEBERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246233184 1212094710 /nfs/dbraw/zinc/09/47/10/1212094710.db2.gz GMWZKKGEDUMXBT-DZGCQCFKSA-N 1 0 336.388 2.292 10 5 EEBERO CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000901330492 1235555474 /nfs/dbraw/zinc/55/54/74/1235555474.db2.gz SGBGCPLXTKIWLH-HNNXBMFYSA-N 1 0 348.447 2.188 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N[C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468835 1240566436 /nfs/dbraw/zinc/56/64/36/1240566436.db2.gz OPGBBOSOFOJUGA-WFASDCNBSA-N 1 0 332.404 2.104 10 5 EEBERO [NH3+]CC12CC(C1)CN2Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852756078 1292187506 /nfs/dbraw/zinc/18/75/06/1292187506.db2.gz SXHDJFAEEVKRDI-UHFFFAOYSA-N 1 0 326.194 2.280 10 5 EEBERO C[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000857768369 1293911280 /nfs/dbraw/zinc/91/12/80/1293911280.db2.gz OYTOQCRPUYHUBJ-QWRGUYRKSA-N 1 0 343.330 2.010 10 5 EEBERO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000858471459 1294126435 /nfs/dbraw/zinc/12/64/35/1294126435.db2.gz CQNJIFXBQGPRHQ-MELADBBJSA-N 1 0 334.376 2.126 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000927151176 1297037570 /nfs/dbraw/zinc/03/75/70/1297037570.db2.gz QKKIFGMUUHLAKC-WCQYABFASA-N 1 0 345.403 2.330 10 5 EEBERO CC(C)=C(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001277027464 1300938915 /nfs/dbraw/zinc/93/89/15/1300938915.db2.gz WUUQPZVPTQNFRD-HDJSIYSDSA-N 1 0 349.435 2.059 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001124025429 1310808205 /nfs/dbraw/zinc/80/82/05/1310808205.db2.gz MWFZVHHLMKKPRZ-RRFJBIMHSA-N 1 0 347.415 2.129 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001291882384 1328343417 /nfs/dbraw/zinc/34/34/17/1328343417.db2.gz KNFLJVZJDATVIP-LBPRGKRZSA-N 1 0 337.807 2.391 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001304523683 1331388031 /nfs/dbraw/zinc/38/80/31/1331388031.db2.gz BKTCCWAYUWSXSX-CYBMUJFWSA-N 1 0 337.807 2.249 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(F)ccc1C ZINC001316891342 1331957303 /nfs/dbraw/zinc/95/73/03/1331957303.db2.gz XSFPRDJBXGZNRY-HZPDHXFCSA-N 1 0 337.395 2.128 10 5 EEBERO CCOCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001317116137 1332085527 /nfs/dbraw/zinc/08/55/27/1332085527.db2.gz WHWVNQABKXOAFL-GASCZTMLSA-N 1 0 347.415 2.148 10 5 EEBERO Cc1ccnc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001322494345 1333271746 /nfs/dbraw/zinc/27/17/46/1333271746.db2.gz VOROJEDPBNOSOX-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO C[NH+]1CCN(C(C)(C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC001324327537 1333658963 /nfs/dbraw/zinc/65/89/63/1333658963.db2.gz PCKWNYBPKOYITM-UHFFFAOYSA-N 1 0 343.431 2.003 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001330324397 1334823541 /nfs/dbraw/zinc/82/35/41/1334823541.db2.gz UBMGCZMVWSQAOZ-SECBINFHSA-N 1 0 333.314 2.022 10 5 EEBERO COCCC(=O)N1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001330992308 1334942847 /nfs/dbraw/zinc/94/28/47/1334942847.db2.gz YGHSDZLMPVCEAX-UHFFFAOYSA-N 1 0 341.433 2.116 10 5 EEBERO C[C@H]1C[C@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000848583995 1338725317 /nfs/dbraw/zinc/72/53/17/1338725317.db2.gz LBCVEWDURZWNQU-WDEREUQCSA-N 1 0 343.330 2.165 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001616345808 1352328329 /nfs/dbraw/zinc/32/83/29/1352328329.db2.gz IVRSZAMVXHJWJX-HNNXBMFYSA-N 1 0 333.388 2.057 10 5 EEBERO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001625432388 1352448841 /nfs/dbraw/zinc/44/88/41/1352448841.db2.gz HIELJLBSLQCEAM-UHFFFAOYSA-N 1 0 325.796 2.343 10 5 EEBERO Nc1c(C(=O)NCC[NH+]2CCCC2)cc2ccccc2c1[N+](=O)[O-] ZINC001628986753 1352546659 /nfs/dbraw/zinc/54/66/59/1352546659.db2.gz MZGLZYREVIMWCA-UHFFFAOYSA-N 1 0 328.372 2.156 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2C[NH+]3CCC2CC3)c1 ZINC001646288948 1352825655 /nfs/dbraw/zinc/82/56/55/1352825655.db2.gz PFYGADXEDFZSHV-HNNXBMFYSA-N 1 0 347.415 2.130 10 5 EEBERO Nc1cc(CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001648329190 1353424936 /nfs/dbraw/zinc/42/49/36/1353424936.db2.gz YUHVUTFEBDOGDX-UHFFFAOYSA-N 1 0 343.387 2.123 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC001648557562 1353434008 /nfs/dbraw/zinc/43/40/08/1353434008.db2.gz YMDFESXSGPOPSC-INIZCTEOSA-N 1 0 326.356 2.330 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1cccnc1 ZINC001673139433 1354118705 /nfs/dbraw/zinc/11/87/05/1354118705.db2.gz SBNQDTWGQVATMS-UHFFFAOYSA-N 1 0 340.383 2.432 10 5 EEBERO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001654653402 1354154613 /nfs/dbraw/zinc/15/46/13/1354154613.db2.gz NFLOXKFELQSSKP-LBPRGKRZSA-N 1 0 335.379 2.362 10 5 EEBERO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001655611167 1354179575 /nfs/dbraw/zinc/17/95/75/1354179575.db2.gz YLAUBMIGNALOKR-OCCSQVGLSA-N 1 0 339.348 2.034 10 5 EEBERO O=[N+]([O-])c1cc(Cl)c(N2CC([NH2+][C@@H]3CCOC3)C2)c(Cl)c1 ZINC001655895042 1354189128 /nfs/dbraw/zinc/18/91/28/1354189128.db2.gz SHBXQMPCAYYYGG-MRVPVSSYSA-N 1 0 332.187 2.469 10 5 EEBERO O=C(CC[NH2+][C@H](CO)c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC001657899368 1354349671 /nfs/dbraw/zinc/34/96/71/1354349671.db2.gz GZJXLCQPRFZRRV-MRXNPFEDSA-N 1 0 347.346 2.386 10 5 EEBERO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001658889307 1354368659 /nfs/dbraw/zinc/36/86/59/1354368659.db2.gz CSQHLYKPSZACQL-UHFFFAOYSA-N 1 0 334.420 2.197 10 5 EEBERO COc1ccc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])c(OC)c1 ZINC001660632039 1354505350 /nfs/dbraw/zinc/50/53/50/1354505350.db2.gz SRZGIGQOLBUGMY-LLVKDONJSA-N 1 0 334.376 2.468 10 5 EEBERO Cc1conc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001670304820 1356315649 /nfs/dbraw/zinc/31/56/49/1356315649.db2.gz OFYLCKXFRSTBAN-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC(=O)N1CCC(OCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001675145124 1356938236 /nfs/dbraw/zinc/93/82/36/1356938236.db2.gz VGASRKSWILDIHS-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO CC(C)(C)C(=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001675726201 1357043292 /nfs/dbraw/zinc/04/32/92/1357043292.db2.gz FZMBHVPYQHGUCV-HDJSIYSDSA-N 1 0 347.415 2.194 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C12CC[NH+](CC1)C2 ZINC000907800266 784876375 /nfs/dbraw/zinc/87/63/75/784876375.db2.gz HZSZTVGYZCSFKQ-UHFFFAOYSA-N 1 0 343.305 2.326 10 5 EEBERO Cc1c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818563375 785294411 /nfs/dbraw/zinc/29/44/11/785294411.db2.gz NSZXPMJSBPMQFD-LBPRGKRZSA-N 1 0 348.359 2.086 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCn2ccnc21 ZINC000824526373 788201645 /nfs/dbraw/zinc/20/16/45/788201645.db2.gz KHBSAWCFFLLDQG-SMDDNHRTSA-N 1 0 329.360 2.243 10 5 EEBERO C[N@@H+]1CC[C@@H](CC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913386628 788834450 /nfs/dbraw/zinc/83/44/50/788834450.db2.gz XMRKGRGRSPOILJ-VIFPVBQESA-N 1 0 329.759 2.345 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844433987 789120085 /nfs/dbraw/zinc/12/00/85/789120085.db2.gz PGTZHZKYGLZPQF-UKRRQHHQSA-N 1 0 342.342 2.456 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000844654308 789276900 /nfs/dbraw/zinc/27/69/00/789276900.db2.gz PNCYECYNSMQARM-UHFFFAOYSA-N 1 0 347.419 2.039 10 5 EEBERO O=C1C[C@H](CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CN1 ZINC000922780720 801867762 /nfs/dbraw/zinc/86/77/62/801867762.db2.gz DQMVXOJMIJWIQH-NSHDSACASA-N 1 0 346.412 2.334 10 5 EEBERO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793608080 810431202 /nfs/dbraw/zinc/43/12/02/810431202.db2.gz HPBNMLIFDBHCHU-RISCZKNCSA-N 1 0 330.812 2.496 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001436626732 1088074091 /nfs/dbraw/zinc/07/40/91/1088074091.db2.gz GEHFDGGKHURHRI-UHFFFAOYSA-N 1 0 326.312 2.181 10 5 EEBERO CC(C)(C)[NH2+]CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001458193286 1109842777 /nfs/dbraw/zinc/84/27/77/1109842777.db2.gz GGMDYTIBMJWSFO-UHFFFAOYSA-N 1 0 333.348 2.273 10 5 EEBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001540499384 1124084713 /nfs/dbraw/zinc/08/47/13/1124084713.db2.gz NMLOAIONNCWFQT-UHFFFAOYSA-N 1 0 344.346 2.400 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccsc1 ZINC001540729804 1124091786 /nfs/dbraw/zinc/09/17/86/1124091786.db2.gz JHYPSWMHKRDUTD-CQSZACIVSA-N 1 0 334.401 2.271 10 5 EEBERO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001540755276 1124092517 /nfs/dbraw/zinc/09/25/17/1124092517.db2.gz BVLKILBDXZLSGJ-UHFFFAOYSA-N 1 0 337.424 2.012 10 5 EEBERO Cc1ocnc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001569185689 1125152315 /nfs/dbraw/zinc/15/23/15/1125152315.db2.gz FMVGMIKCBZPOAS-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CN(c1ncc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000053250804 214172714 /nfs/dbraw/zinc/17/27/14/214172714.db2.gz VTEJOTLPOTVSPW-SNVBAGLBSA-N 1 0 329.198 2.283 10 5 EEBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178629974 232321108 /nfs/dbraw/zinc/32/11/08/232321108.db2.gz YFBJILHNEXVLDH-IUODEOHRSA-N 1 0 343.387 2.486 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000184219996 235336144 /nfs/dbraw/zinc/33/61/44/235336144.db2.gz IFSSBJRBBGSVSK-UHFFFAOYSA-N 1 0 348.447 2.049 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000191881457 237275237 /nfs/dbraw/zinc/27/52/37/237275237.db2.gz LCWBGUQBGOFDSP-UHFFFAOYSA-N 1 0 337.424 2.005 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268772850 252224151 /nfs/dbraw/zinc/22/41/51/252224151.db2.gz YPGDBBDSHWRZAI-CQSZACIVSA-N 1 0 328.372 2.269 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000267112372 256028249 /nfs/dbraw/zinc/02/82/49/256028249.db2.gz YSNXDHVOMALSDN-UHFFFAOYSA-N 1 0 347.419 2.298 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268161254 256120509 /nfs/dbraw/zinc/12/05/09/256120509.db2.gz YFUYHMKSUYXLCU-LBPRGKRZSA-N 1 0 326.784 2.142 10 5 EEBERO COc1cccc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000185367872 533573555 /nfs/dbraw/zinc/57/35/55/533573555.db2.gz XSZYKGYUZOTDKP-CYBMUJFWSA-N 1 0 337.420 2.132 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000127942420 292333078 /nfs/dbraw/zinc/33/30/78/292333078.db2.gz KZRMHAAFVUALNH-ZDUSSCGKSA-N 1 0 334.420 2.256 10 5 EEBERO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000344426680 161226615 /nfs/dbraw/zinc/22/66/15/161226615.db2.gz ZLZZSOIXMAKVLO-OAHLLOKOSA-N 1 0 337.807 2.343 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](CO)c1ccsc1 ZINC000352023065 162033328 /nfs/dbraw/zinc/03/33/28/162033328.db2.gz UBFHFKAQQGPHEA-GFCCVEGCSA-N 1 0 335.385 2.226 10 5 EEBERO CCn1nccc1CN(C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000355478516 163204027 /nfs/dbraw/zinc/20/40/27/163204027.db2.gz XBBRFWNBRIRGPN-FNORWQNLSA-N 1 0 330.388 2.319 10 5 EEBERO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000358972825 164026553 /nfs/dbraw/zinc/02/65/53/164026553.db2.gz HBCFZPFBDRQFCZ-LLVKDONJSA-N 1 0 343.330 2.362 10 5 EEBERO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000369676598 166312007 /nfs/dbraw/zinc/31/20/07/166312007.db2.gz QTUHTGODRNHZKC-UHFFFAOYSA-N 1 0 328.372 2.471 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000280712307 269385741 /nfs/dbraw/zinc/38/57/41/269385741.db2.gz HVXULBUBJYHQNT-ZDUSSCGKSA-N 1 0 347.419 2.298 10 5 EEBERO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]21 ZINC000153139726 277131372 /nfs/dbraw/zinc/13/13/72/277131372.db2.gz WLYKPYDNDZNFJT-STQMWFEESA-N 1 0 331.294 2.133 10 5 EEBERO COc1cccc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000185373641 278015720 /nfs/dbraw/zinc/01/57/20/278015720.db2.gz GFINFWQYUXPNRB-UHFFFAOYSA-N 1 0 345.403 2.049 10 5 EEBERO CC[C@@H](C)[NH+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000296116094 293895955 /nfs/dbraw/zinc/89/59/55/293895955.db2.gz VPFQEDRECVAWED-GFCCVEGCSA-N 1 0 336.392 2.005 10 5 EEBERO COC(=O)c1cc(N2CC[NH+](CC(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000301670411 294881021 /nfs/dbraw/zinc/88/10/21/294881021.db2.gz FDTOUGWCPLOABO-UHFFFAOYSA-N 1 0 335.404 2.468 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186544367 303584474 /nfs/dbraw/zinc/58/44/74/303584474.db2.gz DXUFKCBTXNATOB-CYBMUJFWSA-N 1 0 332.404 2.140 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415648956 313159977 /nfs/dbraw/zinc/15/99/77/313159977.db2.gz CRIYWMLOROUOKB-DGCLKSJQSA-N 1 0 334.376 2.209 10 5 EEBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418587955 313853505 /nfs/dbraw/zinc/85/35/05/313853505.db2.gz HIVHPQPMVKDJMS-LRDDRELGSA-N 1 0 332.404 2.267 10 5 EEBERO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1OCC[NH+](C)C ZINC000560509633 318798771 /nfs/dbraw/zinc/79/87/71/318798771.db2.gz KWPHOPXWORIUPK-UHFFFAOYSA-N 1 0 344.371 2.491 10 5 EEBERO C[NH+]1CCN(C[C@@H](Nc2ccc([N+](=O)[O-])nc2)c2ccccc2)CC1 ZINC000580766483 324124707 /nfs/dbraw/zinc/12/47/07/324124707.db2.gz HTBUUUZTNDUDBU-QGZVFWFLSA-N 1 0 341.415 2.390 10 5 EEBERO C[C@H]1[C@@H](O)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000296447022 465197959 /nfs/dbraw/zinc/19/79/59/465197959.db2.gz WVMHOZKKKPKWFI-ZANVPECISA-N 1 0 327.768 2.032 10 5 EEBERO Cn1cc([C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C2(CO)CCC2)cn1 ZINC000590603795 468284238 /nfs/dbraw/zinc/28/42/38/468284238.db2.gz RQPBJBUUYPHRMD-MRXNPFEDSA-N 1 0 330.388 2.322 10 5 EEBERO CC[C@@H](C)[NH+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000590661403 468298278 /nfs/dbraw/zinc/29/82/78/468298278.db2.gz CJIHYKMCNGGAQS-CYBMUJFWSA-N 1 0 335.404 2.298 10 5 EEBERO C[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000068906299 463187990 /nfs/dbraw/zinc/18/79/90/463187990.db2.gz LJSPFEJXZSDIDL-UHFFFAOYSA-N 1 0 335.404 2.354 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159008638 463262991 /nfs/dbraw/zinc/26/29/91/463262991.db2.gz XHVPGKHAUHOZGR-OKILXGFUSA-N 1 0 330.388 2.136 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000125651667 463565497 /nfs/dbraw/zinc/56/54/97/463565497.db2.gz RAUVTAZXHAXYFH-LBPRGKRZSA-N 1 0 328.372 2.215 10 5 EEBERO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnn4ccccc34)C2)nc1 ZINC000179819321 464194713 /nfs/dbraw/zinc/19/47/13/464194713.db2.gz ITRLEAUJSSYCRH-CQSZACIVSA-N 1 0 338.371 2.324 10 5 EEBERO CN(C)Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Cl ZINC000281166373 464356331 /nfs/dbraw/zinc/35/63/31/464356331.db2.gz BJPLDBBILOYXLS-UHFFFAOYSA-N 1 0 337.767 2.296 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000272220847 464524104 /nfs/dbraw/zinc/52/41/04/464524104.db2.gz KNJGYRTWIMKSLS-KOLCDFICSA-N 1 0 349.416 2.154 10 5 EEBERO C[C@H]1CC[C@@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599918823 468413273 /nfs/dbraw/zinc/41/32/73/468413273.db2.gz QVHSBRZKVWBUST-GXFFZTMASA-N 1 0 340.811 2.230 10 5 EEBERO CCn1nccc1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000276264503 464869793 /nfs/dbraw/zinc/86/97/93/464869793.db2.gz BSHRAXHICUVERX-UHFFFAOYSA-N 1 0 329.404 2.176 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183630354 464890151 /nfs/dbraw/zinc/89/01/51/464890151.db2.gz AJVJXZFGEGXEOA-AWEZNQCLSA-N 1 0 343.387 2.284 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000267294182 464925183 /nfs/dbraw/zinc/92/51/83/464925183.db2.gz YUMGWPDPBKPQKX-UWVGGRQHSA-N 1 0 341.209 2.425 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000286538593 464953456 /nfs/dbraw/zinc/95/34/56/464953456.db2.gz VOBGFXLCDYKTRH-OCCSQVGLSA-N 1 0 348.403 2.148 10 5 EEBERO C[C@H]1C[N@@H+](C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CCO1 ZINC000301743171 466022678 /nfs/dbraw/zinc/02/26/78/466022678.db2.gz MJPTUSWUROZWIE-NSHDSACASA-N 1 0 340.811 2.333 10 5 EEBERO COc1cc(C[NH2+]CC[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000349293906 466053982 /nfs/dbraw/zinc/05/39/82/466053982.db2.gz GVHYDUJNWFDSKY-LBPRGKRZSA-N 1 0 338.282 2.015 10 5 EEBERO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000353945967 466272734 /nfs/dbraw/zinc/27/27/34/466272734.db2.gz DARBYWGRNXWQEN-DOMZBBRYSA-N 1 0 341.433 2.060 10 5 EEBERO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347018722 466326174 /nfs/dbraw/zinc/32/61/74/466326174.db2.gz WMNJPFJDUQHZKI-MRXNPFEDSA-N 1 0 342.399 2.245 10 5 EEBERO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338873924 466447622 /nfs/dbraw/zinc/44/76/22/466447622.db2.gz XZMZLZWMDYJPBA-NEPJUHHUSA-N 1 0 328.372 2.433 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000372860323 466619475 /nfs/dbraw/zinc/61/94/75/466619475.db2.gz UUUWXLWBRATKCK-SWLSCSKDSA-N 1 0 333.388 2.094 10 5 EEBERO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000372931557 466641039 /nfs/dbraw/zinc/64/10/39/466641039.db2.gz WMPIMKLAOAHAPG-CABCVRRESA-N 1 0 336.388 2.446 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)nn21 ZINC000373744608 466907229 /nfs/dbraw/zinc/90/72/29/466907229.db2.gz JIRQLIKCQOGQNV-AWEZNQCLSA-N 1 0 344.419 2.847 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000433773354 467352010 /nfs/dbraw/zinc/35/20/10/467352010.db2.gz GFCHUFCPOGBITE-TXEJJXNPSA-N 1 0 337.424 2.434 10 5 EEBERO CCOc1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449722414 467699526 /nfs/dbraw/zinc/69/95/26/467699526.db2.gz PQCVWFCBCFFCSU-LLVKDONJSA-N 1 0 335.282 2.003 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](OC(F)F)C1 ZINC000549078714 468169797 /nfs/dbraw/zinc/16/97/97/468169797.db2.gz DVKLCOPPGYNHTE-JTQLQIEISA-N 1 0 329.303 2.155 10 5 EEBERO O=C(CC[N@@H+]1CC[C@H](OC(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000549408500 468183273 /nfs/dbraw/zinc/18/32/73/468183273.db2.gz GCMIKASBAGLCTR-LBPRGKRZSA-N 1 0 329.303 2.237 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590010376 468204771 /nfs/dbraw/zinc/20/47/71/468204771.db2.gz GNWSGKWRAPZWCH-CZUORRHYSA-N 1 0 328.372 2.386 10 5 EEBERO COc1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000567871609 468228642 /nfs/dbraw/zinc/22/86/42/468228642.db2.gz XKVKGEBNLULISK-KRWDZBQOSA-N 1 0 335.404 2.188 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000592489045 468709979 /nfs/dbraw/zinc/70/99/79/468709979.db2.gz DKWXPQGKTSCWGZ-QGZVFWFLSA-N 1 0 343.387 2.220 10 5 EEBERO CS(=O)(=O)CC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594951005 468730498 /nfs/dbraw/zinc/73/04/98/468730498.db2.gz MQBNNWJEZFEPPC-UHFFFAOYSA-N 1 0 330.381 2.038 10 5 EEBERO CN(C)CC[NH+]1CCC(Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601103498 468741764 /nfs/dbraw/zinc/74/17/64/468741764.db2.gz AUYBSLZMFWFFCX-UHFFFAOYSA-N 1 0 343.431 2.003 10 5 EEBERO CCC1([NH+](C)C)CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000601229455 468789843 /nfs/dbraw/zinc/78/98/43/468789843.db2.gz QFMLBKQCJNBYCY-UHFFFAOYSA-N 1 0 336.392 2.087 10 5 EEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595260794 468796419 /nfs/dbraw/zinc/79/64/19/468796419.db2.gz KYOUQUJUFCZKKB-VXGBXAGGSA-N 1 0 327.381 2.218 10 5 EEBERO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601427537 468869197 /nfs/dbraw/zinc/86/91/97/468869197.db2.gz CHHLFVVAUZWUSU-UHFFFAOYSA-N 1 0 347.462 2.070 10 5 EEBERO Cc1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000598541238 468907540 /nfs/dbraw/zinc/90/75/40/468907540.db2.gz HJWNJEGJIWUCIA-HNNXBMFYSA-N 1 0 335.404 2.086 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608291 468920872 /nfs/dbraw/zinc/92/08/72/468920872.db2.gz NFCSYRGKTQZPMJ-ZDUSSCGKSA-N 1 0 331.376 2.107 10 5 EEBERO C[C@]1(C2CC2)CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000595618967 468926740 /nfs/dbraw/zinc/92/67/40/468926740.db2.gz XFPBHTMVDPLWNF-QGZVFWFLSA-N 1 0 334.372 2.462 10 5 EEBERO COC(=O)c1ccnc(NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000598615038 468933850 /nfs/dbraw/zinc/93/38/50/468933850.db2.gz QFKPBWSMBQBMNU-UHFFFAOYSA-N 1 0 336.392 2.310 10 5 EEBERO COC(=O)c1ccnc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000598635621 468940529 /nfs/dbraw/zinc/94/05/29/468940529.db2.gz XPTCCDULWXDTOD-LLVKDONJSA-N 1 0 336.392 2.309 10 5 EEBERO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000595660356 468943287 /nfs/dbraw/zinc/94/32/87/468943287.db2.gz VPWGMQHTPZQHAM-NWDGAFQWSA-N 1 0 348.277 2.034 10 5 EEBERO COCC[N@@H+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593339511 468943845 /nfs/dbraw/zinc/94/38/45/468943845.db2.gz QDAICKHWYYVDOF-AWEZNQCLSA-N 1 0 349.431 2.268 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)c1 ZINC000595863308 469051898 /nfs/dbraw/zinc/05/18/98/469051898.db2.gz NDXBEXWZXFDJJQ-HNNXBMFYSA-N 1 0 339.823 2.279 10 5 EEBERO CC1(C)CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000599074201 469107938 /nfs/dbraw/zinc/10/79/38/469107938.db2.gz UJSHRYNGSIIOGJ-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO CC(C)(C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000601972939 469121476 /nfs/dbraw/zinc/12/14/76/469121476.db2.gz ASNMOOXOBWRRDL-HDICACEKSA-N 1 0 331.416 2.330 10 5 EEBERO CC1(C)[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000596065083 469135993 /nfs/dbraw/zinc/13/59/93/469135993.db2.gz DDBUIKLRURLJMN-LBPRGKRZSA-N 1 0 348.371 2.249 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCOC3(C[NH2+]C3)C2)s1 ZINC000596108069 469157715 /nfs/dbraw/zinc/15/77/15/469157715.db2.gz UFZYFBKCNHTRLB-UHFFFAOYSA-N 1 0 345.424 2.498 10 5 EEBERO CCN(C(=O)NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000596186565 469191946 /nfs/dbraw/zinc/19/19/46/469191946.db2.gz KITHJABDWLVIFY-MRXNPFEDSA-N 1 0 334.420 2.263 10 5 EEBERO C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000596207750 469202200 /nfs/dbraw/zinc/20/22/00/469202200.db2.gz FYYKLFJOWPRCCO-SNVBAGLBSA-N 1 0 333.310 2.116 10 5 EEBERO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599544322 469287941 /nfs/dbraw/zinc/28/79/41/469287941.db2.gz CSDHKIOIVLMBNR-HNNXBMFYSA-N 1 0 338.379 2.487 10 5 EEBERO C[NH2+]CCOCCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000599604393 469306632 /nfs/dbraw/zinc/30/66/32/469306632.db2.gz NLOPPBCXHGHMGB-UHFFFAOYSA-N 1 0 338.408 2.250 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000610105300 469981043 /nfs/dbraw/zinc/98/10/43/469981043.db2.gz QMCWHGYYXYVYLE-CQSZACIVSA-N 1 0 349.435 2.099 10 5 EEBERO C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721275 534125411 /nfs/dbraw/zinc/12/54/11/534125411.db2.gz BEASUQXTYNHXBQ-ABAIWWIYSA-N 1 0 338.795 2.499 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000192473976 528188543 /nfs/dbraw/zinc/18/85/43/528188543.db2.gz ZRWMLQYGSUSQRT-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO CC[C@@H](O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000174070483 529228650 /nfs/dbraw/zinc/22/86/50/529228650.db2.gz SZDWBIVHCZLRDY-CQSZACIVSA-N 1 0 327.812 2.137 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C(C2CCCC2)C2CCCC2)c1 ZINC000775618095 577441086 /nfs/dbraw/zinc/44/10/86/577441086.db2.gz WAVDWUJTKROCNO-MRXNPFEDSA-N 1 0 336.436 2.491 10 5 EEBERO O=C1COc2cc([N+](=O)[O-])c(NCC3CC[NH+](C4CC4)CC3)cc2N1 ZINC000770166146 577591681 /nfs/dbraw/zinc/59/16/81/577591681.db2.gz GTKZWYVJMIHSSK-UHFFFAOYSA-N 1 0 346.387 2.212 10 5 EEBERO CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749690342 577980113 /nfs/dbraw/zinc/98/01/13/577980113.db2.gz OEYRJCGVKZUCPV-PKOBYXMFSA-N 1 0 343.427 2.391 10 5 EEBERO COc1c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC000898833688 693475455 /nfs/dbraw/zinc/47/54/55/693475455.db2.gz XALZTPGECIKVJP-KGLIPLIRSA-N 1 0 333.388 2.206 10 5 EEBERO COc1ccc(CC(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898840327 693488191 /nfs/dbraw/zinc/48/81/91/693488191.db2.gz ILVNINYFMBMTFO-JKSUJKDBSA-N 1 0 347.415 2.135 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC000898840375 693488235 /nfs/dbraw/zinc/48/82/35/693488235.db2.gz JBNCVEJCGVPSRF-GJZGRUSLSA-N 1 0 333.388 2.206 10 5 EEBERO CCc1nc(C)c(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001266345180 1176353528 /nfs/dbraw/zinc/35/35/28/1176353528.db2.gz XXLPUAGSKNRHKR-UHFFFAOYSA-N 1 0 346.387 2.315 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1O ZINC001266644436 1177045384 /nfs/dbraw/zinc/04/53/84/1177045384.db2.gz IYTWBUJAPPIBGM-UHFFFAOYSA-N 1 0 329.356 2.162 10 5 EEBERO CC[N@H+](CCNC(=O)c1c[nH]cc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001691052134 1177458161 /nfs/dbraw/zinc/45/81/61/1177458161.db2.gz GKCWASHFHAMZQH-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO CC[N@H+](CCNC(=O)c1cc[nH]c1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480970594 1179400002 /nfs/dbraw/zinc/40/00/02/1179400002.db2.gz VPCVODYYIVGTHD-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO COc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC001269847088 1184665829 /nfs/dbraw/zinc/66/58/29/1184665829.db2.gz RCHWFHNBKVBPPR-WDEREUQCSA-N 1 0 337.351 2.099 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](CCC2CC2)CC2CC2)CC1 ZINC001670985560 1193538875 /nfs/dbraw/zinc/53/88/75/1193538875.db2.gz UYQFZYFECHMKHH-IAGOWNOFSA-N 1 0 335.448 2.155 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)nc1 ZINC001483723476 1190820304 /nfs/dbraw/zinc/82/03/04/1190820304.db2.gz PCTUPCZHOXWIOF-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccn1 ZINC001273237389 1197641544 /nfs/dbraw/zinc/64/15/44/1197641544.db2.gz OTKGWRLAGWUUMN-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO C[C@](O)(C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000872203084 1198084683 /nfs/dbraw/zinc/08/46/83/1198084683.db2.gz UVOOKXSHGIMOLZ-ZFWWWQNUSA-N 1 0 328.796 2.250 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000865996524 1198448643 /nfs/dbraw/zinc/44/86/43/1198448643.db2.gz IYIBPDZXEUAHKQ-LBPRGKRZSA-N 1 0 330.388 2.400 10 5 EEBERO CC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000870257364 1200578484 /nfs/dbraw/zinc/57/84/84/1200578484.db2.gz RWUHKLUZVBNSRU-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO CC(C)[C@H](C[NH+](C)C)OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000870571670 1200748032 /nfs/dbraw/zinc/74/80/32/1200748032.db2.gz QXYORNAODLKTND-HNNXBMFYSA-N 1 0 338.360 2.109 10 5 EEBERO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000870996646 1200998813 /nfs/dbraw/zinc/99/88/13/1200998813.db2.gz KOOOHGRANNSZSG-QGZVFWFLSA-N 1 0 335.404 2.197 10 5 EEBERO Cc1cc(OCC(=O)N2CC[N@@H+](C)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000871156657 1201077096 /nfs/dbraw/zinc/07/70/96/1201077096.db2.gz HTRZGCYFZDEROE-UHFFFAOYSA-N 1 0 335.404 2.225 10 5 EEBERO COC(=O)c1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc(C)c1[N+](=O)[O-] ZINC000866204813 1201464036 /nfs/dbraw/zinc/46/40/36/1201464036.db2.gz GHKHUFCKSIUHPX-WFASDCNBSA-N 1 0 333.388 2.220 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[C@@H]21 ZINC000866204622 1201464094 /nfs/dbraw/zinc/46/40/94/1201464094.db2.gz FEFKEGWONFIQBO-OCCSQVGLSA-N 1 0 330.388 2.010 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000868396790 1201805395 /nfs/dbraw/zinc/80/53/95/1201805395.db2.gz NWALNIKCBWRQTK-DOMZBBRYSA-N 1 0 332.404 2.185 10 5 EEBERO CC(C)OCC(=O)N1CCC(C)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001274315065 1204994667 /nfs/dbraw/zinc/99/46/67/1204994667.db2.gz PBUMHHCGCWPDSL-UHFFFAOYSA-N 1 0 349.431 2.491 10 5 EEBERO C[N@@H+]1CC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000925405178 1206108121 /nfs/dbraw/zinc/10/81/21/1206108121.db2.gz VJQBASMSZOKWHG-VIFPVBQESA-N 1 0 330.291 2.022 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)cc1 ZINC000926150444 1206198943 /nfs/dbraw/zinc/19/89/43/1206198943.db2.gz KFNYAJUPWNHNFB-WOSRLPQWSA-N 1 0 336.413 2.313 10 5 EEBERO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928104880 1206345245 /nfs/dbraw/zinc/34/52/45/1206345245.db2.gz XKNDATOBSCDZGY-IDSJHHPBSA-N 1 0 347.440 2.304 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Br)[C@@H]2C1 ZINC000930543832 1206566232 /nfs/dbraw/zinc/56/62/32/1206566232.db2.gz HLJLPMLMQOIFNZ-QMTHXVAHSA-N 1 0 340.221 2.493 10 5 EEBERO COc1ccc(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000930768231 1206581486 /nfs/dbraw/zinc/58/14/86/1206581486.db2.gz FNMLVYJODXBNMD-MEDUHNTESA-N 1 0 334.376 2.019 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827247323 1238683036 /nfs/dbraw/zinc/68/30/36/1238683036.db2.gz WCXOUAFRHYMMDL-QMCVQRASSA-N 1 0 329.400 2.251 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000903468467 1240564054 /nfs/dbraw/zinc/56/40/54/1240564054.db2.gz LMRPREMVDBBKOM-OAHLLOKOSA-N 1 0 332.404 2.106 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903529835 1240818427 /nfs/dbraw/zinc/81/84/27/1240818427.db2.gz ASVSRZQEUGPZBD-LBPRGKRZSA-N 1 0 340.811 2.261 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903974323 1242811321 /nfs/dbraw/zinc/81/13/21/1242811321.db2.gz OLRZCWMXUOFOJG-CYBMUJFWSA-N 1 0 339.823 2.497 10 5 EEBERO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ncnn21 ZINC000850499613 1277248090 /nfs/dbraw/zinc/24/80/90/1277248090.db2.gz SRZRPAVOXLHFDV-LRDDRELGSA-N 1 0 342.403 2.451 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1n[nH]cc1F ZINC001273559625 1279852341 /nfs/dbraw/zinc/85/23/41/1279852341.db2.gz BHSOJRSAAPSEOX-UHFFFAOYSA-N 1 0 349.366 2.051 10 5 EEBERO C[N@H+](CCCNC(=O)COC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001490183947 1291016169 /nfs/dbraw/zinc/01/61/69/1291016169.db2.gz MTTCEWHCCVXMDT-UHFFFAOYSA-N 1 0 337.420 2.348 10 5 EEBERO NC(=O)CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000853127032 1292290960 /nfs/dbraw/zinc/29/09/60/1292290960.db2.gz NOGDZOUOCZBSMA-OAHLLOKOSA-N 1 0 335.404 2.044 10 5 EEBERO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766596 1293911423 /nfs/dbraw/zinc/91/14/23/1293911423.db2.gz PQVRJLRNKQNYJQ-LBPRGKRZSA-N 1 0 343.330 2.071 10 5 EEBERO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000858475828 1294128097 /nfs/dbraw/zinc/12/80/97/1294128097.db2.gz LDZZFFPJNCICIM-BXUZGUMPSA-N 1 0 347.371 2.163 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000861350703 1295358568 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Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001291701854 1328318067 /nfs/dbraw/zinc/31/80/67/1328318067.db2.gz FDRYZILORNAQDS-UHFFFAOYSA-N 1 0 344.371 2.491 10 5 EEBERO C[NH+](C)C1(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC001296552696 1329900064 /nfs/dbraw/zinc/90/00/64/1329900064.db2.gz LHUMFEAEEXZNGO-UHFFFAOYSA-N 1 0 325.796 2.391 10 5 EEBERO CCc1ocnc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001317576746 1332305823 /nfs/dbraw/zinc/30/58/23/1332305823.db2.gz FMMQEHIMHPSHTM-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO CCCCC(=O)N1CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001328142370 1334404517 /nfs/dbraw/zinc/40/45/17/1334404517.db2.gz XNIZIKAPJHQTGC-UHFFFAOYSA-N 1 0 349.431 2.228 10 5 EEBERO Cc1ccc(CNC(=O)c2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001330649374 1334882206 /nfs/dbraw/zinc/88/22/06/1334882206.db2.gz YUINEBQSNSGLQK-UHFFFAOYSA-N 1 0 325.368 2.479 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000848025027 1338456348 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345.403 2.004 10 5 EEBERO CC1([NH+]2CCCC2)CCC(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001652099555 1354077651 /nfs/dbraw/zinc/07/76/51/1354077651.db2.gz STWGVYNQZDROLW-UHFFFAOYSA-N 1 0 347.419 2.099 10 5 EEBERO O=C(Cc1ccco1)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001656228995 1354217415 /nfs/dbraw/zinc/21/74/15/1354217415.db2.gz WQCGRJIFLYFSLS-AULYBMBSSA-N 1 0 349.412 2.476 10 5 EEBERO CCC[N@H+](CCNC(=O)c1n[nH]cc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001663660850 1355012609 /nfs/dbraw/zinc/01/26/09/1355012609.db2.gz CBNOCUHXEJQHHT-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc[nH]1 ZINC001667664074 1355776391 /nfs/dbraw/zinc/77/63/91/1355776391.db2.gz KGVQUYBHXHPMCE-UHFFFAOYSA-N 1 0 330.388 2.056 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccnc1 ZINC001668346075 1355927605 /nfs/dbraw/zinc/92/76/05/1355927605.db2.gz OZFGJXUYZHPYLT-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445338 759970111 /nfs/dbraw/zinc/97/01/11/759970111.db2.gz MNMIIPUHGZMFTI-AINHQSCGSA-N 1 0 347.415 2.225 10 5 EEBERO Cc1c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818563374 785294097 /nfs/dbraw/zinc/29/40/97/785294097.db2.gz NSZXPMJSBPMQFD-GFCCVEGCSA-N 1 0 348.359 2.086 10 5 EEBERO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000844646603 789291850 /nfs/dbraw/zinc/29/18/50/789291850.db2.gz VKRHSFAFUNHBOO-UTUOFQBUSA-N 1 0 339.367 2.052 10 5 EEBERO C[C@H]1C[C@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001148547357 792522436 /nfs/dbraw/zinc/52/24/36/792522436.db2.gz KNYDDKOXFSARNO-CMPLNLGQSA-N 1 0 325.796 2.390 10 5 EEBERO O=C(NC1CC[NH+](C2CCCC2)CC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001149020869 792854696 /nfs/dbraw/zinc/85/46/96/792854696.db2.gz XDHWIHVXVBATDJ-UHFFFAOYSA-N 1 0 341.799 2.108 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178710226 799600121 /nfs/dbraw/zinc/60/01/21/799600121.db2.gz XWTNVWZICNOHCV-OAHLLOKOSA-N 1 0 333.388 2.014 10 5 EEBERO C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788541058 807566543 /nfs/dbraw/zinc/56/65/43/807566543.db2.gz BRZSTJYPNAWGBI-OCCSQVGLSA-N 1 0 342.403 2.287 10 5 EEBERO Cc1ccn(C)c1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497575198 1102688831 /nfs/dbraw/zinc/68/88/31/1102688831.db2.gz VUIDEPPIOLWZDD-AATRIKPKSA-N 1 0 342.399 2.318 10 5 EEBERO Cc1cnoc1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001493433480 1108149075 /nfs/dbraw/zinc/14/90/75/1108149075.db2.gz MXJQXYQDHQSJTA-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO Cc1cnc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001493640079 1108443120 /nfs/dbraw/zinc/44/31/20/1108443120.db2.gz KYJNKJIOPPJSBO-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC001460778100 1110323739 /nfs/dbraw/zinc/32/37/39/1110323739.db2.gz SEBBMGJGKLLTSL-UHFFFAOYSA-N 1 0 349.431 2.336 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccsc1 ZINC001540729803 1124091883 /nfs/dbraw/zinc/09/18/83/1124091883.db2.gz JHYPSWMHKRDUTD-AWEZNQCLSA-N 1 0 334.401 2.271 10 5 EEBERO Cc1nc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001568499955 1124557187 /nfs/dbraw/zinc/55/71/87/1124557187.db2.gz YBXYJPYYBONKNT-UHFFFAOYSA-N 1 0 346.387 2.404 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000174964387 529406969 /nfs/dbraw/zinc/40/69/69/529406969.db2.gz ZJHLIHASBSSJPQ-ZIAGYGMSSA-N 1 0 333.388 2.302 10 5 EEBERO CN1CCO[C@H](C[NH2+]Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000112548361 529789801 /nfs/dbraw/zinc/78/98/01/529789801.db2.gz FHZWLYVKTDMKJE-MRXNPFEDSA-N 1 0 338.407 2.366 10 5 EEBERO C[C@H]([NH3+])[C@H](C)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000381793245 539939025 /nfs/dbraw/zinc/93/90/25/539939025.db2.gz SOSFTHFYJZLIHB-YUMQZZPRSA-N 1 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C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccccc1 ZINC000247985194 160335865 /nfs/dbraw/zinc/33/58/65/160335865.db2.gz IEGQFSWEOYRZCI-WMLDXEAASA-N 1 0 340.383 2.352 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342079385 161037542 /nfs/dbraw/zinc/03/75/42/161037542.db2.gz SCAKGTGRIIEFQT-JTQLQIEISA-N 1 0 337.405 2.122 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](CO)c1ccsc1 ZINC000352023066 162033430 /nfs/dbraw/zinc/03/34/30/162033430.db2.gz UBFHFKAQQGPHEA-LBPRGKRZSA-N 1 0 335.385 2.226 10 5 EEBERO Cc1c(CC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000368019833 166036889 /nfs/dbraw/zinc/03/68/89/166036889.db2.gz KRRBWKQFWDCEQU-JKSUJKDBSA-N 1 0 331.416 2.436 10 5 EEBERO O=[N+]([O-])c1ccc2nc(NC[C@H](O)C[NH+]3CCCCC3)ccc2c1 ZINC000170642756 226674694 /nfs/dbraw/zinc/67/46/94/226674694.db2.gz KKULUCJDWMBIBY-HNNXBMFYSA-N 1 0 330.388 2.402 10 5 EEBERO C[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000291865625 275347728 /nfs/dbraw/zinc/34/77/28/275347728.db2.gz ICROZGQBRXEJMD-CYBMUJFWSA-N 1 0 329.404 2.191 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000292212121 275394738 /nfs/dbraw/zinc/39/47/38/275394738.db2.gz UDQSEIBGTYODLM-KBXCAEBGSA-N 1 0 346.431 2.258 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415655973 313162839 /nfs/dbraw/zinc/16/28/39/313162839.db2.gz KSCVKQXDSRXMHV-CYBMUJFWSA-N 1 0 334.376 2.352 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418002021 313683945 /nfs/dbraw/zinc/68/39/45/313683945.db2.gz YDIDCGRWTMDWCJ-MFKMUULPSA-N 1 0 340.811 2.088 10 5 EEBERO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000547437949 318288354 /nfs/dbraw/zinc/28/83/54/318288354.db2.gz JOKIGFSVHLGWJT-LRDDRELGSA-N 1 0 328.372 2.411 10 5 EEBERO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000328497923 465061639 /nfs/dbraw/zinc/06/16/39/465061639.db2.gz RMSCEZSIEFUUJC-ZDUSSCGKSA-N 1 0 325.368 2.302 10 5 EEBERO C[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000341302333 465100633 /nfs/dbraw/zinc/10/06/33/465100633.db2.gz ZSJMHKXSVVURJX-SECBINFHSA-N 1 0 331.319 2.124 10 5 EEBERO Cc1n[nH]c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000354877370 465206980 /nfs/dbraw/zinc/20/69/80/465206980.db2.gz FRMAXECGSYYMCX-UHFFFAOYSA-N 1 0 335.408 2.034 10 5 EEBERO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccncc1 ZINC000097084005 463318766 /nfs/dbraw/zinc/31/87/66/463318766.db2.gz SWVXQVYGXYPJSL-GFCCVEGCSA-N 1 0 326.356 2.230 10 5 EEBERO CC[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000112080337 463690148 /nfs/dbraw/zinc/69/01/48/463690148.db2.gz NZDUYHFERLKHPI-KGLIPLIRSA-N 1 0 344.415 2.424 10 5 EEBERO CC(C)C[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185326291 463801722 /nfs/dbraw/zinc/80/17/22/463801722.db2.gz MYUINLYPOFREGE-AWEZNQCLSA-N 1 0 334.376 2.484 10 5 EEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000186374181 463986582 /nfs/dbraw/zinc/98/65/82/463986582.db2.gz GRCXKBNOOQRQGN-WYMLVPIESA-N 1 0 347.415 2.225 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)c1 ZINC000172803221 464146063 /nfs/dbraw/zinc/14/60/63/464146063.db2.gz ZMLYDNXGQRBSLP-OAHLLOKOSA-N 1 0 343.387 2.315 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180589886 464343614 /nfs/dbraw/zinc/34/36/14/464343614.db2.gz YWSYZZBFHVZWSQ-YPMHNXCESA-N 1 0 331.376 2.251 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000284977441 464414171 /nfs/dbraw/zinc/41/41/71/464414171.db2.gz XWERRNBWBGCBJU-ZBFHGGJFSA-N 1 0 335.404 2.009 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C[C@H]21 ZINC000285079475 464447799 /nfs/dbraw/zinc/44/77/99/464447799.db2.gz PPTBQBZBLZVTOM-OLZOCXBDSA-N 1 0 343.330 2.106 10 5 EEBERO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1CCO ZINC000190238479 464611165 /nfs/dbraw/zinc/61/11/65/464611165.db2.gz MIYPEMLCOQZBRN-AWEZNQCLSA-N 1 0 345.399 2.353 10 5 EEBERO COc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000253354099 464992061 /nfs/dbraw/zinc/99/20/61/464992061.db2.gz ZMHCGXSKEQEUNC-BXUZGUMPSA-N 1 0 335.404 2.370 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000351897540 465427081 /nfs/dbraw/zinc/42/70/81/465427081.db2.gz PLECRDRXHRGCAQ-CQSZACIVSA-N 1 0 335.404 2.484 10 5 EEBERO O=[N+]([O-])c1cc2ccccc2nc1NCCCC[NH+]1CCOCC1 ZINC000352362618 465520726 /nfs/dbraw/zinc/52/07/26/465520726.db2.gz WRTMXZPEAWAPBT-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EEBERO C[C@H]1C[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000597104164 468444499 /nfs/dbraw/zinc/44/44/99/468444499.db2.gz OPEOSWQUBVFERR-WPRPVWTQSA-N 1 0 341.799 2.435 10 5 EEBERO CS(=O)(=O)CC[C@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000366421549 465717060 /nfs/dbraw/zinc/71/70/60/465717060.db2.gz DMKZXVHLLKSCLZ-OAHLLOKOSA-N 1 0 340.445 2.427 10 5 EEBERO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCCCC1 ZINC000301085421 465897731 /nfs/dbraw/zinc/89/77/31/465897731.db2.gz KMLLHENRZTYZKY-OAHLLOKOSA-N 1 0 349.435 2.401 10 5 EEBERO C[C@]1(c2ccccc2)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000362712772 465963168 /nfs/dbraw/zinc/96/31/68/465963168.db2.gz XKDTUGVEJOVJFM-SFHVURJKSA-N 1 0 327.384 2.420 10 5 EEBERO Cc1ccncc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361425930 465985569 /nfs/dbraw/zinc/98/55/69/465985569.db2.gz PSNUJONOBYAJKY-HNNXBMFYSA-N 1 0 331.372 2.170 10 5 EEBERO CCOC(=O)c1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000600133887 468470227 /nfs/dbraw/zinc/47/02/27/468470227.db2.gz CNUOCLXLSSTWGF-UHFFFAOYSA-N 1 0 345.355 2.335 10 5 EEBERO Cc1cc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)on1 ZINC000353980229 466298325 /nfs/dbraw/zinc/29/83/25/466298325.db2.gz ALFVBZKSJBPZLJ-NSHDSACASA-N 1 0 332.360 2.441 10 5 EEBERO C[C@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000347213251 466480627 /nfs/dbraw/zinc/48/06/27/466480627.db2.gz JSRLDOFZGJFNPL-MRVPVSSYSA-N 1 0 345.197 2.429 10 5 EEBERO CO[C@H](C)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000354460449 466584062 /nfs/dbraw/zinc/58/40/62/466584062.db2.gz RVTZAWVSUVKFTH-HIFRSBDPSA-N 1 0 326.393 2.080 10 5 EEBERO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000411262247 466796163 /nfs/dbraw/zinc/79/61/63/466796163.db2.gz QZLDNWJMNVHRLV-MRXNPFEDSA-N 1 0 332.404 2.092 10 5 EEBERO CC(C)(C)C1=CC[N@H+](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000413273918 467202799 /nfs/dbraw/zinc/20/27/99/467202799.db2.gz CDNHJZDWZUMCQT-UHFFFAOYSA-N 1 0 347.419 2.179 10 5 EEBERO O=[N+]([O-])c1cnc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397484471 467442085 /nfs/dbraw/zinc/44/20/85/467442085.db2.gz AQBRXGUARBZFBI-UHFFFAOYSA-N 1 0 348.428 2.490 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCN1CCO)CCC2 ZINC000453276191 467475171 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2.081 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC12CCC[NH+]1CCC2 ZINC000597588643 468609809 /nfs/dbraw/zinc/60/98/09/468609809.db2.gz NLYFDCPBSYFCRX-UHFFFAOYSA-N 1 0 339.342 2.160 10 5 EEBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(CO)OC ZINC000594510816 468612351 /nfs/dbraw/zinc/61/23/51/468612351.db2.gz LGTZLGOIKMPGGX-SWLSCSKDSA-N 1 0 328.434 2.453 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC000594598840 468631814 /nfs/dbraw/zinc/63/18/14/468631814.db2.gz KHGFHHZTLFYXQL-ZDUSSCGKSA-N 1 0 345.403 2.162 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000595052296 468749306 /nfs/dbraw/zinc/74/93/06/468749306.db2.gz WWNVNPFRQVQUSU-HWWQOWPSSA-N 1 0 340.420 2.412 10 5 EEBERO COCc1n[nH]c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595066485 468752497 /nfs/dbraw/zinc/75/24/97/468752497.db2.gz HUOBGEPBNOHCGN-JSGCOSHPSA-N 1 0 345.403 2.360 10 5 EEBERO O=[N+]([O-])c1ccc2nccc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000601198497 468778593 /nfs/dbraw/zinc/77/85/93/468778593.db2.gz BPHTXNXRJNHGNJ-HNNXBMFYSA-N 1 0 342.399 2.178 10 5 EEBERO COC(=O)CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000593011040 468839040 /nfs/dbraw/zinc/83/90/40/468839040.db2.gz HICRNBRGLHTMFT-UHFFFAOYSA-N 1 0 338.360 2.155 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000593021163 468842291 /nfs/dbraw/zinc/84/22/91/468842291.db2.gz SJJFWJIXFXNSIZ-OLZOCXBDSA-N 1 0 335.404 2.296 10 5 EEBERO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCC[N@@H+]1C1CC1 ZINC000571847499 468846685 /nfs/dbraw/zinc/84/66/85/468846685.db2.gz CHLQCXWACDBXFC-QGZVFWFLSA-N 1 0 342.399 2.362 10 5 EEBERO Cc1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598540703 468906763 /nfs/dbraw/zinc/90/67/63/468906763.db2.gz DZMFZWCVLMQKQE-OAHLLOKOSA-N 1 0 335.404 2.086 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595635377 468932874 /nfs/dbraw/zinc/93/28/74/468932874.db2.gz ULZCYESIFWZRRQ-DFBGVHRSSA-N 1 0 326.368 2.390 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595761722 468993403 /nfs/dbraw/zinc/99/34/03/468993403.db2.gz ZGNSSNWLIOHEEA-OGHNNQOOSA-N 1 0 333.388 2.199 10 5 EEBERO Nc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587982401 469099218 /nfs/dbraw/zinc/09/92/18/469099218.db2.gz HGXJCZVJJSOQOO-AWEZNQCLSA-N 1 0 334.420 2.124 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000599183774 469153478 /nfs/dbraw/zinc/15/34/78/469153478.db2.gz UNIKNQRCGMOIPO-UHFFFAOYSA-N 1 0 334.420 2.379 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611579952 469285847 /nfs/dbraw/zinc/28/58/47/469285847.db2.gz OFLVMSOZRCXAEC-OCCSQVGLSA-N 1 0 346.330 2.038 10 5 EEBERO CC1(N2CCOCC2)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000599620380 469311838 /nfs/dbraw/zinc/31/18/38/469311838.db2.gz ZVQOOCPTBBVKMD-UHFFFAOYSA-N 1 0 349.431 2.160 10 5 EEBERO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000602594510 469377103 /nfs/dbraw/zinc/37/71/03/469377103.db2.gz QLDIBYCOKSJLLG-WCBMZHEXSA-N 1 0 342.193 2.024 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000619255417 469560211 /nfs/dbraw/zinc/56/02/11/469560211.db2.gz XYEBUPIGOKVTKB-SFHVURJKSA-N 1 0 349.431 2.049 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595828769 485610587 /nfs/dbraw/zinc/61/05/87/485610587.db2.gz LTIORCMXVJKZDD-AWEZNQCLSA-N 1 0 347.371 2.202 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000174533465 529065897 /nfs/dbraw/zinc/06/58/97/529065897.db2.gz UAYFRDPUKBCUNY-SNVBAGLBSA-N 1 0 327.331 2.429 10 5 EEBERO NC(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766094976 577512819 /nfs/dbraw/zinc/51/28/19/577512819.db2.gz QJFSCEQZCPIGKE-ZFWWWQNUSA-N 1 0 346.431 2.197 10 5 EEBERO C/C(=C\C(=O)NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752317156 577769062 /nfs/dbraw/zinc/76/90/62/577769062.db2.gz NYWSMDLEVGKFQX-OUKQBFOZSA-N 1 0 335.429 2.163 10 5 EEBERO C[NH+](C)C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000052554424 682075852 /nfs/dbraw/zinc/07/58/52/682075852.db2.gz VCNGSXHJSPVJDU-HNNXBMFYSA-N 1 0 328.372 2.210 10 5 EEBERO CCO[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926821673 682761376 /nfs/dbraw/zinc/76/13/76/682761376.db2.gz ITVNQZJUTDEKKA-NSHDSACASA-N 1 0 344.799 2.336 10 5 EEBERO CC[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)OC ZINC000895126996 684015415 /nfs/dbraw/zinc/01/54/15/684015415.db2.gz CVSKDYMWZDLUFH-ZDUSSCGKSA-N 1 0 335.404 2.352 10 5 EEBERO CC(=O)c1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896522749 685012942 /nfs/dbraw/zinc/01/29/42/685012942.db2.gz LGKLGYNQEKVFON-OAHLLOKOSA-N 1 0 333.388 2.463 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000897825869 691793756 /nfs/dbraw/zinc/79/37/56/691793756.db2.gz QLXNTWYTPWHWKE-IUODEOHRSA-N 1 0 340.383 2.106 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC([NH+]2CCCC2)C1 ZINC000898614418 693396032 /nfs/dbraw/zinc/39/60/32/693396032.db2.gz UAJQYNPAPXGNQK-UHFFFAOYSA-N 1 0 332.404 2.094 10 5 EEBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1C1CC1 ZINC001266390980 1176464445 /nfs/dbraw/zinc/46/44/45/1176464445.db2.gz UXNAUWOFCZLYCU-IAGOWNOFSA-N 1 0 331.416 2.167 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccc[nH]1 ZINC001267365904 1178854278 /nfs/dbraw/zinc/85/42/78/1178854278.db2.gz PZVQQKUTVCLTPG-RMKNXTFCSA-N 1 0 328.372 2.184 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cc(F)c[nH]1 ZINC001269456328 1184280095 /nfs/dbraw/zinc/28/00/95/1184280095.db2.gz SYHBYOPCGHWWEA-UHFFFAOYSA-N 1 0 332.335 2.114 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ocnc1C ZINC001482916627 1187833186 /nfs/dbraw/zinc/83/31/86/1187833186.db2.gz VFWOGQOXYPVFFA-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CCc1oncc1C(=O)N(CC)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001482953143 1187880182 /nfs/dbraw/zinc/88/01/82/1187880182.db2.gz ISMJIYBLXQRNHY-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO O=C(Cc1cscn1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001483774040 1191014127 /nfs/dbraw/zinc/01/41/27/1191014127.db2.gz YFCJMGOKUXGFSG-UHFFFAOYSA-N 1 0 346.412 2.032 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccon1 ZINC001485246916 1191708008 /nfs/dbraw/zinc/70/80/08/1191708008.db2.gz DMQSZMYHAZVHCW-UHFFFAOYSA-N 1 0 346.387 2.471 10 5 EEBERO CC(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001486524033 1194046812 /nfs/dbraw/zinc/04/68/12/1194046812.db2.gz NMCWAHDTCYKVGY-GDBMZVCRSA-N 1 0 337.395 2.243 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)c1ccncc1 ZINC001273032290 1194338372 /nfs/dbraw/zinc/33/83/72/1194338372.db2.gz OCPNKWIDVPEWML-UHFFFAOYSA-N 1 0 340.383 2.432 10 5 EEBERO C[C@]12C[NH2+]C[C@H]1CN(c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000703615828 1196592735 /nfs/dbraw/zinc/59/27/35/1196592735.db2.gz XWXNKAWOXSXBEU-TVQRCGJNSA-N 1 0 326.194 2.403 10 5 EEBERO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])CN1CCOCC1 ZINC000872038192 1198033881 /nfs/dbraw/zinc/03/38/81/1198033881.db2.gz LGMUXOUOUOHPKL-OLZOCXBDSA-N 1 0 325.384 2.353 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1COCCN1C ZINC000872090167 1198044881 /nfs/dbraw/zinc/04/48/81/1198044881.db2.gz MYFLAOKSUBVWON-DGCLKSJQSA-N 1 0 325.434 2.298 10 5 EEBERO CC(C)[C@](C)(CO)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810075310 1199240137 /nfs/dbraw/zinc/24/01/37/1199240137.db2.gz JYCWQLITXFYHMS-AWEZNQCLSA-N 1 0 329.784 2.183 10 5 EEBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000870546733 1200736973 /nfs/dbraw/zinc/73/69/73/1200736973.db2.gz CSCCCUHRYIMRBA-CYBMUJFWSA-N 1 0 332.360 2.278 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000866353640 1201498720 /nfs/dbraw/zinc/49/87/20/1201498720.db2.gz IPWALFQXODNXDN-DIOULYMOSA-N 1 0 342.411 2.413 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1CCO ZINC000866367045 1201501330 /nfs/dbraw/zinc/50/13/30/1201501330.db2.gz VAZWETQIDSOFME-CJNGLKHVSA-N 1 0 339.411 2.101 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@@H]2C1 ZINC000868449546 1201814463 /nfs/dbraw/zinc/81/44/63/1201814463.db2.gz UDQAWFRQJSMHPH-CABCVRRESA-N 1 0 343.427 2.427 10 5 EEBERO CN(CCC[NH2+]Cc1ccc(F)cc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276001135 1205628133 /nfs/dbraw/zinc/62/81/33/1205628133.db2.gz FCBVOOZEKSZANW-TZMCWYRMSA-N 1 0 343.786 2.082 10 5 EEBERO O=C(N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)C12CC[NH+](CC1)C2 ZINC000900838577 1234889597 /nfs/dbraw/zinc/88/95/97/1234889597.db2.gz PFRTXQQIMFJEOJ-AWEZNQCLSA-N 1 0 333.413 2.265 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1=CCOCC1 ZINC001273502407 1278595860 /nfs/dbraw/zinc/59/58/60/1278595860.db2.gz UAXILOYTTYVFAC-UHFFFAOYSA-N 1 0 347.415 2.222 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000856281471 1293471583 /nfs/dbraw/zinc/47/15/83/1293471583.db2.gz DPMDJWRKVGJXMN-UHFFFAOYSA-N 1 0 326.372 2.166 10 5 EEBERO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764778 1293910564 /nfs/dbraw/zinc/91/05/64/1293910564.db2.gz AHOYADKIFGYXOF-QWRGUYRKSA-N 1 0 343.330 2.152 10 5 EEBERO CC[C@@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000857764882 1293910731 /nfs/dbraw/zinc/91/07/31/1293910731.db2.gz CSLPKZPVOHROLN-ZWNOBZJWSA-N 1 0 343.330 2.152 10 5 EEBERO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000859829291 1294662921 /nfs/dbraw/zinc/66/29/21/1294662921.db2.gz PCJMMVGGRIXIAT-DJQAVVSRSA-N 1 0 339.367 2.464 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926949100 1296967035 /nfs/dbraw/zinc/96/70/35/1296967035.db2.gz IMUWARVITCDBTQ-LLVKDONJSA-N 1 0 344.433 2.325 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(Cc3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000839604651 1315219030 /nfs/dbraw/zinc/21/90/30/1315219030.db2.gz FPJKESVTLKQYOA-GXFFZTMASA-N 1 0 340.221 2.493 10 5 EEBERO C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000842163166 1315671381 /nfs/dbraw/zinc/67/13/81/1315671381.db2.gz LAGZHMGGYJEIBL-NEPJUHHUSA-N 1 0 327.812 2.135 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000842777158 1315771977 /nfs/dbraw/zinc/77/19/77/1315771977.db2.gz ASSLUTZTRHHSQI-NXEZZACHSA-N 1 0 347.824 2.105 10 5 EEBERO COCC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001264427420 1322698761 /nfs/dbraw/zinc/69/87/61/1322698761.db2.gz QSCVWMBHBWAOJY-SHTZXODSSA-N 1 0 349.431 2.252 10 5 EEBERO CCc1nc(C(=O)NCCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001264978470 1322828709 /nfs/dbraw/zinc/82/87/09/1322828709.db2.gz IUPOSQDSWKQXSA-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO 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YDTHZASATPXZGA-VIFPVBQESA-N 1 0 338.795 2.045 10 5 EEBERO O=C(CC[N@@H+]1CC[C@H](F)C1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001597746808 1349930845 /nfs/dbraw/zinc/93/08/45/1349930845.db2.gz JORXUGKJIHMJQV-ZDUSSCGKSA-N 1 0 343.786 2.341 10 5 EEBERO CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC001630594766 1352571050 /nfs/dbraw/zinc/57/10/50/1352571050.db2.gz URQKIRPQLQKPBP-WDEREUQCSA-N 1 0 335.408 2.044 10 5 EEBERO CC(C)(C(=O)NC[C@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC001646288248 1352825675 /nfs/dbraw/zinc/82/56/75/1352825675.db2.gz DDPDVBPYUJEETC-ZDUSSCGKSA-N 1 0 349.406 2.470 10 5 EEBERO O=Cc1ccc(OCC(=O)Nc2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC001652862349 1354106320 /nfs/dbraw/zinc/10/63/20/1354106320.db2.gz QICJXFLSWCISTA-UHFFFAOYSA-N 1 0 340.295 2.073 10 5 EEBERO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC001655381866 1354172343 /nfs/dbraw/zinc/17/23/43/1354172343.db2.gz ZJNRINLYOUEKFB-LBPRGKRZSA-N 1 0 331.376 2.316 10 5 EEBERO COc1ccc(OCC[N@@H+]2CC[C@H](c3cnccn3)C2)c([N+](=O)[O-])c1 ZINC001655713131 1354182269 /nfs/dbraw/zinc/18/22/69/1354182269.db2.gz NVIRKFZWSLMXGW-ZDUSSCGKSA-N 1 0 344.371 2.262 10 5 EEBERO COC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC001659860972 1354388586 /nfs/dbraw/zinc/38/85/86/1354388586.db2.gz GVOXHOXZNKYYFV-QGZVFWFLSA-N 1 0 349.387 2.245 10 5 EEBERO Cc1cnccc1CC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001663931101 1355055944 /nfs/dbraw/zinc/05/59/44/1355055944.db2.gz BYVVTLLWEKVTLC-UHFFFAOYSA-N 1 0 348.428 2.150 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccco1 ZINC001670286999 1356312017 /nfs/dbraw/zinc/31/20/17/1356312017.db2.gz ZVHBDGQALFZVPL-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913293134 788769588 /nfs/dbraw/zinc/76/95/88/788769588.db2.gz JIBGSGLNBRZXBM-IRXDYDNUSA-N 1 0 333.388 2.017 10 5 EEBERO CN1C[C@@]2(C)C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000823755516 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2.326 10 5 EEBERO COC(=O)c1cc(NC(=O)CC[NH2+]C(C)(C)C)c(C)c([N+](=O)[O-])c1 ZINC001459843149 1110248981 /nfs/dbraw/zinc/24/89/81/1110248981.db2.gz JWTKGARCBGWKHO-UHFFFAOYSA-N 1 0 337.376 2.407 10 5 EEBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001460184714 1110258410 /nfs/dbraw/zinc/25/84/10/1110258410.db2.gz YDIBRBNWUDHAOU-DGCLKSJQSA-N 1 0 332.360 2.238 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)n1 ZINC001460664240 1110320297 /nfs/dbraw/zinc/32/02/97/1110320297.db2.gz IRIQEAWXGRXGQO-UHFFFAOYSA-N 1 0 334.420 2.491 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001464801543 1110403459 /nfs/dbraw/zinc/40/34/59/1110403459.db2.gz CUHYUKMSWRTQAZ-GFCCVEGCSA-N 1 0 325.796 2.343 10 5 EEBERO CC[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC001466123737 1110430351 /nfs/dbraw/zinc/43/03/51/1110430351.db2.gz KZIIIVIEHNEADP-BZUAXINKSA-N 1 0 335.404 2.007 10 5 EEBERO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001466903482 1110446247 /nfs/dbraw/zinc/44/62/47/1110446247.db2.gz PVKWTWFAFXUSKI-CXAGYDPISA-N 1 0 345.399 2.201 10 5 EEBERO Cc1ccnc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC001472906392 1110565825 /nfs/dbraw/zinc/56/58/25/1110565825.db2.gz JBJIYZLZVCKRQK-OAHLLOKOSA-N 1 0 330.363 2.458 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001519930347 1119114556 /nfs/dbraw/zinc/11/45/56/1119114556.db2.gz IRSNGUCAZHEYGX-USXIJHARSA-N 1 0 346.431 2.119 10 5 EEBERO C[C@@H](C(=O)OC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001526620136 1120554913 /nfs/dbraw/zinc/55/49/13/1120554913.db2.gz GWJSTCGVKYVLMS-CXAGYDPISA-N 1 0 348.399 2.495 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001539795975 1124066242 /nfs/dbraw/zinc/06/62/42/1124066242.db2.gz OSYSKNYPUTWWPJ-UHFFFAOYSA-N 1 0 341.371 2.092 10 5 EEBERO C[C@H]1CCC[C@](CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)([NH+](C)C)C1 ZINC001542224127 1124111973 /nfs/dbraw/zinc/11/19/73/1124111973.db2.gz YDWZFKHSHMLOKG-XPTSAGLGSA-N 1 0 343.815 2.212 10 5 EEBERO CCn1cccc1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568965988 1125001988 /nfs/dbraw/zinc/00/19/88/1125001988.db2.gz MOPAXTUOYYXXAK-WAYWQWQTSA-N 1 0 342.399 2.492 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1nccn1CC(C)C ZINC000426868507 241350091 /nfs/dbraw/zinc/35/00/91/241350091.db2.gz HNIGNTQSSBVGJR-UHFFFAOYSA-N 1 0 332.360 2.386 10 5 EEBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451254123 243050492 /nfs/dbraw/zinc/05/04/92/243050492.db2.gz OIWOOCGJZITEAS-GXTWGEPZSA-N 1 0 332.360 2.238 10 5 EEBERO Cc1cc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000153854810 224167743 /nfs/dbraw/zinc/16/77/43/224167743.db2.gz WKKOEMYECXUTTL-BBRMVZONSA-N 1 0 348.403 2.088 10 5 EEBERO CC[NH+](CC)CCN(CCOC)c1ncc([N+](=O)[O-])cc1Cl ZINC000177046684 255883562 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C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182930026 464760371 /nfs/dbraw/zinc/76/03/71/464760371.db2.gz DOLUZYIRXUHGBO-IUODEOHRSA-N 1 0 329.356 2.245 10 5 EEBERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]12 ZINC000248644536 464777114 /nfs/dbraw/zinc/77/71/14/464777114.db2.gz SACAMXGZXWNIFY-OXHMUOHRSA-N 1 0 343.305 2.423 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183128292 464804011 /nfs/dbraw/zinc/80/40/11/464804011.db2.gz MUKUDRVKHFGYCY-NHYWBVRUSA-N 1 0 337.376 2.089 10 5 EEBERO C[C@@H]1C[C@@H](O)C[C@H](C)N1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248851455 464810765 /nfs/dbraw/zinc/81/07/65/464810765.db2.gz UGWWWKSTEDENPT-PEGIJTEDSA-N 1 0 341.795 2.420 10 5 EEBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183160557 464812210 /nfs/dbraw/zinc/81/22/10/464812210.db2.gz TVQMMDIKEDLWDD-ZETOZRRWSA-N 1 0 337.376 2.088 10 5 EEBERO O=C1[C@@H]([NH2+][C@H](CO)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000183657722 464894350 /nfs/dbraw/zinc/89/43/50/464894350.db2.gz RCBPCHNCXXWIGQ-DLBZAZTESA-N 1 0 341.367 2.023 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000177011598 464907672 /nfs/dbraw/zinc/90/76/72/464907672.db2.gz LQZKIYOBDUTALN-CQSZACIVSA-N 1 0 334.420 2.340 10 5 EEBERO NC(=O)c1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000295830555 464978788 /nfs/dbraw/zinc/97/87/88/464978788.db2.gz YSIFCGJNICCQAO-UHFFFAOYSA-N 1 0 347.415 2.211 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593918119 468432438 /nfs/dbraw/zinc/43/24/38/468432438.db2.gz AUWKZJOQJXTXBD-BMFZPTHFSA-N 1 0 333.388 2.096 10 5 EEBERO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348202089 465487189 /nfs/dbraw/zinc/48/71/89/465487189.db2.gz VACZZVRMYHHKSX-INIZCTEOSA-N 1 0 333.388 2.059 10 5 EEBERO CC[N@@H+]1CCCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095461 468441868 /nfs/dbraw/zinc/44/18/68/468441868.db2.gz VTLSVOVIIVRWFD-UHFFFAOYSA-N 1 0 341.799 2.390 10 5 EEBERO CCC[NH+]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597097240 468442504 /nfs/dbraw/zinc/44/25/04/468442504.db2.gz FHOKZXLYPXUTOU-UHFFFAOYSA-N 1 0 341.799 2.390 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000299225280 465653906 /nfs/dbraw/zinc/65/39/06/465653906.db2.gz ABCUTTGYUXFSNL-JTQLQIEISA-N 1 0 344.318 2.412 10 5 EEBERO COc1ccc(OCC[N@@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000362449172 465748399 /nfs/dbraw/zinc/74/83/99/465748399.db2.gz HDZPLZDMBAGZDZ-DZGCQCFKSA-N 1 0 336.388 2.483 10 5 EEBERO Cc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000300487027 465891304 /nfs/dbraw/zinc/89/13/04/465891304.db2.gz JASMAXFGGFUYCW-ZANVPECISA-N 1 0 344.209 2.218 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000301214507 465921725 /nfs/dbraw/zinc/92/17/25/465921725.db2.gz YMFSPTKDNHCHII-GFCCVEGCSA-N 1 0 347.419 2.298 10 5 EEBERO CCOC(=O)c1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000600142806 468474189 /nfs/dbraw/zinc/47/41/89/468474189.db2.gz PVDWKTDWZJGBEH-UHFFFAOYSA-N 1 0 329.356 2.499 10 5 EEBERO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2(CO)COC2)c2ccccc2)c1 ZINC000305856364 466482639 /nfs/dbraw/zinc/48/26/39/466482639.db2.gz WODZQLLLERPGMC-QGZVFWFLSA-N 1 0 328.368 2.283 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418583601 467132050 /nfs/dbraw/zinc/13/20/50/467132050.db2.gz WOZNMOLQLSMPPL-WFASDCNBSA-N 1 0 332.404 2.267 10 5 EEBERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427472447 467159744 /nfs/dbraw/zinc/15/97/44/467159744.db2.gz QMMFDDCRHHUVDQ-ZDUSSCGKSA-N 1 0 337.424 2.196 10 5 EEBERO CC[C@@H]1C[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453578022 467498596 /nfs/dbraw/zinc/49/85/96/467498596.db2.gz OUEYXJCIWRLCAC-LSDHHAIUSA-N 1 0 334.420 2.317 10 5 EEBERO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449364539 467634002 /nfs/dbraw/zinc/63/40/02/467634002.db2.gz SCANMFKADWSKOM-ZDUSSCGKSA-N 1 0 332.381 2.256 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2CCO)cc1OC(F)F ZINC000450620124 467880607 /nfs/dbraw/zinc/88/06/07/467880607.db2.gz VEMUXYNIZNEZNN-GFCCVEGCSA-N 1 0 345.346 2.455 10 5 EEBERO CC[NH+]1CCN([C@@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487928408 468060423 /nfs/dbraw/zinc/06/04/23/468060423.db2.gz IPQCJUFLRDRNRG-AWEZNQCLSA-N 1 0 343.431 2.003 10 5 EEBERO O=C1[C@@H](N2CC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549082477 468169508 /nfs/dbraw/zinc/16/95/08/468169508.db2.gz SBXJQVMNUVCVBZ-STQMWFEESA-N 1 0 341.314 2.014 10 5 EEBERO CCOc1cccc(N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000591992157 468592033 /nfs/dbraw/zinc/59/20/33/468592033.db2.gz PKAHSSBUUMDVQG-UHFFFAOYSA-N 1 0 335.404 2.295 10 5 EEBERO CCO[C@@H]1C[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592169404 468645591 /nfs/dbraw/zinc/64/55/91/468645591.db2.gz UPJWVQHBGRXQLJ-KFWWJZLASA-N 1 0 326.418 2.472 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CO)c1cccnc1 ZINC000595046822 468749161 /nfs/dbraw/zinc/74/91/61/468749161.db2.gz BIKDSGJSLNNOAI-TZMCWYRMSA-N 1 0 331.372 2.425 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000601131292 468755113 /nfs/dbraw/zinc/75/51/13/468755113.db2.gz VXDRIQQNOMGFOZ-VHSXEESVSA-N 1 0 347.341 2.268 10 5 EEBERO O=C1N(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H]2CCCCN12 ZINC000595105166 468759972 /nfs/dbraw/zinc/75/99/72/468759972.db2.gz QRJYJAPGHRDLSQ-CZUORRHYSA-N 1 0 344.415 2.462 10 5 EEBERO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000595110003 468760937 /nfs/dbraw/zinc/76/09/37/468760937.db2.gz YPCLNBDELWWGKA-NWDGAFQWSA-N 1 0 331.376 2.396 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CN(c2ccncn2)C1 ZINC000601158219 468764280 /nfs/dbraw/zinc/76/42/80/468764280.db2.gz PEFXADUYXTVDQX-NTUHNPAUSA-N 1 0 325.372 2.267 10 5 EEBERO CC1([NH+]2CCCC2)CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000601216811 468784488 /nfs/dbraw/zinc/78/44/88/468784488.db2.gz RKPLIZWOROWGCZ-UHFFFAOYSA-N 1 0 332.404 2.148 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000595220137 468786964 /nfs/dbraw/zinc/78/69/64/468786964.db2.gz GCBZPWIDOZNHEY-NVXWUHKLSA-N 1 0 340.383 2.255 10 5 EEBERO CCc1nn(C)c(Nc2cnn(C3CC[NH+](C)CC3)c2)c1[N+](=O)[O-] ZINC000601226706 468788331 /nfs/dbraw/zinc/78/83/31/468788331.db2.gz PXKVJWXDVQVHIZ-UHFFFAOYSA-N 1 0 333.396 2.098 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226223 468788393 /nfs/dbraw/zinc/78/83/93/468788393.db2.gz RPMBKXDZMQOKCN-CJNGLKHVSA-N 1 0 332.404 2.293 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C2(O)CC2)CC1 ZINC000593049837 468851625 /nfs/dbraw/zinc/85/16/25/468851625.db2.gz MEWLQQWQFNUCER-UHFFFAOYSA-N 1 0 347.415 2.469 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000595520231 468886924 /nfs/dbraw/zinc/88/69/24/468886924.db2.gz OISLVBYDLIKDLK-UHFFFAOYSA-N 1 0 334.420 2.121 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595781116 469006159 /nfs/dbraw/zinc/00/61/59/469006159.db2.gz KHEPOYNERRSZAF-CQDKDKBSSA-N 1 0 333.388 2.123 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826556 469030259 /nfs/dbraw/zinc/03/02/59/469030259.db2.gz AMOVZBVPZCFCRW-UONOGXRCSA-N 1 0 333.388 2.200 10 5 EEBERO CC(C)NC(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595851157 469043171 /nfs/dbraw/zinc/04/31/71/469043171.db2.gz OSOAKOMUJKWOAB-CQSZACIVSA-N 1 0 335.404 2.210 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864211 469052892 /nfs/dbraw/zinc/05/28/92/469052892.db2.gz RCHOESSWUJBTIG-RHSMWYFYSA-N 1 0 333.432 2.495 10 5 EEBERO CCOc1cc(C(=O)NCC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000595951331 469095279 /nfs/dbraw/zinc/09/52/79/469095279.db2.gz PSXXZBHLGQRQSC-GFCCVEGCSA-N 1 0 339.392 2.105 10 5 EEBERO Nc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588004071 469102958 /nfs/dbraw/zinc/10/29/58/469102958.db2.gz TZWSTYFHWUQGDA-SJKOYZFVSA-N 1 0 346.431 2.122 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610963790 469123372 /nfs/dbraw/zinc/12/33/72/469123372.db2.gz BOPMZUVZRUOMGT-AWEZNQCLSA-N 1 0 332.404 2.363 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000599141052 469133667 /nfs/dbraw/zinc/13/36/67/469133667.db2.gz VOEYNSBLEXWOCD-ZDUSSCGKSA-N 1 0 344.371 2.390 10 5 EEBERO COC(=O)c1ccnc(NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000599163566 469143179 /nfs/dbraw/zinc/14/31/79/469143179.db2.gz DOUXBPZUZCMHHU-GFCCVEGCSA-N 1 0 334.376 2.205 10 5 EEBERO C[NH+]1CCC2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)CC1 ZINC000596238616 469217437 /nfs/dbraw/zinc/21/74/37/469217437.db2.gz PKTPZRKLPIWUSG-UHFFFAOYSA-N 1 0 327.388 2.460 10 5 EEBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOCC2(CC2)C1 ZINC000611813132 469327774 /nfs/dbraw/zinc/32/77/74/469327774.db2.gz IEHCSJVOWLIURY-UHFFFAOYSA-N 1 0 347.371 2.005 10 5 EEBERO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000187969526 534264467 /nfs/dbraw/zinc/26/44/67/534264467.db2.gz WMNQSRLQXSKRMY-DYVFJYSZSA-N 1 0 335.404 2.041 10 5 EEBERO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000173790281 528737411 /nfs/dbraw/zinc/73/74/11/528737411.db2.gz JRCSLWPYEMRNDI-INIZCTEOSA-N 1 0 349.431 2.097 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451588861 536464804 /nfs/dbraw/zinc/46/48/04/536464804.db2.gz SBOGZTFXTGESAE-HIFRSBDPSA-N 1 0 349.387 2.163 10 5 EEBERO COc1ccc(F)cc1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000895805640 684731579 /nfs/dbraw/zinc/73/15/79/684731579.db2.gz XDAFMRXUZNULKY-UHFFFAOYSA-N 1 0 334.351 2.475 10 5 EEBERO COCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001266605212 1176942428 /nfs/dbraw/zinc/94/24/28/1176942428.db2.gz CLZZPIGBJQIGIN-SHTZXODSSA-N 1 0 347.415 2.148 10 5 EEBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C(C)(C)C)cc1 ZINC001267193912 1178470325 /nfs/dbraw/zinc/47/03/25/1178470325.db2.gz FZQGTKGIAHHHAB-HZPDHXFCSA-N 1 0 333.432 2.197 10 5 EEBERO CC[N@H+](CCNC(=O)c1c[nH]cc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001481016507 1179502331 /nfs/dbraw/zinc/50/23/31/1179502331.db2.gz MYFOVBFJJKPYEF-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO COc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC001269847085 1184665354 /nfs/dbraw/zinc/66/53/54/1184665354.db2.gz RCHWFHNBKVBPPR-GHMZBOCLSA-N 1 0 337.351 2.099 10 5 EEBERO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062335 1198038198 /nfs/dbraw/zinc/03/81/98/1198038198.db2.gz GOTPRSZLMHDWJX-OSAQELSMSA-N 1 0 342.367 2.205 10 5 EEBERO C[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872092313 1198044363 /nfs/dbraw/zinc/04/43/63/1198044363.db2.gz OCUWHHDEVCZSAQ-NEPJUHHUSA-N 1 0 325.384 2.230 10 5 EEBERO [NH3+]C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000872152131 1198058461 /nfs/dbraw/zinc/05/84/61/1198058461.db2.gz ZHXVAPJEPYEDRS-MFKMUULPSA-N 1 0 333.310 2.043 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H](C[NH+](C)C)C1 ZINC000865487560 1198242883 /nfs/dbraw/zinc/24/28/83/1198242883.db2.gz GFKKKDMKNWXKLB-VIFPVBQESA-N 1 0 335.330 2.125 10 5 EEBERO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cn2)(c2ccccc2)CC1 ZINC000866016714 1198455483 /nfs/dbraw/zinc/45/54/83/1198455483.db2.gz SOWXVPHPVDJLPJ-UHFFFAOYSA-N 1 0 327.388 2.460 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000870993334 1200996289 /nfs/dbraw/zinc/99/62/89/1200996289.db2.gz YQGCLWAATLWORZ-KRWDZBQOSA-N 1 0 335.404 2.441 10 5 EEBERO Cc1c[nH]cc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001274578600 1205085836 /nfs/dbraw/zinc/08/58/36/1205085836.db2.gz KLNZFGVAGQXOKH-IHWYPQMZSA-N 1 0 328.372 2.307 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC12CC[NH+](C)CC2 ZINC000929094962 1206446979 /nfs/dbraw/zinc/44/69/79/1206446979.db2.gz JAIVWTRSQHINJG-UHFFFAOYSA-N 1 0 334.376 2.305 10 5 EEBERO C[C@@](CO)([NH2+]CCOC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000931469167 1207389225 /nfs/dbraw/zinc/38/92/25/1207389225.db2.gz ADHNPSKEICKZRW-INIZCTEOSA-N 1 0 340.445 2.304 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933391383 1207764969 /nfs/dbraw/zinc/76/49/69/1207764969.db2.gz FHBBUPLDNFRCPR-YVEFUNNKSA-N 1 0 331.372 2.143 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900295216 1234171123 /nfs/dbraw/zinc/17/11/23/1234171123.db2.gz ZNABUFGFDJHROO-ZFWWWQNUSA-N 1 0 333.388 2.237 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000800859810 1234684973 /nfs/dbraw/zinc/68/49/73/1234684973.db2.gz NENHXKGGVGBZPH-HNNXBMFYSA-N 1 0 334.420 2.258 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974121 1242808986 /nfs/dbraw/zinc/80/89/86/1242808986.db2.gz MKWGZUHXESMLOW-LLCTXKFZSA-N 1 0 331.416 2.356 10 5 EEBERO Cn1cc(CN2C[C@@H]([NH3+])C(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000903985970 1242876229 /nfs/dbraw/zinc/87/62/29/1242876229.db2.gz DDRVSQOMXXEIHA-OAHLLOKOSA-N 1 0 329.404 2.164 10 5 EEBERO Nc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000850716734 1277311502 /nfs/dbraw/zinc/31/15/02/1277311502.db2.gz XPVHUJSWESTFAK-UKRRQHHQSA-N 1 0 332.404 2.171 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC001490325453 1291217925 /nfs/dbraw/zinc/21/79/25/1291217925.db2.gz SUROQBDEKWBGBI-HUUCEWRRSA-N 1 0 339.823 2.333 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852351114 1292097411 /nfs/dbraw/zinc/09/74/11/1292097411.db2.gz IOYUJACGCVMEOH-NFAWXSAZSA-N 1 0 326.368 2.390 10 5 EEBERO C[NH2+]C[C@@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764518 1293910527 /nfs/dbraw/zinc/91/05/27/1293910527.db2.gz RYXOSIDIHDPKDA-NSHDSACASA-N 1 0 343.330 2.024 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000861608006 1295474551 /nfs/dbraw/zinc/47/45/51/1295474551.db2.gz IBYHFAJOWFGHHB-QWHCGFSZSA-N 1 0 326.784 2.188 10 5 EEBERO CC1(NC(=O)C(F)F)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001278016054 1305692491 /nfs/dbraw/zinc/69/24/91/1305692491.db2.gz QFKDBGHIENBFET-UHFFFAOYSA-N 1 0 327.331 2.331 10 5 EEBERO COc1ccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001123425455 1310563703 /nfs/dbraw/zinc/56/37/03/1310563703.db2.gz KSEOFQGEDFMIGV-WCFLWFBJSA-N 1 0 334.376 2.065 10 5 EEBERO CNC(=O)c1ccc(NCCCCc2cc[nH+]c(N)c2)c([N+](=O)[O-])c1 ZINC001164234229 1321325602 /nfs/dbraw/zinc/32/56/02/1321325602.db2.gz LHLWKJNHBMPVEB-UHFFFAOYSA-N 1 0 343.387 2.366 10 5 EEBERO O=C(NCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccn[nH]1 ZINC001265153854 1322951992 /nfs/dbraw/zinc/95/19/92/1322951992.db2.gz LKPUVLFEEHCSED-UHFFFAOYSA-N 1 0 343.387 2.102 10 5 EEBERO Cc1ocnc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001280468992 1324239926 /nfs/dbraw/zinc/23/99/26/1324239926.db2.gz LNQGGZPYVCMHOA-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO C[NH+](C)CC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001303475216 1331355779 /nfs/dbraw/zinc/35/57/79/1331355779.db2.gz AIJHKQSCAXVEMA-COXVUDFISA-N 1 0 331.416 2.499 10 5 EEBERO CC(C)n1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001317637869 1332341438 /nfs/dbraw/zinc/34/14/38/1332341438.db2.gz VYHRQDAOEQEAIQ-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001318354826 1332515324 /nfs/dbraw/zinc/51/53/24/1332515324.db2.gz UPGUKZXCVGYFJP-CYBMUJFWSA-N 1 0 328.372 2.386 10 5 EEBERO O=[N+]([O-])c1ccc(Br)c(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC001354636236 1338568555 /nfs/dbraw/zinc/56/85/55/1338568555.db2.gz CPJZAQGMNJAVAN-GFCCVEGCSA-N 1 0 327.178 2.314 10 5 EEBERO O=[N+]([O-])CC[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001618266724 1352348480 /nfs/dbraw/zinc/34/84/80/1352348480.db2.gz YLENLJMRNPVRCK-JSGCOSHPSA-N 1 0 343.221 2.471 10 5 EEBERO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001558799547 1342488786 /nfs/dbraw/zinc/48/87/86/1342488786.db2.gz JNDVDSWSRLVRDY-UHFFFAOYSA-N 1 0 342.355 2.094 10 5 EEBERO CN(CC(C)(C)C[NH2+]CCc1cccs1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570673638 1343100072 /nfs/dbraw/zinc/10/00/72/1343100072.db2.gz HUXNQYBVTYVGEU-ZIAGYGMSSA-N 1 0 339.461 2.030 10 5 EEBERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001596461092 1349907197 /nfs/dbraw/zinc/90/71/97/1349907197.db2.gz KOKAQWOXQBIIFA-WDEREUQCSA-N 1 0 325.796 2.342 10 5 EEBERO C[NH+](C)CCN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC001628112260 1352521385 /nfs/dbraw/zinc/52/13/85/1352521385.db2.gz IJPUKDQAVVCNGR-UHFFFAOYSA-N 1 0 343.815 2.308 10 5 EEBERO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC001630594763 1352571429 /nfs/dbraw/zinc/57/14/29/1352571429.db2.gz URQKIRPQLQKPBP-GHMZBOCLSA-N 1 0 335.408 2.044 10 5 EEBERO Cc1nc(N2CC[NH2+][C@@H](Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC001643330485 1352745943 /nfs/dbraw/zinc/74/59/43/1352745943.db2.gz KDGWFQOLQOSJJY-HNNXBMFYSA-N 1 0 330.363 2.458 10 5 EEBERO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001651332522 1354048943 /nfs/dbraw/zinc/04/89/43/1354048943.db2.gz ZQCKAAMCPILMNY-TZMCWYRMSA-N 1 0 342.403 2.290 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCn2nccc21 ZINC001654610785 1354153760 /nfs/dbraw/zinc/15/37/60/1354153760.db2.gz JSIIXTLRZXHFBT-CYBMUJFWSA-N 1 0 329.360 2.163 10 5 EEBERO CCOC(=O)c1ccnc(NCc2ccc3c[nH+]cn3c2)c1[N+](=O)[O-] ZINC001655550568 1354177172 /nfs/dbraw/zinc/17/71/72/1354177172.db2.gz AOTMACQTWPPRRM-UHFFFAOYSA-N 1 0 341.327 2.426 10 5 EEBERO CN(C(=O)C[NH2+][C@@H]1CCOCC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001655902236 1354189775 /nfs/dbraw/zinc/18/97/75/1354189775.db2.gz DNYCIDULUMDJME-MRXNPFEDSA-N 1 0 347.415 2.497 10 5 EEBERO COCCC(=O)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001666176881 1355476361 /nfs/dbraw/zinc/47/63/61/1355476361.db2.gz CJBZQDHIOZUHRA-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn[nH]c1 ZINC001674819188 1356900463 /nfs/dbraw/zinc/90/04/63/1356900463.db2.gz ODDWCLRKRDQCKK-UHFFFAOYSA-N 1 0 345.403 2.206 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000817991602 785142480 /nfs/dbraw/zinc/14/24/80/785142480.db2.gz CKVAJACUZJHBAI-WFASDCNBSA-N 1 0 332.404 2.147 10 5 EEBERO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000708887605 786880268 /nfs/dbraw/zinc/88/02/68/786880268.db2.gz BZSUNWGTDNSBNR-ONGXEEELSA-N 1 0 328.210 2.384 10 5 EEBERO C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(F)F ZINC000698591214 791245605 /nfs/dbraw/zinc/24/56/05/791245605.db2.gz FNFLBVFKYXQESI-LLVKDONJSA-N 1 0 339.136 2.463 10 5 EEBERO CC[N@H+](CCCNC(=O)c1ncccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001566570095 1125747388 /nfs/dbraw/zinc/74/73/88/1125747388.db2.gz VAKXYCPRWSXSKF-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001480136175 1099701149 /nfs/dbraw/zinc/70/11/49/1099701149.db2.gz DJRGYQAFNIGAST-GJQFUUHUSA-N 1 0 346.412 2.435 10 5 EEBERO C/C=C(/C)C(=O)N1CCC(CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001495406250 1101125994 /nfs/dbraw/zinc/12/59/94/1101125994.db2.gz LYGPJTBZWZABEZ-PQMHYQBVSA-N 1 0 349.435 2.013 10 5 EEBERO C[NH+](C)C1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001447744815 1103221849 /nfs/dbraw/zinc/22/18/49/1103221849.db2.gz GPYROGDLJJWYBH-UHFFFAOYSA-N 1 0 333.388 2.059 10 5 EEBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cccn1C ZINC001498512969 1107658093 /nfs/dbraw/zinc/65/80/93/1107658093.db2.gz INZMUHXDQPPHHS-UHFFFAOYSA-N 1 0 336.417 2.247 10 5 EEBERO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)c(F)c1 ZINC001458719849 1109947929 /nfs/dbraw/zinc/94/79/29/1109947929.db2.gz CUZNCZIXHNMYPS-CYBMUJFWSA-N 1 0 334.326 2.289 10 5 EEBERO Cn1nccc1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001460970198 1110330326 /nfs/dbraw/zinc/33/03/26/1110330326.db2.gz DNHHAQCYAMRNGJ-HNNXBMFYSA-N 1 0 330.388 2.414 10 5 EEBERO Cc1c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001461479929 1110343524 /nfs/dbraw/zinc/34/35/24/1110343524.db2.gz ZXKFRQNUCZTPOW-MRXNPFEDSA-N 1 0 348.359 2.026 10 5 EEBERO COc1cc(C(=O)NC[C@@]23CC[N@H+](C2)CCC3)cc([N+](=O)[O-])c1C ZINC001520323533 1119145801 /nfs/dbraw/zinc/14/58/01/1119145801.db2.gz IKNYLFQKVPSWDD-QGZVFWFLSA-N 1 0 333.388 2.128 10 5 EEBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001521000546 1119207584 /nfs/dbraw/zinc/20/75/84/1119207584.db2.gz OVZPEVYHFPXLTO-LLVKDONJSA-N 1 0 338.364 2.353 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1n[nH]c(C)c1C ZINC001568732040 1124746497 /nfs/dbraw/zinc/74/64/97/1124746497.db2.gz GFPLJTLVNOUZGJ-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO CC[C@H]([NH2+][C@H](C)C(=O)N1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537155 529663806 /nfs/dbraw/zinc/66/38/06/529663806.db2.gz HPADXRZUOHXETO-PBHICJAKSA-N 1 0 348.447 2.188 10 5 EEBERO CC[NH+](CC)CCNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000037247078 213135995 /nfs/dbraw/zinc/13/59/95/213135995.db2.gz WCCUYIGZZMYFIA-UHFFFAOYSA-N 1 0 344.209 2.429 10 5 EEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000187307263 236174145 /nfs/dbraw/zinc/17/41/45/236174145.db2.gz CNAXHHJDXYVAKO-CQSZACIVSA-N 1 0 342.399 2.080 10 5 EEBERO C[NH+]1CCC(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000037247956 213135918 /nfs/dbraw/zinc/13/59/18/213135918.db2.gz GYRVHHUIQQEFIM-UHFFFAOYSA-N 1 0 342.193 2.181 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2sccc2Cl)cc1 ZINC000193107697 240023994 /nfs/dbraw/zinc/02/39/94/240023994.db2.gz NFSAHACSLCCGFK-GXTWGEPZSA-N 1 0 342.804 2.494 10 5 EEBERO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1CC(F)(F)F ZINC000095430743 218373485 /nfs/dbraw/zinc/37/34/85/218373485.db2.gz CJUYKFZMBHVROJ-LBPRGKRZSA-N 1 0 331.294 2.238 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000054647080 292140662 /nfs/dbraw/zinc/14/06/62/292140662.db2.gz QOYSQAYIDXMZON-CQSZACIVSA-N 1 0 334.420 2.311 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000109689053 159351024 /nfs/dbraw/zinc/35/10/24/159351024.db2.gz PLADMGIWKPVWSY-CYBMUJFWSA-N 1 0 349.435 2.361 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000109821338 159353439 /nfs/dbraw/zinc/35/34/39/159353439.db2.gz AAYXRGPAMBGXPG-KRWDZBQOSA-N 1 0 349.431 2.160 10 5 EEBERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000188691130 160127250 /nfs/dbraw/zinc/12/72/50/160127250.db2.gz YFFVWKWXUXHNGG-UHFFFAOYSA-N 1 0 342.311 2.036 10 5 EEBERO Cc1cc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000194449779 160194621 /nfs/dbraw/zinc/19/46/21/160194621.db2.gz BAZOJMGTIIQZNY-AWEZNQCLSA-N 1 0 347.415 2.229 10 5 EEBERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000246245820 160269908 /nfs/dbraw/zinc/26/99/08/160269908.db2.gz JJTXGZNCAIYPSP-HZMBPMFUSA-N 1 0 339.342 2.429 10 5 EEBERO COc1cc(C[NH2+]CC[C@H](OC)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000344814431 161248017 /nfs/dbraw/zinc/24/80/17/161248017.db2.gz PFFFVBFMUKPAEK-LBPRGKRZSA-N 1 0 338.282 2.366 10 5 EEBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nnc3ccccn32)n1 ZINC000351498448 161804572 /nfs/dbraw/zinc/80/45/72/161804572.db2.gz ZOUHBMJBRYCSOC-STQMWFEESA-N 1 0 341.375 2.108 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1O ZINC000355282024 163132052 /nfs/dbraw/zinc/13/20/52/163132052.db2.gz PMSSKYMJANFTPL-NSHDSACASA-N 1 0 330.344 2.202 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000364872806 165301576 /nfs/dbraw/zinc/30/15/76/165301576.db2.gz ZXBORLKFHKEIAC-XYPWUTKMSA-N 1 0 345.447 2.045 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1COc3ccccc3O1)OCO2 ZINC000095385679 275033969 /nfs/dbraw/zinc/03/39/69/275033969.db2.gz ZUMKJBKECZLULN-GFCCVEGCSA-N 1 0 344.323 2.253 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+](C4CCCC4)CC3)nn21 ZINC000371343536 275041673 /nfs/dbraw/zinc/04/16/73/275041673.db2.gz FPBRIKBEDNQVPG-UHFFFAOYSA-N 1 0 330.392 2.092 10 5 EEBERO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000288448167 275059403 /nfs/dbraw/zinc/05/94/03/275059403.db2.gz PHQOMPFBLLEFKP-UHFFFAOYSA-N 1 0 341.367 2.257 10 5 EEBERO COc1cccc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000185386970 278015962 /nfs/dbraw/zinc/01/59/62/278015962.db2.gz XFQNIBJKMLEJAO-HNNXBMFYSA-N 1 0 348.447 2.210 10 5 EEBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1-n1cccn1 ZINC000090538375 289962159 /nfs/dbraw/zinc/96/21/59/289962159.db2.gz ZPAVOYFUZJODGK-ZDUSSCGKSA-N 1 0 326.360 2.328 10 5 EEBERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284100040 293031302 /nfs/dbraw/zinc/03/13/02/293031302.db2.gz OLJOOWMQBZTJFU-QEORTHHSSA-N 1 0 349.431 2.395 10 5 EEBERO NC(=O)c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000264559579 303343925 /nfs/dbraw/zinc/34/39/25/303343925.db2.gz FIYXJSAQCAMFFQ-AWEZNQCLSA-N 1 0 332.404 2.148 10 5 EEBERO Cc1c(NC(=O)N[C@@H](C)C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415646751 313159624 /nfs/dbraw/zinc/15/96/24/313159624.db2.gz DBISHVGMHWCACA-LURJTMIESA-N 1 0 331.170 2.134 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417994062 313680600 /nfs/dbraw/zinc/68/06/00/313680600.db2.gz QQRYSDCLOUAKHW-MFKMUULPSA-N 1 0 340.811 2.088 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[NH+](C)C ZINC000539417332 318055519 /nfs/dbraw/zinc/05/55/19/318055519.db2.gz HVJVJLOSRFZHRD-LBPRGKRZSA-N 1 0 325.434 2.486 10 5 EEBERO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000566259202 319265796 /nfs/dbraw/zinc/26/57/96/319265796.db2.gz QLHOJJJWWCCDPP-QGZVFWFLSA-N 1 0 325.368 2.222 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567671837 319403032 /nfs/dbraw/zinc/40/30/32/319403032.db2.gz KYHJJYSZPHDBBH-SFHVURJKSA-N 1 0 340.383 2.359 10 5 EEBERO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000569687571 319598926 /nfs/dbraw/zinc/59/89/26/319598926.db2.gz XOENFDVJVVUQFQ-OLZOCXBDSA-N 1 0 349.387 2.245 10 5 EEBERO COC(=O)c1cc(C)nc(NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000341303980 465101531 /nfs/dbraw/zinc/10/15/31/465101531.db2.gz SJKHGSCWOWRHKW-UHFFFAOYSA-N 1 0 338.408 2.616 10 5 EEBERO C[C@@](CO)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000347721585 465188610 /nfs/dbraw/zinc/18/86/10/465188610.db2.gz OZUICHDUKNVSJG-KRWDZBQOSA-N 1 0 332.356 2.177 10 5 EEBERO CCC[N@@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000091457262 462880638 /nfs/dbraw/zinc/88/06/38/462880638.db2.gz DMPVWRUOJSRYMQ-LLVKDONJSA-N 1 0 334.376 2.070 10 5 EEBERO COCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000070037949 463370757 /nfs/dbraw/zinc/37/07/57/463370757.db2.gz QSHIWRXKHNRZRM-MRXNPFEDSA-N 1 0 349.431 2.220 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)C1 ZINC000161180018 463407781 /nfs/dbraw/zinc/40/77/81/463407781.db2.gz PINKPOIWHNVALC-DOMZBBRYSA-N 1 0 334.420 2.119 10 5 EEBERO Cc1ccc([C@@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000164899818 463636513 /nfs/dbraw/zinc/63/65/13/463636513.db2.gz ZJGGUFKXEHBPHG-RHSMWYFYSA-N 1 0 349.431 2.437 10 5 EEBERO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000171124127 463791983 /nfs/dbraw/zinc/79/19/83/463791983.db2.gz NPCKRXBOLDWMBO-UHFFFAOYSA-N 1 0 341.433 2.195 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000283700866 463977560 /nfs/dbraw/zinc/97/75/60/463977560.db2.gz CITYWYYHRFANER-NEPJUHHUSA-N 1 0 336.392 2.370 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803042 464145823 /nfs/dbraw/zinc/14/58/23/464145823.db2.gz VNFISRBSCRGTGC-MRXNPFEDSA-N 1 0 346.431 2.402 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000285153412 464469862 /nfs/dbraw/zinc/46/98/62/464469862.db2.gz UBIUHLDKBFZZDD-JKSUJKDBSA-N 1 0 328.372 2.052 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000182173752 464590376 /nfs/dbraw/zinc/59/03/76/464590376.db2.gz SYXOXBNYQWWBGY-HUUCEWRRSA-N 1 0 346.387 2.285 10 5 EEBERO CC1(C)OCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295237708 464756171 /nfs/dbraw/zinc/75/61/71/464756171.db2.gz OZMNQBVELPERLO-LBPRGKRZSA-N 1 0 327.768 2.344 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000176844397 464865137 /nfs/dbraw/zinc/86/51/37/464865137.db2.gz GONHBZZZCJMPLO-HIFRSBDPSA-N 1 0 349.435 2.035 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000298982172 465555481 /nfs/dbraw/zinc/55/54/81/465555481.db2.gz NSXKKLBDBCZWSV-KRWDZBQOSA-N 1 0 341.411 2.426 10 5 EEBERO C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000337780140 465576143 /nfs/dbraw/zinc/57/61/43/465576143.db2.gz AOSYTAGFLKIVEG-CYBMUJFWSA-N 1 0 338.371 2.464 10 5 EEBERO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597099409 468442568 /nfs/dbraw/zinc/44/25/68/468442568.db2.gz ZUXODFYFMRKQGW-SECBINFHSA-N 1 0 341.799 2.246 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362399406 465707268 /nfs/dbraw/zinc/70/72/68/465707268.db2.gz CZRJGGOPSQRZJO-JTQLQIEISA-N 1 0 327.331 2.016 10 5 EEBERO CC(=O)NC1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000348638745 465722555 /nfs/dbraw/zinc/72/25/55/465722555.db2.gz FTMSGGKOVRNLJS-CKUJCDMFSA-N 1 0 349.435 2.312 10 5 EEBERO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(N)=O)CC2)CC1 ZINC000301244320 465927318 /nfs/dbraw/zinc/92/73/18/465927318.db2.gz ABFNFJLNLLIKFT-UHFFFAOYSA-N 1 0 346.431 2.394 10 5 EEBERO CC(C)[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331117626 465940228 /nfs/dbraw/zinc/94/02/28/465940228.db2.gz KZERGYMALPUXLR-UHFFFAOYSA-N 1 0 341.358 2.405 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000555504513 468479149 /nfs/dbraw/zinc/47/91/49/468479149.db2.gz GPNIYKODOUORRG-NSHDSACASA-N 1 0 339.342 2.112 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000341055018 466545585 /nfs/dbraw/zinc/54/55/85/466545585.db2.gz HKEJSFRMVADNDI-QWRGUYRKSA-N 1 0 338.383 2.309 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000347357109 466588519 /nfs/dbraw/zinc/58/85/19/466588519.db2.gz IRSAMNVKGPBUAS-INIZCTEOSA-N 1 0 326.356 2.330 10 5 EEBERO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600230085 468502594 /nfs/dbraw/zinc/50/25/94/468502594.db2.gz ZCLSUUIVPSSMOL-MRXNPFEDSA-N 1 0 347.415 2.497 10 5 EEBERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000374331819 467040448 /nfs/dbraw/zinc/04/04/48/467040448.db2.gz QOQKFEDWWIVPTG-UHFFFAOYSA-N 1 0 328.372 2.095 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@@H]2C1 ZINC000590447243 468259455 /nfs/dbraw/zinc/25/94/55/468259455.db2.gz WOMMPLDOXWBMBF-NOZJJQNGSA-N 1 0 343.305 2.390 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000569686209 468527656 /nfs/dbraw/zinc/52/76/56/468527656.db2.gz ZGZRHABFJJWVNV-KRWDZBQOSA-N 1 0 333.388 2.209 10 5 EEBERO C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000597695096 468640865 /nfs/dbraw/zinc/64/08/65/468640865.db2.gz QALCMRACVWHJEB-RRQGHBQHSA-N 1 0 347.415 2.020 10 5 EEBERO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000583385105 468690120 /nfs/dbraw/zinc/69/01/20/468690120.db2.gz SOPBZBDTIRPTJL-GOSISDBHSA-N 1 0 340.383 2.384 10 5 EEBERO C[N@@H+]1CCN(CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1(C)C ZINC000583561394 468716659 /nfs/dbraw/zinc/71/66/59/468716659.db2.gz ZDUNQHAMBXDOME-UHFFFAOYSA-N 1 0 347.463 2.307 10 5 EEBERO Cc1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000594951941 468729877 /nfs/dbraw/zinc/72/98/77/468729877.db2.gz OGXUIZZVILTGJL-UHFFFAOYSA-N 1 0 326.418 2.208 10 5 EEBERO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000594957156 468731216 /nfs/dbraw/zinc/73/12/16/468731216.db2.gz NIKWYYWQEYZZKB-CQSZACIVSA-N 1 0 341.367 2.281 10 5 EEBERO CC(C)[N@@H+]1CC[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601172652 468770094 /nfs/dbraw/zinc/77/00/94/468770094.db2.gz DWTJYKSTGQZJBV-SECBINFHSA-N 1 0 335.330 2.266 10 5 EEBERO C[NH+](C)C[C@@H]1CCN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601171406 468770148 /nfs/dbraw/zinc/77/01/48/468770148.db2.gz LDTLHXLNZVHFSY-AWEZNQCLSA-N 1 0 331.416 2.427 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000593030102 468846020 /nfs/dbraw/zinc/84/60/20/468846020.db2.gz KIXNVJCUVGGKJX-FVQBIDKESA-N 1 0 346.383 2.429 10 5 EEBERO Cn1cc([C@H](NCc2csc([N+](=O)[O-])c2)C2(CO)CCC2)cn1 ZINC000595499941 468877018 /nfs/dbraw/zinc/87/70/18/468877018.db2.gz PKQHUUFNHXAHHO-AWEZNQCLSA-N 1 0 336.417 2.383 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595605793 468919121 /nfs/dbraw/zinc/91/91/21/468919121.db2.gz GICYWGCJOCTUHP-CQSZACIVSA-N 1 0 345.403 2.496 10 5 EEBERO COc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000595630751 468930984 /nfs/dbraw/zinc/93/09/84/468930984.db2.gz BXDBPDZMYFXIKR-RRFJBIMHSA-N 1 0 338.404 2.259 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595756442 468992527 /nfs/dbraw/zinc/99/25/27/468992527.db2.gz GDUDLGIWTMWRQO-CXAGYDPISA-N 1 0 333.388 2.200 10 5 EEBERO [NH3+][C@@H]1CCc2ccccc2N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000595904451 469073494 /nfs/dbraw/zinc/07/34/94/469073494.db2.gz ZZVDOEYCEZFICR-CQSZACIVSA-N 1 0 340.383 2.313 10 5 EEBERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595917101 469083088 /nfs/dbraw/zinc/08/30/88/469083088.db2.gz XIYFRLFECFPPTL-KRWDZBQOSA-N 1 0 340.383 2.358 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1CC[N@@H+]1C1CCCC1)OCCO2 ZINC000598999131 469083151 /nfs/dbraw/zinc/08/31/51/469083151.db2.gz JVCLGEUGVHVDQJ-OAHLLOKOSA-N 1 0 347.415 2.473 10 5 EEBERO [NH3+]C1(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000595922756 469085282 /nfs/dbraw/zinc/08/52/82/469085282.db2.gz KAOXPCKICKWRON-UHFFFAOYSA-N 1 0 346.309 2.023 10 5 EEBERO O=c1[nH]c(NC[C@@H]2CC[N@@H+]2C2CCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000599164074 469143693 /nfs/dbraw/zinc/14/36/93/469143693.db2.gz JCMGLTQVEGVJKW-ZDUSSCGKSA-N 1 0 343.387 2.672 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000588887049 469175034 /nfs/dbraw/zinc/17/50/34/469175034.db2.gz LCKQRXMYSPDFRD-ZDUSSCGKSA-N 1 0 345.403 2.012 10 5 EEBERO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000573635980 469175984 /nfs/dbraw/zinc/17/59/84/469175984.db2.gz BIIYVBWKHPXHHI-FZMZJTMJSA-N 1 0 332.360 2.442 10 5 EEBERO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000596361280 469250483 /nfs/dbraw/zinc/25/04/83/469250483.db2.gz RGPQTSSDPVWNQD-NSHDSACASA-N 1 0 329.832 2.327 10 5 EEBERO Cc1c(Br)c(N(C)CC2C[NH+](C)C2)ncc1[N+](=O)[O-] ZINC000596454214 469271073 /nfs/dbraw/zinc/27/10/73/469271073.db2.gz PTYWGJIXLWBNFJ-UHFFFAOYSA-N 1 0 329.198 2.059 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599604841 469306527 /nfs/dbraw/zinc/30/65/27/469306527.db2.gz SRWMZCABOMQNAA-AWEZNQCLSA-N 1 0 334.376 2.400 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000599697081 469342258 /nfs/dbraw/zinc/34/22/58/469342258.db2.gz UTFLFUFSQRGATF-UHFFFAOYSA-N 1 0 348.403 2.313 10 5 EEBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604445996 469479465 /nfs/dbraw/zinc/47/94/65/469479465.db2.gz YIWLADLCHXHDBZ-ZYHUDNBSSA-N 1 0 341.795 2.226 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000756721028 577849339 /nfs/dbraw/zinc/84/93/39/577849339.db2.gz HAVUHQDKSHWWHO-UHFFFAOYSA-N 1 0 349.435 2.338 10 5 EEBERO Cc1ocnc1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001691203395 1177711235 /nfs/dbraw/zinc/71/12/35/1177711235.db2.gz SNLQCGQAPBCFDH-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO Cc1nc(CC(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cs1 ZINC001267464985 1179069900 /nfs/dbraw/zinc/06/99/00/1179069900.db2.gz BCSANWCCNRWOBR-UHFFFAOYSA-N 1 0 348.428 2.150 10 5 EEBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccns1 ZINC001481171198 1179982850 /nfs/dbraw/zinc/98/28/50/1179982850.db2.gz UELQGAKKFYQCIX-UHFFFAOYSA-N 1 0 346.412 2.446 10 5 EEBERO CCc1ocnc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001481216731 1180308178 /nfs/dbraw/zinc/30/81/78/1180308178.db2.gz NXAQRQLQEWBSAN-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO CCN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450135 1182633774 /nfs/dbraw/zinc/63/37/74/1182633774.db2.gz QCLQQAYWVFOWQZ-IAGOWNOFSA-N 1 0 331.416 2.167 10 5 EEBERO [NH3+]C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872148503 1198056292 /nfs/dbraw/zinc/05/62/92/1198056292.db2.gz JMJQLOJSYDZKHH-WDEREUQCSA-N 1 0 333.310 2.043 10 5 EEBERO COC(=O)Cc1ccc(N[C@@H]2CCCN(CCF)C2)c([N+](=O)[O-])c1 ZINC000865927571 1198427485 /nfs/dbraw/zinc/42/74/85/1198427485.db2.gz DGMWVBDWLFIMBT-CYBMUJFWSA-N 1 0 339.367 2.156 10 5 EEBERO COCCN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000865996871 1198448452 /nfs/dbraw/zinc/44/84/52/1198448452.db2.gz URNOWSLOTUMGJY-UHFFFAOYSA-N 1 0 337.420 2.398 10 5 EEBERO CC1([NH+]2CCCC2)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870258694 1200579886 /nfs/dbraw/zinc/57/98/86/1200579886.db2.gz QRZRLCZBXULUPG-MRXNPFEDSA-N 1 0 347.415 2.105 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000868396792 1201805558 /nfs/dbraw/zinc/80/55/58/1201805558.db2.gz NWALNIKCBWRQTK-SWLSCSKDSA-N 1 0 332.404 2.185 10 5 EEBERO COc1cncc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000931211411 1206616144 /nfs/dbraw/zinc/61/61/44/1206616144.db2.gz RKKNNHSXDRJKOL-UHFFFAOYSA-N 1 0 342.399 2.363 10 5 EEBERO COc1ccc(OCCN2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000931309873 1206623581 /nfs/dbraw/zinc/62/35/81/1206623581.db2.gz HOUJBLVROMVPHW-HDICACEKSA-N 1 0 349.431 2.256 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c1 ZINC000934217519 1207925040 /nfs/dbraw/zinc/92/50/40/1207925040.db2.gz GFMNDDXODRCINR-FZKQIMNGSA-N 1 0 344.367 2.305 10 5 EEBERO Cn1nccc1C1=CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796143241 1215342409 /nfs/dbraw/zinc/34/24/09/1215342409.db2.gz OAEFCHUUCBFCMF-KRWDZBQOSA-N 1 0 328.372 2.151 10 5 EEBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900646056 1234605494 /nfs/dbraw/zinc/60/54/94/1234605494.db2.gz HLGWNATWNMFPSP-CJNGLKHVSA-N 1 0 333.388 2.107 10 5 EEBERO C[NH2+]CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000903570628 1240981285 /nfs/dbraw/zinc/98/12/85/1240981285.db2.gz UKTGTUHJPLYFKT-UHFFFAOYSA-N 1 0 328.800 2.117 10 5 EEBERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000903589737 1241091035 /nfs/dbraw/zinc/09/10/35/1241091035.db2.gz KAPNPAZVDASWGE-UHFFFAOYSA-N 1 0 349.840 2.175 10 5 EEBERO COc1ccc(CN2CCc3sc(C[NH3+])nc3C2)cc1[N+](=O)[O-] ZINC000903940824 1242606294 /nfs/dbraw/zinc/60/62/94/1242606294.db2.gz FLXURVBBPDCULA-UHFFFAOYSA-N 1 0 334.401 2.077 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001187740042 1279635134 /nfs/dbraw/zinc/63/51/34/1279635134.db2.gz VPGCEPNDYWUJQN-LLVKDONJSA-N 1 0 348.790 2.364 10 5 EEBERO Cc1cc(N2CC[NH2+][C@H](Cc3ccc(F)cc3)C2)ncc1[N+](=O)[O-] ZINC001187932582 1279710691 /nfs/dbraw/zinc/71/06/91/1279710691.db2.gz XMZZFTIXKLVOIU-OAHLLOKOSA-N 1 0 330.363 2.458 10 5 EEBERO CC[C@@H]([NH2+]C[C@@H](O)CN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001192813896 1282184153 /nfs/dbraw/zinc/18/41/53/1282184153.db2.gz CICWSKMAOIHYOW-ZIAGYGMSSA-N 1 0 349.353 2.491 10 5 EEBERO CC[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1 ZINC000856408386 1293516300 /nfs/dbraw/zinc/51/63/00/1293516300.db2.gz LSYWVIMHOLHEKL-CMPLNLGQSA-N 1 0 327.331 2.286 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000926949101 1296966751 /nfs/dbraw/zinc/96/67/51/1296966751.db2.gz IMUWARVITCDBTQ-NSHDSACASA-N 1 0 344.433 2.325 10 5 EEBERO CCO[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C[NH+](C)C ZINC000926959939 1296969559 /nfs/dbraw/zinc/96/95/59/1296969559.db2.gz LIECARWCUHWKBF-OCCSQVGLSA-N 1 0 325.409 2.221 10 5 EEBERO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001142307193 1315555932 /nfs/dbraw/zinc/55/59/32/1315555932.db2.gz SNLNJFYJARGPIM-UHFFFAOYSA-N 1 0 349.435 2.156 10 5 EEBERO C[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001160703670 1320240825 /nfs/dbraw/zinc/24/08/25/1320240825.db2.gz UURCKXLHROQKDE-UHFFFAOYSA-N 1 0 328.372 2.290 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001262265231 1322265888 /nfs/dbraw/zinc/26/58/88/1322265888.db2.gz NOEUNXOWNSIBMJ-HUUCEWRRSA-N 1 0 335.379 2.410 10 5 EEBERO CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001319999326 1332808147 /nfs/dbraw/zinc/80/81/47/1332808147.db2.gz DLWZBNFDKGPKDD-IAGOWNOFSA-N 1 0 333.432 2.365 10 5 EEBERO COCC(C)(C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323489043 1333474874 /nfs/dbraw/zinc/47/48/74/1333474874.db2.gz GCCMSEUFYBZQSF-UHFFFAOYSA-N 1 0 335.404 2.006 10 5 EEBERO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(=O)[nH]1 ZINC001473825525 1339114648 /nfs/dbraw/zinc/11/46/48/1339114648.db2.gz WBYGWRUKGBNFNU-UHFFFAOYSA-N 1 0 330.344 2.156 10 5 EEBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001612839877 1352311557 /nfs/dbraw/zinc/31/15/57/1352311557.db2.gz ZZQBCFGQVKPKOU-ZDUSSCGKSA-N 1 0 344.327 2.360 10 5 EEBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001606972886 1351388566 /nfs/dbraw/zinc/38/85/66/1351388566.db2.gz XRIKVGMCQUSXNU-HIFRSBDPSA-N 1 0 334.420 2.268 10 5 EEBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1(C)C ZINC001627284291 1352490211 /nfs/dbraw/zinc/49/02/11/1352490211.db2.gz FQVQFERIRLMGSW-VXGBXAGGSA-N 1 0 340.811 2.289 10 5 EEBERO C[C@@H]1C[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)[C@H](C)CCO1 ZINC001648641819 1353436613 /nfs/dbraw/zinc/43/66/13/1353436613.db2.gz NMPGYIIWMUXNTG-CHWSQXEVSA-N 1 0 349.387 2.392 10 5 EEBERO Cc1cccc(Cl)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668822005 1356013005 /nfs/dbraw/zinc/01/30/05/1356013005.db2.gz UTFUWFDEJBEUEU-FKZRYSJHSA-N 1 0 337.807 2.076 10 5 EEBERO CCC1(C(=O)NCC2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCC2)CCC1 ZINC001673202114 1356653876 /nfs/dbraw/zinc/65/38/76/1356653876.db2.gz QWQVMXJWKNWYCX-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136493129 786861538 /nfs/dbraw/zinc/86/15/38/786861538.db2.gz SJCMPHYUBMFPRP-MBNYWOFBSA-N 1 0 347.419 2.049 10 5 EEBERO [NH3+][C@H]1CCc2ccccc2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923392943 789506736 /nfs/dbraw/zinc/50/67/36/789506736.db2.gz WCGZHVBOYANFHW-YJBOKZPZSA-N 1 0 327.384 2.408 10 5 EEBERO CCON(C)C(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000846064935 790050571 /nfs/dbraw/zinc/05/05/71/790050571.db2.gz OFZIWTDUMUCZLI-DZGCQCFKSA-N 1 0 335.404 2.306 10 5 EEBERO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(CCO)(CCO)CC3)nc2c1 ZINC001175324826 798076409 /nfs/dbraw/zinc/07/64/09/798076409.db2.gz WAPXUIIXJHTXNY-UHFFFAOYSA-N 1 0 349.387 2.083 10 5 EEBERO COC(=O)COc1ccc(C[NH2+][C@H](C)C(C)(C)OC)cc1[N+](=O)[O-] ZINC000922581536 801375666 /nfs/dbraw/zinc/37/56/66/801375666.db2.gz NPBIWKBALGICQE-LLVKDONJSA-N 1 0 340.376 2.050 10 5 EEBERO Cc1c(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cnn1C ZINC000790446004 808715496 /nfs/dbraw/zinc/71/54/96/808715496.db2.gz MCKRMJCBPSGWEZ-UHFFFAOYSA-N 1 0 349.366 2.236 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1c(C)cccc1C ZINC001479843237 1099133492 /nfs/dbraw/zinc/13/34/92/1099133492.db2.gz ALRFZHQUROCJMT-NVXWUHKLSA-N 1 0 333.432 2.297 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccnc1 ZINC001498507365 1107651337 /nfs/dbraw/zinc/65/13/37/1107651337.db2.gz NYIFNCXICYIUQL-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001457431061 1109596305 /nfs/dbraw/zinc/59/63/05/1109596305.db2.gz WRWHXYJDASTSBG-UHFFFAOYSA-N 1 0 344.371 2.333 10 5 EEBERO CCOC(=O)CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001459391527 1110166867 /nfs/dbraw/zinc/16/68/67/1110166867.db2.gz HWUKLAXHAYDWEK-INIZCTEOSA-N 1 0 336.388 2.293 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)C(C)(C)OC ZINC001460825372 1110325160 /nfs/dbraw/zinc/32/51/60/1110325160.db2.gz DMRJAHHCHHCEOM-NSHDSACASA-N 1 0 339.392 2.335 10 5 EEBERO COc1ccc(OCC[N@@H+]2CC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001460857201 1110326402 /nfs/dbraw/zinc/32/64/02/1110326402.db2.gz LFFQBFSLEBVDNC-CYBMUJFWSA-N 1 0 344.371 2.262 10 5 EEBERO CC(C)C1(O)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001460952515 1110329643 /nfs/dbraw/zinc/32/96/43/1110329643.db2.gz MOQLDVLBOVLALI-UHFFFAOYSA-N 1 0 335.404 2.406 10 5 EEBERO C[C@H](C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001526620138 1120554964 /nfs/dbraw/zinc/55/49/64/1120554964.db2.gz GWJSTCGVKYVLMS-GUYCJALGSA-N 1 0 348.399 2.495 10 5 EEBERO CN(C)c1ccc(COC(=O)C23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC001528609595 1121089838 /nfs/dbraw/zinc/08/98/38/1121089838.db2.gz REUNZZDBQHXCPN-UHFFFAOYSA-N 1 0 333.388 2.332 10 5 EEBERO Cc1ncccc1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568909411 1124937390 /nfs/dbraw/zinc/93/73/90/1124937390.db2.gz BWGFUGITLKGAAQ-PLNGDYQASA-N 1 0 340.383 2.374 10 5 EEBERO Cc1[nH]nc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447724895 242308307 /nfs/dbraw/zinc/30/83/07/242308307.db2.gz ZBRZRVFBYQXJGP-LBPRGKRZSA-N 1 0 345.359 2.264 10 5 EEBERO CCOC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC12COC2 ZINC000451131898 243010081 /nfs/dbraw/zinc/01/00/81/243010081.db2.gz HSPXDFVUVLBQFR-XJKSGUPXSA-N 1 0 348.399 2.476 10 5 EEBERO COc1ccc(OCC[N@@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451902465 243302988 /nfs/dbraw/zinc/30/29/88/243302988.db2.gz OMFAWXWECXVFMT-QGZVFWFLSA-N 1 0 336.388 2.485 10 5 EEBERO Cc1cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000153854922 224167481 /nfs/dbraw/zinc/16/74/81/224167481.db2.gz WKKOEMYECXUTTL-CJNGLKHVSA-N 1 0 348.403 2.088 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130293818 292371140 /nfs/dbraw/zinc/37/11/40/292371140.db2.gz CCCZJHNPHCXITR-UHFFFAOYSA-N 1 0 335.404 2.454 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341974960 161028579 /nfs/dbraw/zinc/02/85/79/161028579.db2.gz IBGBXBNQIREMIF-SUMWQHHRSA-N 1 0 333.388 2.424 10 5 EEBERO CO[C@@H](C)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000343518994 161143220 /nfs/dbraw/zinc/14/32/20/161143220.db2.gz CIRJJIKSHXEOMG-UONOGXRCSA-N 1 0 326.393 2.080 10 5 EEBERO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426158 162131370 /nfs/dbraw/zinc/13/13/70/162131370.db2.gz RBFUGMOTGCKKNN-AWEZNQCLSA-N 1 0 335.404 2.342 10 5 EEBERO CNC(=O)CCOC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000355124219 163087750 /nfs/dbraw/zinc/08/77/50/163087750.db2.gz BPJGFGLLJVNAFU-XQRVVYSFSA-N 1 0 347.415 2.225 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000122988790 222194961 /nfs/dbraw/zinc/19/49/61/222194961.db2.gz IJUUOQGZRSUNMZ-DGCLKSJQSA-N 1 0 334.376 2.304 10 5 EEBERO C[NH+](C)C1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000487392493 273790905 /nfs/dbraw/zinc/79/09/05/273790905.db2.gz MFYSGRYVVOLXQI-UHFFFAOYSA-N 1 0 327.331 2.016 10 5 EEBERO COC(=O)c1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1[N+](=O)[O-] ZINC000095416561 274000372 /nfs/dbraw/zinc/00/03/72/274000372.db2.gz IQYLAPSEVBAUDJ-OLZOCXBDSA-N 1 0 333.388 2.363 10 5 EEBERO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284100032 293031470 /nfs/dbraw/zinc/03/14/70/293031470.db2.gz OLJOOWMQBZTJFU-DXCKQFNASA-N 1 0 349.431 2.395 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351069845 312362940 /nfs/dbraw/zinc/36/29/40/312362940.db2.gz BSLYRPDELISQDR-UHFFFAOYSA-N 1 0 339.315 2.040 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000525033118 317037469 /nfs/dbraw/zinc/03/74/69/317037469.db2.gz BBFHXMRPYXIBIP-ZFWWWQNUSA-N 1 0 349.431 2.335 10 5 EEBERO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531629135 317809384 /nfs/dbraw/zinc/80/93/84/317809384.db2.gz HJAQYNCFEAVQJF-UHFFFAOYSA-N 1 0 346.362 2.333 10 5 EEBERO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000532388485 317861662 /nfs/dbraw/zinc/86/16/62/317861662.db2.gz LLTKXNGEZAQTSB-INIZCTEOSA-N 1 0 334.420 2.476 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000577749958 320273896 /nfs/dbraw/zinc/27/38/96/320273896.db2.gz HNMWYOLLJWFAMN-WMLDXEAASA-N 1 0 347.415 2.262 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000113271327 462584360 /nfs/dbraw/zinc/58/43/60/462584360.db2.gz PDHISCSNJFKWRW-SWLSCSKDSA-N 1 0 333.388 2.130 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000097162590 463339502 /nfs/dbraw/zinc/33/95/02/463339502.db2.gz MCKKHZISIGPUOQ-ZYHUDNBSSA-N 1 0 347.462 2.007 10 5 EEBERO Cc1c(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000105869852 463483234 /nfs/dbraw/zinc/48/32/34/463483234.db2.gz ICHSBFBUNCOZCK-UHFFFAOYSA-N 1 0 343.431 2.345 10 5 EEBERO CC[C@@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000125511779 463552052 /nfs/dbraw/zinc/55/20/52/463552052.db2.gz QZAFHSGYKMVUJO-GFCCVEGCSA-N 1 0 341.383 2.290 10 5 EEBERO CC[N@@H+]1CCC[C@H](Nc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000112075927 463690169 /nfs/dbraw/zinc/69/01/69/463690169.db2.gz CQBXVXPREOQLJM-AWEZNQCLSA-N 1 0 332.404 2.383 10 5 EEBERO O=C(NC1CC1)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000112077184 463690255 /nfs/dbraw/zinc/69/02/55/463690255.db2.gz VGRMKGYOOWIKOJ-OAHLLOKOSA-N 1 0 344.415 2.162 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173524902 464276490 /nfs/dbraw/zinc/27/64/90/464276490.db2.gz CNFMTSWDUJEBNZ-KGLIPLIRSA-N 1 0 334.420 2.256 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000173625408 464295633 /nfs/dbraw/zinc/29/56/33/464295633.db2.gz BJAFMFZAZXWDGP-CQSZACIVSA-N 1 0 347.415 2.229 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000284913214 464389306 /nfs/dbraw/zinc/38/93/06/464389306.db2.gz VLHYMZIEYYSCFZ-HNNXBMFYSA-N 1 0 335.404 2.354 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC000599918197 468413130 /nfs/dbraw/zinc/41/31/30/468413130.db2.gz WSHIKPXZGCOWNW-UONOGXRCSA-N 1 0 349.435 2.145 10 5 EEBERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000190446334 464647392 /nfs/dbraw/zinc/64/73/92/464647392.db2.gz MQUBHUOELPRFRP-HNNXBMFYSA-N 1 0 327.388 2.343 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295067321 464694132 /nfs/dbraw/zinc/69/41/32/464694132.db2.gz ZQAORQRUTNMDOV-NSHDSACASA-N 1 0 348.403 2.005 10 5 EEBERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182925630 464759576 /nfs/dbraw/zinc/75/95/76/464759576.db2.gz XOTDJYUVCSZCSL-BLLLJJGKSA-N 1 0 329.356 2.245 10 5 EEBERO CC1(C)OCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295247806 464760593 /nfs/dbraw/zinc/76/05/93/464760593.db2.gz QBBBXTFFJFWPOB-LBPRGKRZSA-N 1 0 327.768 2.344 10 5 EEBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]12 ZINC000248644535 464777663 /nfs/dbraw/zinc/77/76/63/464777663.db2.gz SACAMXGZXWNIFY-AQUOVQTQSA-N 1 0 343.305 2.423 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191252655 464808280 /nfs/dbraw/zinc/80/82/80/464808280.db2.gz IZELSGUOIUNTQA-STQMWFEESA-N 1 0 335.404 2.466 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000192853589 465009656 /nfs/dbraw/zinc/00/96/56/465009656.db2.gz UVLYDOODFCNCTB-INIZCTEOSA-N 1 0 328.372 2.331 10 5 EEBERO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccco1 ZINC000359541437 465443044 /nfs/dbraw/zinc/44/30/44/465443044.db2.gz DMEQZQYVAWKNQJ-RYUDHWBXSA-N 1 0 349.391 2.263 10 5 EEBERO Cn1cc(N2CC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)C2)cn1 ZINC000361011559 465702096 /nfs/dbraw/zinc/70/20/96/465702096.db2.gz JMJNRGICPMWXBK-LBPRGKRZSA-N 1 0 335.795 2.350 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362452098 465751985 /nfs/dbraw/zinc/75/19/85/465751985.db2.gz UWOYZJOXAHDQIP-XJKSGUPXSA-N 1 0 333.388 2.343 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000366655009 465856850 /nfs/dbraw/zinc/85/68/50/465856850.db2.gz XPSDVZFMDYPDDF-KRWDZBQOSA-N 1 0 349.431 2.290 10 5 EEBERO C[C@@]1(c2ccccc2)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000362712770 465962432 /nfs/dbraw/zinc/96/24/32/465962432.db2.gz XKDTUGVEJOVJFM-GOSISDBHSA-N 1 0 327.384 2.420 10 5 EEBERO CC(C)[C@H]1CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353670626 466053505 /nfs/dbraw/zinc/05/35/05/466053505.db2.gz MKHLYTTUJJRAPU-CABCVRRESA-N 1 0 326.418 2.393 10 5 EEBERO CC(C)[C@H]1CC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000353670630 466053887 /nfs/dbraw/zinc/05/38/87/466053887.db2.gz MKHLYTTUJJRAPU-HUUCEWRRSA-N 1 0 326.418 2.393 10 5 EEBERO C[NH+](C)C[C@H](O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807191 466470257 /nfs/dbraw/zinc/47/02/57/466470257.db2.gz GRMRPQKKUXAFQC-MSOLQXFVSA-N 1 0 329.400 2.196 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000341063213 466553232 /nfs/dbraw/zinc/55/32/32/466553232.db2.gz DVYTVPHPWXPLEU-KBPBESRZSA-N 1 0 335.404 2.353 10 5 EEBERO CNc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000325167224 466654868 /nfs/dbraw/zinc/65/48/68/466654868.db2.gz NLJATAZNGMUOBA-AGUYFDCRSA-N 1 0 332.404 2.382 10 5 EEBERO O=C(CCN1CCOC[C@H]1CC(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411721305 466885763 /nfs/dbraw/zinc/88/57/63/466885763.db2.gz HZWDZXQWYLXENU-CYBMUJFWSA-N 1 0 343.330 2.279 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000450897054 467199749 /nfs/dbraw/zinc/19/97/49/467199749.db2.gz PVOZZLOTVGESMF-LLVKDONJSA-N 1 0 334.332 2.072 10 5 EEBERO CN(C(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409941 467398814 /nfs/dbraw/zinc/39/88/14/467398814.db2.gz XRNSVRHZMNAKBR-WMLDXEAASA-N 1 0 346.431 2.022 10 5 EEBERO Cc1c(Br)c(N[C@H]2C[NH2+]CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000389794078 467401405 /nfs/dbraw/zinc/40/14/05/467401405.db2.gz NZVCFLRLSMXVDS-CBAPKCEASA-N 1 0 329.198 2.471 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC2([NH+](C)C)CCC2)c1 ZINC000589513618 468158453 /nfs/dbraw/zinc/15/84/53/468158453.db2.gz KTRKLBBDJSMRCO-UHFFFAOYSA-N 1 0 335.404 2.298 10 5 EEBERO CCCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600470125 468567856 /nfs/dbraw/zinc/56/78/56/468567856.db2.gz GBXCORCXEOTUBS-GFCCVEGCSA-N 1 0 335.408 2.017 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600712647 468629155 /nfs/dbraw/zinc/62/91/55/468629155.db2.gz ZCGHRZKYIWPQKB-ARFHVFGLSA-N 1 0 329.404 2.148 10 5 EEBERO [NH3+][C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000592563297 468730080 /nfs/dbraw/zinc/73/00/80/468730080.db2.gz SVVFGLLVDVZJRM-OAHLLOKOSA-N 1 0 346.774 2.228 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000594951872 468730265 /nfs/dbraw/zinc/73/02/65/468730265.db2.gz NQOFARKFJCJDJL-UHFFFAOYSA-N 1 0 326.418 2.208 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC(O)(C1CC1)C1CC1)OCCO2 ZINC000594984349 468738253 /nfs/dbraw/zinc/73/82/53/468738253.db2.gz SUYGGXCLOUXFBS-UHFFFAOYSA-N 1 0 334.372 2.007 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000601115329 468746834 /nfs/dbraw/zinc/74/68/34/468746834.db2.gz FZUDPIOFLQNZNI-JTQLQIEISA-N 1 0 347.341 2.412 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226226 468788423 /nfs/dbraw/zinc/78/84/23/468788423.db2.gz RPMBKXDZMQOKCN-XJKSGUPXSA-N 1 0 332.404 2.293 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC000601398131 468857573 /nfs/dbraw/zinc/85/75/73/468857573.db2.gz ACFVXQSKEJCJEX-JTQLQIEISA-N 1 0 347.462 2.117 10 5 EEBERO Nc1nccc([C@H]2CCCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595461342 468861994 /nfs/dbraw/zinc/86/19/94/468861994.db2.gz MIXIHKIYKKCQFC-NSHDSACASA-N 1 0 331.351 2.486 10 5 EEBERO COCC[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593101273 468871726 /nfs/dbraw/zinc/87/17/26/468871726.db2.gz PICCLQAQCQDTPC-UHFFFAOYSA-N 1 0 337.420 2.016 10 5 EEBERO COC(=O)c1ccnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000598598071 468927600 /nfs/dbraw/zinc/92/76/00/468927600.db2.gz YTIVUUVYHOAXIU-CYBMUJFWSA-N 1 0 348.403 2.231 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595632330 468931879 /nfs/dbraw/zinc/93/18/79/468931879.db2.gz NPQDKSDVADOZQC-XKQJLSEDSA-N 1 0 338.404 2.129 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595635379 468932693 /nfs/dbraw/zinc/93/26/93/468932693.db2.gz ULZCYESIFWZRRQ-GLQYFDAESA-N 1 0 326.368 2.390 10 5 EEBERO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c2c(c1)COCO2 ZINC000595752664 468987868 /nfs/dbraw/zinc/98/78/68/468987868.db2.gz VDXJPVRSHNOIED-QGZVFWFLSA-N 1 0 334.372 2.198 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595781516 469006503 /nfs/dbraw/zinc/00/65/03/469006503.db2.gz LMWWLJDLSUBDQC-GJZGRUSLSA-N 1 0 333.388 2.125 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595785538 469009671 /nfs/dbraw/zinc/00/96/71/469009671.db2.gz XJGHVHMECSIELH-HUUCEWRRSA-N 1 0 333.388 2.125 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000595905724 469075866 /nfs/dbraw/zinc/07/58/66/469075866.db2.gz RSDAWMKYOOWZDL-HNNXBMFYSA-N 1 0 325.384 2.277 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000595930022 469087541 /nfs/dbraw/zinc/08/75/41/469087541.db2.gz MCVRRSWFWPHRJB-DGCLKSJQSA-N 1 0 343.387 2.194 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(F)F)CC1 ZINC000601975225 469121558 /nfs/dbraw/zinc/12/15/58/469121558.db2.gz MLEXCLVGVCYGOS-ZWNOBZJWSA-N 1 0 343.330 2.278 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000599164737 469145325 /nfs/dbraw/zinc/14/53/25/469145325.db2.gz LGQXNKDEVJNAIL-GFCCVEGCSA-N 1 0 334.376 2.205 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@H]31)OCCO2 ZINC000611285352 469220293 /nfs/dbraw/zinc/22/02/93/469220293.db2.gz GKDUTKPHNQSUES-TZMCWYRMSA-N 1 0 334.372 2.367 10 5 EEBERO C[C@H]1C[N@H+](CCO)CCN1c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596266609 469226776 /nfs/dbraw/zinc/22/67/76/469226776.db2.gz VBCTVKNPVZRSMI-JTQLQIEISA-N 1 0 333.310 2.116 10 5 EEBERO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000611525035 469272240 /nfs/dbraw/zinc/27/22/40/469272240.db2.gz FFBZMIOTLSFKIZ-MRXNPFEDSA-N 1 0 330.388 2.384 10 5 EEBERO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c2c(c1)COCO2 ZINC000599635457 469318246 /nfs/dbraw/zinc/31/82/46/469318246.db2.gz KEHVENXTDGTUKC-WMLDXEAASA-N 1 0 334.372 2.056 10 5 EEBERO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@](C)(O)CO)cc1[N+](=O)[O-] ZINC000619464358 469615584 /nfs/dbraw/zinc/61/55/84/469615584.db2.gz ZKQKKFDAMZGFPQ-GOSISDBHSA-N 1 0 345.399 2.196 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[C@H]2C1 ZINC000646914849 470774171 /nfs/dbraw/zinc/77/41/71/470774171.db2.gz DUPQCUDLWGLLCW-KUHUBIRLSA-N 1 0 347.418 2.457 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000418990517 533985102 /nfs/dbraw/zinc/98/51/02/533985102.db2.gz CUKMQNJYVPNKEU-STQMWFEESA-N 1 0 330.388 2.034 10 5 EEBERO CC[NH+](CC)[C@H](C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179568547 528269519 /nfs/dbraw/zinc/26/95/19/528269519.db2.gz WKKXCCUJKFCGHJ-SECBINFHSA-N 1 0 335.451 2.202 10 5 EEBERO CC[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000181532681 529154781 /nfs/dbraw/zinc/15/47/81/529154781.db2.gz GJKZGNCAKVEAHM-MRXNPFEDSA-N 1 0 328.372 2.347 10 5 EEBERO CC[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181533451 529174243 /nfs/dbraw/zinc/17/42/43/529174243.db2.gz UYQQKGHZJBXUMZ-NVXWUHKLSA-N 1 0 338.404 2.192 10 5 EEBERO CN1C(=O)CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000424317481 536310126 /nfs/dbraw/zinc/31/01/26/536310126.db2.gz OHXZFNBYOBTVMC-QEJZJMRPSA-N 1 0 345.399 2.043 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1 ZINC000726944133 576354981 /nfs/dbraw/zinc/35/49/81/576354981.db2.gz WARYJPIOWYTNJJ-VMPITWQZSA-N 1 0 329.360 2.005 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760552922 577665522 /nfs/dbraw/zinc/66/55/22/577665522.db2.gz SQNAMAAXXFRQDV-LLVKDONJSA-N 1 0 345.346 2.089 10 5 EEBERO C[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000763901684 577727723 /nfs/dbraw/zinc/72/77/23/577727723.db2.gz MJGFQXMRXXNMFS-GXSJLCMTSA-N 1 0 327.768 2.201 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC000898840373 693488288 /nfs/dbraw/zinc/48/82/88/693488288.db2.gz JBNCVEJCGVPSRF-CABCVRRESA-N 1 0 333.388 2.206 10 5 EEBERO Cc1nscc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001266680108 1177181632 /nfs/dbraw/zinc/18/16/32/1177181632.db2.gz CQUNSKSFHMBGAQ-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C(F)(F)F)CC1 ZINC001266843510 1177531750 /nfs/dbraw/zinc/53/17/50/1177531750.db2.gz UDQXHSBHPSXVDG-UHFFFAOYSA-N 1 0 345.321 2.485 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cccnc1 ZINC001670738237 1178231012 /nfs/dbraw/zinc/23/10/12/1178231012.db2.gz AKFAESSHFCAEOM-UHFFFAOYSA-N 1 0 326.356 2.042 10 5 EEBERO C[N@H+](CCNC(=O)c1ocnc1C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267217252 1178520911 /nfs/dbraw/zinc/52/09/11/1178520911.db2.gz CLNCAUSLMLUEOO-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO Cc1c(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)ccn1C ZINC001481275889 1180648189 /nfs/dbraw/zinc/64/81/89/1180648189.db2.gz RMDFMVGMAVPHBM-UHFFFAOYSA-N 1 0 336.417 2.165 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cc(C)on1 ZINC001268434533 1182608527 /nfs/dbraw/zinc/60/85/27/1182608527.db2.gz GTQRMOMUTJQZEZ-UHFFFAOYSA-N 1 0 338.389 2.205 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001268504410 1183079529 /nfs/dbraw/zinc/07/95/29/1183079529.db2.gz CADHPSZIGHSTEP-OWOJBTEDSA-N 1 0 326.356 2.066 10 5 EEBERO CCc1nc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])co1 ZINC001483001077 1187981435 /nfs/dbraw/zinc/98/14/35/1187981435.db2.gz QOCNVBAUKBVHRN-AATRIKPKSA-N 1 0 344.371 2.221 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(F)F ZINC001485243052 1191707044 /nfs/dbraw/zinc/70/70/44/1191707044.db2.gz DJJVFIFMCUYXIF-UHFFFAOYSA-N 1 0 335.376 2.496 10 5 EEBERO CC1(C)CC[NH2+]CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000872292775 1198133014 /nfs/dbraw/zinc/13/30/14/1198133014.db2.gz QTBDVFMAAGIUKG-UHFFFAOYSA-N 1 0 334.420 2.387 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000880182916 1201414928 /nfs/dbraw/zinc/41/49/28/1201414928.db2.gz FCNDCFWUQAONCR-INMHGKMJSA-N 1 0 334.372 2.046 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)n1 ZINC000866444149 1201519548 /nfs/dbraw/zinc/51/95/48/1201519548.db2.gz CYCUXUNHBJONKE-BMPDIWQESA-N 1 0 332.404 2.288 10 5 EEBERO C[C@]([NH3+])(C(=O)N[C@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867943125 1201711175 /nfs/dbraw/zinc/71/11/75/1201711175.db2.gz MSIFNEABEPRAGG-QFBILLFUSA-N 1 0 339.395 2.442 10 5 EEBERO CC(=O)c1c(NC2CC[NH+]([C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000882114191 1201817739 /nfs/dbraw/zinc/81/77/39/1201817739.db2.gz PEHHJVYNVGJPNO-AWEZNQCLSA-N 1 0 333.388 2.463 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887938900 1204513642 /nfs/dbraw/zinc/51/36/42/1204513642.db2.gz FJPPYOGZVBIMJW-VUNQQRPYSA-N 1 0 329.400 2.108 10 5 EEBERO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000929429442 1206473964 /nfs/dbraw/zinc/47/39/64/1206473964.db2.gz JPCPGBTVAZZLFA-KGLIPLIRSA-N 1 0 327.425 2.375 10 5 EEBERO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2c3ccccc3OC[C@H]2CO)cc1 ZINC000934216591 1207924219 /nfs/dbraw/zinc/92/42/19/1207924219.db2.gz ONLSCOGCGOYJDB-RDTXWAMCSA-N 1 0 328.368 2.469 10 5 EEBERO CC[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000900967538 1235058714 /nfs/dbraw/zinc/05/87/14/1235058714.db2.gz LNHCMUAIGWAYDL-OAHLLOKOSA-N 1 0 345.403 2.234 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903533348 1240826678 /nfs/dbraw/zinc/82/66/78/1240826678.db2.gz FALKIPPDXLUVIB-VXGBXAGGSA-N 1 0 333.310 2.315 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001187913389 1279697941 /nfs/dbraw/zinc/69/79/41/1279697941.db2.gz KSGLTTNVQDRCSV-KWCYVHTRSA-N 1 0 333.388 2.442 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000855164225 1293096023 /nfs/dbraw/zinc/09/60/23/1293096023.db2.gz JSAZXKHLFHZXQJ-SECBINFHSA-N 1 0 327.331 2.476 10 5 EEBERO CC[C@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000857764879 1293910500 /nfs/dbraw/zinc/91/05/00/1293910500.db2.gz CSLPKZPVOHROLN-GWCFXTLKSA-N 1 0 343.330 2.152 10 5 EEBERO C[C@H]([NH3+])CN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000859686361 1294598773 /nfs/dbraw/zinc/59/87/73/1294598773.db2.gz VWHPCOPHYOWCQJ-ZETCQYMHSA-N 1 0 331.170 2.168 10 5 EEBERO CC[C@H](C)[N@H+](C)CCN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000863503870 1296311595 /nfs/dbraw/zinc/31/15/95/1296311595.db2.gz SPUXXMBRFLMSPU-YVEFUNNKSA-N 1 0 348.403 2.092 10 5 EEBERO CC(C)(CCc1noc(Cc2cccc3c2CC[NH2+]C3)n1)[N+](=O)[O-] ZINC000863675632 1296380977 /nfs/dbraw/zinc/38/09/77/1296380977.db2.gz WVMYWHLADOIJEG-UHFFFAOYSA-N 1 0 330.388 2.294 10 5 EEBERO Cn1nnc2c1C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000927142919 1297034588 /nfs/dbraw/zinc/03/45/88/1297034588.db2.gz AHVZHRTYCKXHHI-GOEBONIOSA-N 1 0 341.415 2.192 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccccn1 ZINC001276991429 1300709256 /nfs/dbraw/zinc/70/92/56/1300709256.db2.gz GJIPVEUKZVUKIB-UHFFFAOYSA-N 1 0 326.356 2.042 10 5 EEBERO C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C1CCCC1 ZINC001123944494 1310769153 /nfs/dbraw/zinc/76/91/53/1310769153.db2.gz YJBFIXHLUOGZAP-GFCCVEGCSA-N 1 0 332.404 2.266 10 5 EEBERO COCCC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001266176264 1323745180 /nfs/dbraw/zinc/74/51/80/1323745180.db2.gz HDZCOWJVCXOEBT-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO O=C(NCC1([NH2+]CC/C=C/c2ccccc2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480311 1324247290 /nfs/dbraw/zinc/24/72/90/1324247290.db2.gz JWMAPYFDPYGGFG-VAJLHQMSSA-N 1 0 343.427 2.384 10 5 EEBERO C[NH+](C)[C@H]1C[C@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC001299821513 1330168010 /nfs/dbraw/zinc/16/80/10/1330168010.db2.gz KCXOUGGUCPCHKL-HOTGVXAUSA-N 1 0 344.415 2.394 10 5 EEBERO CSc1ccc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001304524703 1331387739 /nfs/dbraw/zinc/38/77/39/1331387739.db2.gz KJQLREVMFVWKGW-ZDUSSCGKSA-N 1 0 335.429 2.388 10 5 EEBERO Cc1ncccc1CC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317461944 1332252959 /nfs/dbraw/zinc/25/29/59/1332252959.db2.gz JPRYUGYFCAZMQD-UHFFFAOYSA-N 1 0 342.399 2.089 10 5 EEBERO C[N@H+](CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[C@H]1O ZINC001557580015 1342450929 /nfs/dbraw/zinc/45/09/29/1342450929.db2.gz NRNAKKKTSNQLTM-NVXWUHKLSA-N 1 0 347.415 2.109 10 5 EEBERO COC(=O)C[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001560083997 1342506979 /nfs/dbraw/zinc/50/69/79/1342506979.db2.gz FZXBNOJJXOWNFG-QGZVFWFLSA-N 1 0 349.387 2.245 10 5 EEBERO CC(C)(C)OCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001565863499 1342570728 /nfs/dbraw/zinc/57/07/28/1342570728.db2.gz MMOWYBISPCFQIE-SHTZXODSSA-N 1 0 349.431 2.394 10 5 EEBERO CC[C@@H](NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC001679150675 1357629439 /nfs/dbraw/zinc/62/94/39/1357629439.db2.gz GSIPIXCXNZSMCQ-IMJJTQAJSA-N 1 0 332.404 2.391 10 5 EEBERO Cc1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC001637719268 1352679655 /nfs/dbraw/zinc/67/96/55/1352679655.db2.gz FUKXLWIBKRUUFO-UHFFFAOYSA-N 1 0 329.360 2.194 10 5 EEBERO C[C@@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001641928775 1352727109 /nfs/dbraw/zinc/72/71/09/1352727109.db2.gz YSTQQFZOABZSTR-PSBWJHGTSA-N 1 0 343.427 2.022 10 5 EEBERO COCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001649438446 1353505190 /nfs/dbraw/zinc/50/51/90/1353505190.db2.gz IFGPIUAZSMECAL-HDJSIYSDSA-N 1 0 335.404 2.004 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccccc1C1CC1 ZINC001660128080 1354401287 /nfs/dbraw/zinc/40/12/87/1354401287.db2.gz GMIZXFLOXGFTLJ-IAGOWNOFSA-N 1 0 331.416 2.167 10 5 EEBERO Cc1c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000073185333 784027329 /nfs/dbraw/zinc/02/73/29/784027329.db2.gz QFKRTACIASNBOU-CQSZACIVSA-N 1 0 336.388 2.417 10 5 EEBERO CC(C)c1noc(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000818987111 785353801 /nfs/dbraw/zinc/35/38/01/785353801.db2.gz SSOZKTLPGYCRFC-AWEZNQCLSA-N 1 0 334.376 2.357 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000823979947 788005963 /nfs/dbraw/zinc/00/59/63/788005963.db2.gz FFYVOAXHYYVQEB-FZMZJTMJSA-N 1 0 335.408 2.371 10 5 EEBERO C[C@@]1(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[NH+]2CCC1CC2 ZINC000912382168 788134457 /nfs/dbraw/zinc/13/44/57/788134457.db2.gz IYZXVOOEHRPFGI-GOSISDBHSA-N 1 0 346.431 2.387 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C[C@]2(C)C1 ZINC000913284826 788761714 /nfs/dbraw/zinc/76/17/14/788761714.db2.gz REGKSCVVXLJCML-ROUUACIJSA-N 1 0 342.399 2.490 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844433984 789119847 /nfs/dbraw/zinc/11/98/47/789119847.db2.gz PGTZHZKYGLZPQF-HIFRSBDPSA-N 1 0 342.342 2.456 10 5 EEBERO CN1C[C@]2(C)C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000823755514 798762528 /nfs/dbraw/zinc/76/25/28/798762528.db2.gz PWSFTVLXPKDDRE-HDICACEKSA-N 1 0 346.431 2.197 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000791126844 809065072 /nfs/dbraw/zinc/06/50/72/809065072.db2.gz KHCOJZBCTJYWNV-LLVKDONJSA-N 1 0 343.786 2.482 10 5 EEBERO CCn1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001566497923 1125664503 /nfs/dbraw/zinc/66/45/03/1125664503.db2.gz MDGUBCLRGMEWKG-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cc(C)on1 ZINC001497362835 1102385152 /nfs/dbraw/zinc/38/51/52/1102385152.db2.gz WIYMHFWZTAECPE-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001447750887 1103231762 /nfs/dbraw/zinc/23/17/62/1103231762.db2.gz WEMUEBRVVRUSME-HIFRSBDPSA-N 1 0 347.415 2.305 10 5 EEBERO Cc1nnsc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001498510745 1107656656 /nfs/dbraw/zinc/65/66/56/1107656656.db2.gz LJYMTFVGTOESMU-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccsc1 ZINC001493467126 1108199099 /nfs/dbraw/zinc/19/90/99/1108199099.db2.gz KGQXUWMNORXHRD-UHFFFAOYSA-N 1 0 333.413 2.447 10 5 EEBERO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)[N@H+](C)Cc1ccccc1 ZINC001465155908 1110411991 /nfs/dbraw/zinc/41/19/91/1110411991.db2.gz CLOMDAQBMAUDGW-ZDUSSCGKSA-N 1 0 342.399 2.427 10 5 EEBERO CC(C)CC(=O)NC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001503830979 1113908647 /nfs/dbraw/zinc/90/86/47/1113908647.db2.gz QLNKGDNVFTUAKI-UHFFFAOYSA-N 1 0 349.431 2.084 10 5 EEBERO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001543363975 1124128650 /nfs/dbraw/zinc/12/86/50/1124128650.db2.gz MMRATMWLBIJVQC-LLVKDONJSA-N 1 0 340.811 2.435 10 5 EEBERO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C(C)=C1CCCC1 ZINC001568734870 1124748730 /nfs/dbraw/zinc/74/87/30/1124748730.db2.gz YPUKJYAHNDZMPW-UHFFFAOYSA-N 1 0 349.435 2.157 10 5 EEBERO CC[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181533260 529619092 /nfs/dbraw/zinc/61/90/92/529619092.db2.gz UYQQKGHZJBXUMZ-RDJZCZTQSA-N 1 0 338.404 2.192 10 5 EEBERO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187909824 236336236 /nfs/dbraw/zinc/33/62/36/236336236.db2.gz QOFGSXMMVXXDEG-YVEFUNNKSA-N 1 0 336.388 2.444 10 5 EEBERO C[C@@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)CS(C)(=O)=O ZINC000451554169 243157064 /nfs/dbraw/zinc/15/70/64/243157064.db2.gz ZLHPWPJOHCFEFQ-ZFWWWQNUSA-N 1 0 340.445 2.455 10 5 EEBERO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451890345 243294683 /nfs/dbraw/zinc/29/46/83/243294683.db2.gz NCWOEFYUUTWDKK-UHFFFAOYSA-N 1 0 335.451 2.055 10 5 EEBERO CNC(=O)CCOC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000494964394 247042108 /nfs/dbraw/zinc/04/21/08/247042108.db2.gz OWMIUWLLFFCATK-ZDUSSCGKSA-N 1 0 335.404 2.273 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000091983468 218098061 /nfs/dbraw/zinc/09/80/61/218098061.db2.gz NIDPFCSSFCSQJX-WCQYABFASA-N 1 0 334.376 2.304 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC[N@@H+](C3CC3)CC2)c2c(c1)COCO2 ZINC000061041092 285086766 /nfs/dbraw/zinc/08/67/66/285086766.db2.gz QTZUCCWRSNNSEC-UHFFFAOYSA-N 1 0 333.388 2.131 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000191713778 152269638 /nfs/dbraw/zinc/26/96/38/152269638.db2.gz JLZBDZIKWLZSBT-BLLLJJGKSA-N 1 0 345.403 2.232 10 5 EEBERO C[NH2+][C@@H](C)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000261591118 160399733 /nfs/dbraw/zinc/39/97/33/160399733.db2.gz VBKQOMJPCGOWBF-ZETCQYMHSA-N 1 0 335.145 2.219 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000109821335 159354029 /nfs/dbraw/zinc/35/40/29/159354029.db2.gz AAYXRGPAMBGXPG-QGZVFWFLSA-N 1 0 349.431 2.160 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000174123238 159796777 /nfs/dbraw/zinc/79/67/77/159796777.db2.gz IPWYMFSLASWQCH-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000188221234 160119390 /nfs/dbraw/zinc/11/93/90/160119390.db2.gz FTLWQCMYINVZHK-CYBMUJFWSA-N 1 0 343.449 2.158 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000245468327 160237870 /nfs/dbraw/zinc/23/78/70/160237870.db2.gz KOYSAFBCYYQKTM-CJNGLKHVSA-N 1 0 334.420 2.338 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000245655178 160247135 /nfs/dbraw/zinc/24/71/35/160247135.db2.gz CLLKJPWGALGWHH-WBVHZDCISA-N 1 0 346.431 2.406 10 5 EEBERO C[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000358969498 164026116 /nfs/dbraw/zinc/02/61/16/164026116.db2.gz CRGBMRDMIBTFFI-VIFPVBQESA-N 1 0 343.330 2.409 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123808504 222334053 /nfs/dbraw/zinc/33/40/53/222334053.db2.gz SJPCSEIDKUVXKD-ZIAGYGMSSA-N 1 0 334.420 2.256 10 5 EEBERO Cc1cc(N2CCO[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000274367031 269028049 /nfs/dbraw/zinc/02/80/49/269028049.db2.gz FNATZOWJBLBCMP-KRWDZBQOSA-N 1 0 329.356 2.447 10 5 EEBERO C[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000277487029 274297485 /nfs/dbraw/zinc/29/74/85/274297485.db2.gz OOSUTOGRKRHGSZ-GXFFZTMASA-N 1 0 325.340 2.077 10 5 EEBERO COC(=O)c1cc(C)nc(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000286198857 274847291 /nfs/dbraw/zinc/84/72/91/274847291.db2.gz RHQLDDQALXYSKQ-UHFFFAOYSA-N 1 0 334.376 2.124 10 5 EEBERO CC(=O)c1cc(NC2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000286278567 274855684 /nfs/dbraw/zinc/85/56/84/274855684.db2.gz WWAGQYUZJOSWRE-UHFFFAOYSA-N 1 0 334.420 2.235 10 5 EEBERO O=C1CCc2cc([N+](=O)[O-])c(N3CC[N@@H+]4CCCC[C@@H]4C3)cc2N1 ZINC000170639556 275018487 /nfs/dbraw/zinc/01/84/87/275018487.db2.gz ZHJXMUIVZOAHFE-CYBMUJFWSA-N 1 0 330.388 2.154 10 5 EEBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1-n1cccn1 ZINC000183134639 279473315 /nfs/dbraw/zinc/47/33/15/279473315.db2.gz BDSIMOVBAYKFHD-ZDUSSCGKSA-N 1 0 326.360 2.328 10 5 EEBERO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000357850565 281389252 /nfs/dbraw/zinc/38/92/52/281389252.db2.gz AKWAXQYHZDPSHY-LRDDRELGSA-N 1 0 345.403 2.058 10 5 EEBERO CC(C)[C@H](O)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000292936474 293082585 /nfs/dbraw/zinc/08/25/85/293082585.db2.gz NBMFWTFZXJBMOA-MRXNPFEDSA-N 1 0 347.419 2.000 10 5 EEBERO CC[C@H](O)C[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000301980978 294917119 /nfs/dbraw/zinc/91/71/19/294917119.db2.gz AVKNGIVFGBNQAV-AWEZNQCLSA-N 1 0 344.415 2.344 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000417721582 313576317 /nfs/dbraw/zinc/57/63/17/313576317.db2.gz UBYFXDPPMUQCAY-DZGCQCFKSA-N 1 0 349.435 2.002 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000431478163 314635595 /nfs/dbraw/zinc/63/55/95/314635595.db2.gz QCODEKLCFDCTSG-UHFFFAOYSA-N 1 0 349.435 2.011 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000525033115 317037206 /nfs/dbraw/zinc/03/72/06/317037206.db2.gz BBFHXMRPYXIBIP-DZGCQCFKSA-N 1 0 349.431 2.335 10 5 EEBERO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000542892936 318146786 /nfs/dbraw/zinc/14/67/86/318146786.db2.gz GOAVAPVPBGIJGJ-JTQLQIEISA-N 1 0 343.330 2.268 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000565087477 319147715 /nfs/dbraw/zinc/14/77/15/319147715.db2.gz PAZVKEVPJHXGPQ-CJNGLKHVSA-N 1 0 340.420 2.241 10 5 EEBERO CC(C)OC[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000579583355 323886043 /nfs/dbraw/zinc/88/60/43/323886043.db2.gz PLQYGCTZPDLDJP-CYBMUJFWSA-N 1 0 336.310 2.489 10 5 EEBERO CC(C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCN(C)CC1 ZINC000327113813 465047971 /nfs/dbraw/zinc/04/79/71/465047971.db2.gz GFRCAOXDTZGGRH-MRXNPFEDSA-N 1 0 346.435 2.155 10 5 EEBERO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000155352107 462878298 /nfs/dbraw/zinc/87/82/98/462878298.db2.gz AGIHHTJUGMARTP-GHMZBOCLSA-N 1 0 325.796 2.342 10 5 EEBERO CCn1cnnc1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137051968 463275039 /nfs/dbraw/zinc/27/50/39/463275039.db2.gz COSZQDBEWCNSOW-INIZCTEOSA-N 1 0 345.403 2.119 10 5 EEBERO O=[N+]([O-])c1cc(I)ccc1NC1CC[NH2+]CC1 ZINC000097348935 463355030 /nfs/dbraw/zinc/35/50/30/463355030.db2.gz PIUDYWHLYKNXII-UHFFFAOYSA-N 1 0 347.156 2.363 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000071911475 463470066 /nfs/dbraw/zinc/47/00/66/463470066.db2.gz HTHNURCBFUUBLG-CQSZACIVSA-N 1 0 347.415 2.168 10 5 EEBERO O=[N+]([O-])c1ccc2nc(NC[C@@H](O)C[NH+]3CCCCC3)ccc2c1 ZINC000170642758 463687545 /nfs/dbraw/zinc/68/75/45/463687545.db2.gz KKULUCJDWMBIBY-OAHLLOKOSA-N 1 0 330.388 2.402 10 5 EEBERO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000283173490 463791783 /nfs/dbraw/zinc/79/17/83/463791783.db2.gz DSESRZRTLQSZDI-KGLIPLIRSA-N 1 0 334.420 2.338 10 5 EEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000261601685 463797704 /nfs/dbraw/zinc/79/77/04/463797704.db2.gz BXILXXFWSLQODY-PHDAOHEYSA-N 1 0 346.431 2.419 10 5 EEBERO C[NH2+]C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000237165555 464276223 /nfs/dbraw/zinc/27/62/23/464276223.db2.gz CHGPFCYNGDSLRB-UHFFFAOYSA-N 1 0 349.434 2.365 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525526 464276749 /nfs/dbraw/zinc/27/67/49/464276749.db2.gz UYBICOMAETYGAQ-KGLIPLIRSA-N 1 0 337.420 2.397 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH3+])CCCCCC1 ZINC000237667999 464360594 /nfs/dbraw/zinc/36/05/94/464360594.db2.gz CKQIFCVAXAEMBH-UHFFFAOYSA-N 1 0 341.433 2.233 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174196597 464374627 /nfs/dbraw/zinc/37/46/27/464374627.db2.gz QGBLEBWECSKZQA-YHWZYXNKSA-N 1 0 333.388 2.349 10 5 EEBERO COCCC[N@H+](C)CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000276648945 465015121 /nfs/dbraw/zinc/01/51/21/465015121.db2.gz WJAKNQFPGCLVQP-UHFFFAOYSA-N 1 0 343.811 2.255 10 5 EEBERO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091295 468439704 /nfs/dbraw/zinc/43/97/04/468439704.db2.gz CXRWQGAEDUSGFG-JTQLQIEISA-N 1 0 341.799 2.436 10 5 EEBERO CN(CC[NH+]1CCCC1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597094369 468441440 /nfs/dbraw/zinc/44/14/40/468441440.db2.gz GAKIQSOQDJPJDH-UHFFFAOYSA-N 1 0 341.799 2.390 10 5 EEBERO COc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000301726151 466019295 /nfs/dbraw/zinc/01/92/95/466019295.db2.gz PZOIBYVICMKAEO-CABCVRRESA-N 1 0 335.404 2.029 10 5 EEBERO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000349253148 466039603 /nfs/dbraw/zinc/03/96/03/466039603.db2.gz PQZDSWHUZQEFSF-MRXNPFEDSA-N 1 0 349.431 2.476 10 5 EEBERO NC(=O)C1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000340463482 466108376 /nfs/dbraw/zinc/10/83/76/466108376.db2.gz QRCNSFNJOZXTTM-UHFFFAOYSA-N 1 0 343.330 2.330 10 5 EEBERO C[N@@H+]1CC[C@@](O)(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253539 466574251 /nfs/dbraw/zinc/57/42/51/466574251.db2.gz OBAHSKOWLGKFGA-RTBURBONSA-N 1 0 341.411 2.340 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000423659440 466797541 /nfs/dbraw/zinc/79/75/41/466797541.db2.gz FCBFIYQPZBASJW-KWQFWETISA-N 1 0 347.293 2.098 10 5 EEBERO CC(=O)c1ccc2c(c1)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000374383718 467043606 /nfs/dbraw/zinc/04/36/06/467043606.db2.gz GYCOFBPGFDUBOV-UHFFFAOYSA-N 1 0 328.372 2.095 10 5 EEBERO COCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413065673 467164345 /nfs/dbraw/zinc/16/43/45/467164345.db2.gz VJFVVFPTAPPSPG-UHFFFAOYSA-N 1 0 348.325 2.167 10 5 EEBERO O=[N+]([O-])c1cccnc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397709019 467443273 /nfs/dbraw/zinc/44/32/73/467443273.db2.gz YHXHAUCKIBLGEX-UHFFFAOYSA-N 1 0 342.399 2.429 10 5 EEBERO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000415101442 467489368 /nfs/dbraw/zinc/48/93/68/467489368.db2.gz BLNMQQGDRDYMKH-ZFWWWQNUSA-N 1 0 325.434 2.375 10 5 EEBERO C[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000487031760 468018921 /nfs/dbraw/zinc/01/89/21/468018921.db2.gz ADOLQWYVDWDHRT-JTQLQIEISA-N 1 0 339.342 2.182 10 5 EEBERO CCC[C@@]1(CO)CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589517094 468159848 /nfs/dbraw/zinc/15/98/48/468159848.db2.gz UXBDXGYELDLLNE-QGZVFWFLSA-N 1 0 336.388 2.366 10 5 EEBERO CN1CCC[N@H+](CCCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000589860732 468191344 /nfs/dbraw/zinc/19/13/44/468191344.db2.gz OXZJLVGSGVFPNI-UHFFFAOYSA-N 1 0 343.431 2.004 10 5 EEBERO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(=O)OC(C)(C)C ZINC000570276763 468615969 /nfs/dbraw/zinc/61/59/69/468615969.db2.gz QWAKFUPAOGCSGY-OLZOCXBDSA-N 1 0 338.408 2.091 10 5 EEBERO C[NH2+]CCOCCN(C)c1cc(C)c([N+](=O)[O-])cc1Br ZINC000600954230 468696282 /nfs/dbraw/zinc/69/62/82/468696282.db2.gz UEDQZMUHOUGIJL-UHFFFAOYSA-N 1 0 346.225 2.338 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000592522702 468719587 /nfs/dbraw/zinc/71/95/87/468719587.db2.gz FIFANBAWNCHENX-YVGNARHYSA-N 1 0 346.431 2.050 10 5 EEBERO CN1CCC([NH+]2CCC(Nc3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000601109881 468745089 /nfs/dbraw/zinc/74/50/89/468745089.db2.gz VIUSKPWCNPPKDA-UHFFFAOYSA-N 1 0 337.399 2.099 10 5 EEBERO CC[N@@H+]1CCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000595536985 468892555 /nfs/dbraw/zinc/89/25/55/468892555.db2.gz ZKWDXTZGXJUZTD-CYBMUJFWSA-N 1 0 335.404 2.298 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593207003 468904435 /nfs/dbraw/zinc/90/44/35/468904435.db2.gz UWVLSBPKQFUUFL-UHFFFAOYSA-N 1 0 325.384 2.371 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)c1 ZINC000595680352 468952704 /nfs/dbraw/zinc/95/27/04/468952704.db2.gz ZROFORQBLOVUFS-WFASDCNBSA-N 1 0 336.388 2.364 10 5 EEBERO CC1(C)CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCO ZINC000593477080 468996720 /nfs/dbraw/zinc/99/67/20/468996720.db2.gz TZVMDYRHYIYVBP-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779452 469004680 /nfs/dbraw/zinc/00/46/80/469004680.db2.gz FFONUSSCLNECTK-CHWSQXEVSA-N 1 0 339.779 2.080 10 5 EEBERO CCO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000598913529 469047145 /nfs/dbraw/zinc/04/71/45/469047145.db2.gz KNQLNOFOUDJUET-NOZJJQNGSA-N 1 0 342.783 2.076 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000595905878 469075373 /nfs/dbraw/zinc/07/53/73/469075373.db2.gz IBCOROVCCBLVKF-ZDUSSCGKSA-N 1 0 325.384 2.277 10 5 EEBERO COCC[N@@H+]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599025783 469093444 /nfs/dbraw/zinc/09/34/44/469093444.db2.gz QNQAQKPQWSSIIR-UHFFFAOYSA-N 1 0 330.388 2.302 10 5 EEBERO CC(C)Oc1nc(N2CC[NH+](CCCF)CC2)ccc1[N+](=O)[O-] ZINC000599094565 469117064 /nfs/dbraw/zinc/11/70/64/469117064.db2.gz VXQGPMZUAZVRJB-UHFFFAOYSA-N 1 0 326.372 2.259 10 5 EEBERO C[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000563002649 469131674 /nfs/dbraw/zinc/13/16/74/469131674.db2.gz HNWJSFWRHQAAJX-HLPPOEQASA-N 1 0 338.404 2.128 10 5 EEBERO COC(=O)c1c(Cl)c(N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000596056626 469131867 /nfs/dbraw/zinc/13/18/67/469131867.db2.gz ZDYJGTVAPRRJMC-UHFFFAOYSA-N 1 0 327.768 2.177 10 5 EEBERO CC1(C)CCC[C@](CO)([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599596306 469303953 /nfs/dbraw/zinc/30/39/53/469303953.db2.gz RFWWULWWMWEJCC-KRWDZBQOSA-N 1 0 335.404 2.115 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000599605523 469306801 /nfs/dbraw/zinc/30/68/01/469306801.db2.gz YTCSACWTSIRWAA-INIZCTEOSA-N 1 0 348.403 2.217 10 5 EEBERO Cc1c(CN(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cnn1C ZINC000619221268 469552877 /nfs/dbraw/zinc/55/28/77/469552877.db2.gz NLKQMODKGVIBAV-UHFFFAOYSA-N 1 0 332.360 2.040 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000610064125 469977634 /nfs/dbraw/zinc/97/76/34/469977634.db2.gz PYLMPJCWHNWVAO-VIFPVBQESA-N 1 0 342.193 2.181 10 5 EEBERO COc1ccc(NC(=O)CC[N@@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000171694145 534066857 /nfs/dbraw/zinc/06/68/57/534066857.db2.gz YPMNRERZZNMHMX-NSHDSACASA-N 1 0 339.417 2.369 10 5 EEBERO C/C(=C/C(=O)NC[C@H](C)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752423333 577770761 /nfs/dbraw/zinc/77/07/61/577770761.db2.gz MUNCOHJEZSVOAR-XFNCEPBJSA-N 1 0 347.415 2.083 10 5 EEBERO Cc1cccc(C2(O)CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000747963329 577953041 /nfs/dbraw/zinc/95/30/41/577953041.db2.gz VNFCTGJMOILZLO-UHFFFAOYSA-N 1 0 344.415 2.392 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928433658 683113442 /nfs/dbraw/zinc/11/34/42/683113442.db2.gz AWPYVXULJNUTBD-WCBMZHEXSA-N 1 0 329.303 2.019 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898849375 693484487 /nfs/dbraw/zinc/48/44/87/693484487.db2.gz RYEYXQOPBKSXNJ-HUUCEWRRSA-N 1 0 333.388 2.206 10 5 EEBERO COc1ccc(CC(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898840321 693487985 /nfs/dbraw/zinc/48/79/85/693487985.db2.gz ILVNINYFMBMTFO-CVEARBPZSA-N 1 0 347.415 2.135 10 5 EEBERO Cc1nc(CC(=O)NCCN(C)Cc2cccc([N+](=O)[O-])c2)cs1 ZINC001266357392 1176392576 /nfs/dbraw/zinc/39/25/76/1176392576.db2.gz WSXOBABERYEKQT-UHFFFAOYSA-N 1 0 348.428 2.150 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)c[nH]1 ZINC001267345216 1178795677 /nfs/dbraw/zinc/79/56/77/1178795677.db2.gz GNVWMMZXWGAGPC-UHFFFAOYSA-N 1 0 336.779 2.438 10 5 EEBERO CCCc1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001267412019 1178974487 /nfs/dbraw/zinc/97/44/87/1178974487.db2.gz QIDYLLDYFXCOTE-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO O=C(NCC1([NH2+]CCCc2ccccc2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482217870 1184262272 /nfs/dbraw/zinc/26/22/72/1184262272.db2.gz FANQHRRNVBENNU-IAGOWNOFSA-N 1 0 345.443 2.303 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1ncc[nH]1 ZINC001482219125 1184273888 /nfs/dbraw/zinc/27/38/88/1184273888.db2.gz ZNBKWKORHLZZGZ-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872021581 1198028885 /nfs/dbraw/zinc/02/88/85/1198028885.db2.gz CMQHUIMSERKYCQ-NSHDSACASA-N 1 0 347.412 2.056 10 5 EEBERO C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])CN1CCOCC1 ZINC000872038194 1198033512 /nfs/dbraw/zinc/03/35/12/1198033512.db2.gz LGMUXOUOUOHPKL-STQMWFEESA-N 1 0 325.384 2.353 10 5 EEBERO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000866168437 1201453608 /nfs/dbraw/zinc/45/36/08/1201453608.db2.gz YRBBFQYYVOWJBH-UHFFFAOYSA-N 1 0 348.403 2.171 10 5 EEBERO CN(C(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000880509293 1201507419 /nfs/dbraw/zinc/50/74/19/1201507419.db2.gz ZGNULIDLMRLQLK-WBVHZDCISA-N 1 0 333.388 2.249 10 5 EEBERO COCC[N@H+]1[C@H](C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000826632991 1204607989 /nfs/dbraw/zinc/60/79/89/1204607989.db2.gz MZWSYWTVABBCII-TXEJJXNPSA-N 1 0 333.392 2.017 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccnc(F)c1 ZINC001275898809 1205579442 /nfs/dbraw/zinc/57/94/42/1205579442.db2.gz RGGPXIAVPQVRNT-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cncc(F)c1 ZINC001275948113 1205599811 /nfs/dbraw/zinc/59/98/11/1205599811.db2.gz VZSZWUGGBLTBTO-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO C[C@@H]1C[NH2+]C[C@H]1CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000925802427 1206155412 /nfs/dbraw/zinc/15/54/12/1206155412.db2.gz GKSPMHUFSBNSMI-UNEWFSDZSA-N 1 0 343.431 2.253 10 5 EEBERO CC[C@](O)(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000929986594 1206525628 /nfs/dbraw/zinc/52/56/28/1206525628.db2.gz HMZABJLYYXTDMJ-GWCFXTLKSA-N 1 0 348.325 2.179 10 5 EEBERO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)OC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000930208387 1206541425 /nfs/dbraw/zinc/54/14/25/1206541425.db2.gz OTSAJRJLGMXMSJ-CHWSQXEVSA-N 1 0 335.404 2.271 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903533345 1240827081 /nfs/dbraw/zinc/82/70/81/1240827081.db2.gz FALKIPPDXLUVIB-NEPJUHHUSA-N 1 0 333.310 2.315 10 5 EEBERO [NH3+][C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C(F)(F)F ZINC000903538275 1240846809 /nfs/dbraw/zinc/84/68/09/1240846809.db2.gz AWSNGWWPDIYZOS-UWVGGRQHSA-N 1 0 344.293 2.448 10 5 EEBERO Cc1c(CC(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000797310119 1280504908 /nfs/dbraw/zinc/50/49/08/1280504908.db2.gz QXKXESIEPMNHMN-HNNXBMFYSA-N 1 0 336.388 2.098 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765619 1293910736 /nfs/dbraw/zinc/91/07/36/1293910736.db2.gz IPYJEVIXYLFWOZ-GFCCVEGCSA-N 1 0 331.319 2.056 10 5 EEBERO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOC2CCOCC2)n1 ZINC000927080514 1297009745 /nfs/dbraw/zinc/00/97/45/1297009745.db2.gz TXQVSDIFMGRZHZ-CABCVRRESA-N 1 0 338.408 2.060 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC000931316192 1297133008 /nfs/dbraw/zinc/13/30/08/1297133008.db2.gz HHCQVTXMOIEMCP-ROUUACIJSA-N 1 0 347.415 2.155 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1(CCF)CC1 ZINC001277125976 1301399039 /nfs/dbraw/zinc/39/90/39/1301399039.db2.gz ZPXVCUHFARLFIT-UHFFFAOYSA-N 1 0 335.379 2.473 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854510 1315624346 /nfs/dbraw/zinc/62/43/46/1315624346.db2.gz BNPCNMXMNVYKPB-ZANVPECISA-N 1 0 326.784 2.045 10 5 EEBERO C[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)(c2ccccc2)CC1 ZINC001149686852 1316014936 /nfs/dbraw/zinc/01/49/36/1316014936.db2.gz IOYZZIAKACWXOH-UHFFFAOYSA-N 1 0 342.399 2.316 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001258067090 1319164826 /nfs/dbraw/zinc/16/48/26/1319164826.db2.gz OXBABKASLQAITQ-CHWSQXEVSA-N 1 0 336.392 2.370 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccc(F)cc2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282607467 1325751294 /nfs/dbraw/zinc/75/12/94/1325751294.db2.gz PICZHRMGNXYNNL-HZPDHXFCSA-N 1 0 349.406 2.400 10 5 EEBERO C[C@@H]1C[C@H](Nc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC001559122380 1342497984 /nfs/dbraw/zinc/49/79/84/1342497984.db2.gz FKHYFKCUOHZQDH-GHMZBOCLSA-N 1 0 345.359 2.368 10 5 EEBERO CC/C(C)=C\C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001566971723 1342670603 /nfs/dbraw/zinc/67/06/03/1342670603.db2.gz CEKHFKZMPYOZIZ-BTAXXWJRSA-N 1 0 329.400 2.498 10 5 EEBERO Cc1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594215503 1349874939 /nfs/dbraw/zinc/87/49/39/1349874939.db2.gz WNGOYYOFYKXYTE-KBPBESRZSA-N 1 0 348.359 2.120 10 5 EEBERO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001651084997 1354039511 /nfs/dbraw/zinc/03/95/11/1354039511.db2.gz CDPFIRCNOAONDS-CQSZACIVSA-N 1 0 346.431 2.482 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC001654567702 1354152477 /nfs/dbraw/zinc/15/24/77/1354152477.db2.gz CUYTYBOMRUZFJX-NWDGAFQWSA-N 1 0 331.376 2.315 10 5 EEBERO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001655814947 1354185602 /nfs/dbraw/zinc/18/56/02/1354185602.db2.gz NFWXBINGGUTPNF-ZDUSSCGKSA-N 1 0 334.763 2.500 10 5 EEBERO COc1ccc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001663320739 1354948208 /nfs/dbraw/zinc/94/82/08/1354948208.db2.gz FHTZTXRVMWVBIA-UHFFFAOYSA-N 1 0 343.383 2.465 10 5 EEBERO CCOCC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001665902844 1355407161 /nfs/dbraw/zinc/40/71/61/1355407161.db2.gz QCQIMXRXKSWAGV-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC001669096550 1356092555 /nfs/dbraw/zinc/09/25/55/1356092555.db2.gz LXJFYBSKWQZNKW-SNAWJCMRSA-N 1 0 340.383 2.374 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000816643587 784164393 /nfs/dbraw/zinc/16/43/93/784164393.db2.gz JTGZBCAKGWYTAB-UHFFFAOYSA-N 1 0 348.359 2.061 10 5 EEBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH2+]C[C@@H](O)C1CC1 ZINC000818941340 785333270 /nfs/dbraw/zinc/33/32/70/785333270.db2.gz SMWQMVYOXFGIAK-CYBMUJFWSA-N 1 0 333.310 2.386 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923539484 789744088 /nfs/dbraw/zinc/74/40/88/789744088.db2.gz PLVIBLWWOPCFBB-GOSISDBHSA-N 1 0 346.431 2.450 10 5 EEBERO O=C(NC12CC[NH+](CC1)C2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000913635311 794007113 /nfs/dbraw/zinc/00/71/13/794007113.db2.gz ZLRUGBDFFIICJL-UHFFFAOYSA-N 1 0 329.278 2.192 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001441513975 1095206914 /nfs/dbraw/zinc/20/69/14/1095206914.db2.gz RZPAQSSZBJXKFE-STQMWFEESA-N 1 0 334.420 2.396 10 5 EEBERO C[N@H+](CCCNC(=O)c1ccsn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001479778389 1098962396 /nfs/dbraw/zinc/96/23/96/1098962396.db2.gz AWJLMIRBIMFWCH-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc[nH]1 ZINC001493349138 1107968423 /nfs/dbraw/zinc/96/84/23/1107968423.db2.gz QJJLEUJKVJOINR-UHFFFAOYSA-N 1 0 328.372 2.317 10 5 EEBERO C[N@H+](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)C ZINC001457613850 1109695050 /nfs/dbraw/zinc/69/50/50/1109695050.db2.gz QJIAUYQMSJYPPA-UHFFFAOYSA-N 1 0 346.391 2.296 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccc2c[nH+]cn2c1 ZINC001460746281 1110322515 /nfs/dbraw/zinc/32/25/15/1110322515.db2.gz VJEPGYBEIYMIFG-UHFFFAOYSA-N 1 0 339.355 2.361 10 5 EEBERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001464098027 1110387399 /nfs/dbraw/zinc/38/73/99/1110387399.db2.gz DIECYWWQTRSQAJ-AWEZNQCLSA-N 1 0 334.420 2.243 10 5 EEBERO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc2cnccc2o1 ZINC001473743518 1110579388 /nfs/dbraw/zinc/57/93/88/1110579388.db2.gz GUYGVCWRRLNZME-NSHDSACASA-N 1 0 328.328 2.249 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC001537804431 1124014572 /nfs/dbraw/zinc/01/45/72/1124014572.db2.gz RINHNFFSXLHLRT-CQSZACIVSA-N 1 0 332.404 2.102 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001542464442 1124113662 /nfs/dbraw/zinc/11/36/62/1124113662.db2.gz DPEHHLFBNVJVEJ-ZDUSSCGKSA-N 1 0 337.807 2.487 10 5 EEBERO Cc1nc(N(C)C2CC[NH+](CCn3cccn3)CC2)ccc1[N+](=O)[O-] ZINC000150772974 201389974 /nfs/dbraw/zinc/38/99/74/201389974.db2.gz KGAKDWVWRFQKCV-UHFFFAOYSA-N 1 0 344.419 2.096 10 5 EEBERO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451254124 243049975 /nfs/dbraw/zinc/04/99/75/243049975.db2.gz OIWOOCGJZITEAS-JSGCOSHPSA-N 1 0 332.360 2.238 10 5 EEBERO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000451257959 243052812 /nfs/dbraw/zinc/05/28/12/243052812.db2.gz QTZQQKKCKXPODM-UKRRQHHQSA-N 1 0 335.404 2.325 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000071892883 203138669 /nfs/dbraw/zinc/13/86/69/203138669.db2.gz JOAGIBWBUDIPKI-HNNXBMFYSA-N 1 0 338.477 2.258 10 5 EEBERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ncc(Br)cc1[N+](=O)[O-] ZINC000040750594 203672454 /nfs/dbraw/zinc/67/24/54/203672454.db2.gz RMLAKPPHHUYHOC-PBINXNQUSA-N 1 0 327.182 2.211 10 5 EEBERO CC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000105837208 204170069 /nfs/dbraw/zinc/17/00/69/204170069.db2.gz IVLNGJRZIXXZDL-HNNXBMFYSA-N 1 0 337.420 2.016 10 5 EEBERO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN(c2cccnn2)C1 ZINC000105802955 204160559 /nfs/dbraw/zinc/16/05/59/204160559.db2.gz XXYNYNVFOXLBDW-HNNXBMFYSA-N 1 0 327.388 2.486 10 5 EEBERO CN(c1cccnn1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000105806303 204161897 /nfs/dbraw/zinc/16/18/97/204161897.db2.gz HEQRSVPOCINVMJ-UHFFFAOYSA-N 1 0 327.388 2.486 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805813 204162839 /nfs/dbraw/zinc/16/28/39/204162839.db2.gz PIDHNDYYLGJNID-UHFFFAOYSA-N 1 0 343.387 2.340 10 5 EEBERO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000176859818 207268946 /nfs/dbraw/zinc/26/89/46/207268946.db2.gz MCYXSALBUGKAHB-NSHDSACASA-N 1 0 329.422 2.051 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177714285 207381249 /nfs/dbraw/zinc/38/12/49/207381249.db2.gz FZOCDFCGBBRDTF-KBPBESRZSA-N 1 0 334.420 2.338 10 5 EEBERO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559619 159197953 /nfs/dbraw/zinc/19/79/53/159197953.db2.gz SUSDKPUWSFWSHI-CXAGYDPISA-N 1 0 343.383 2.081 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000194651868 160197621 /nfs/dbraw/zinc/19/76/21/160197621.db2.gz ZNKQNNOYTTVOAE-CQSZACIVSA-N 1 0 347.415 2.229 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195311863 160210150 /nfs/dbraw/zinc/21/01/50/160210150.db2.gz QPFZZYDZJCNQLQ-AWEZNQCLSA-N 1 0 330.388 2.089 10 5 EEBERO CCOCC[N@@H+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000246951820 160302659 /nfs/dbraw/zinc/30/26/59/160302659.db2.gz BJPLVCSHSUIWRY-CQSZACIVSA-N 1 0 337.420 2.146 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341974957 161028691 /nfs/dbraw/zinc/02/86/91/161028691.db2.gz IBGBXBNQIREMIF-CXAGYDPISA-N 1 0 333.388 2.424 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC000342222504 161048874 /nfs/dbraw/zinc/04/88/74/161048874.db2.gz MIQTVMKAKKCTQL-TXEJJXNPSA-N 1 0 336.392 2.451 10 5 EEBERO CC(C)(NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368296023 166084434 /nfs/dbraw/zinc/08/44/34/166084434.db2.gz IPVIORMUERSNND-LBPRGKRZSA-N 1 0 343.387 2.410 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375327418 167112971 /nfs/dbraw/zinc/11/29/71/167112971.db2.gz JAWMDEZNQYOKHW-INIZCTEOSA-N 1 0 333.388 2.343 10 5 EEBERO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCOC1 ZINC000361590631 276122006 /nfs/dbraw/zinc/12/20/06/276122006.db2.gz VHXHVQLFQNNARN-ZDUSSCGKSA-N 1 0 337.376 2.043 10 5 EEBERO C[NH+](C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)c1ccco1 ZINC000301592443 294872673 /nfs/dbraw/zinc/87/26/73/294872673.db2.gz DNUMSAXLKUPAQL-ZDUSSCGKSA-N 1 0 346.343 2.234 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(NC[C@H](c3ccco3)[NH+]3CCCC3)nn21 ZINC000301842283 294901639 /nfs/dbraw/zinc/90/16/39/294901639.db2.gz QCKZINDHTIFEQC-GFCCVEGCSA-N 1 0 342.359 2.480 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415505502 313135185 /nfs/dbraw/zinc/13/51/85/313135185.db2.gz QKLULWTWYPFZKN-TXEJJXNPSA-N 1 0 334.376 2.067 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700263 313168181 /nfs/dbraw/zinc/16/81/81/313168181.db2.gz LXYQIUZEDSSMEW-CPCISQLKSA-N 1 0 343.181 2.311 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000563392681 319005875 /nfs/dbraw/zinc/00/58/75/319005875.db2.gz OQYNDHUALOFRCB-AWEZNQCLSA-N 1 0 337.420 2.034 10 5 EEBERO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000570617730 319681301 /nfs/dbraw/zinc/68/13/01/319681301.db2.gz NSPLNIYDAHQYPW-SUMWQHHRSA-N 1 0 332.404 2.441 10 5 EEBERO Cc1cnc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000577606858 320265425 /nfs/dbraw/zinc/26/54/25/320265425.db2.gz PAXCDMHMUGTESS-UHFFFAOYSA-N 1 0 341.415 2.366 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000590654456 468296969 /nfs/dbraw/zinc/29/69/69/468296969.db2.gz BXYJKLHPMLDVDR-CYBMUJFWSA-N 1 0 347.415 2.298 10 5 EEBERO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCS1 ZINC000128514754 462646627 /nfs/dbraw/zinc/64/66/27/462646627.db2.gz ACOOJRPLAODONQ-JTQLQIEISA-N 1 0 327.381 2.500 10 5 EEBERO CC(C)CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000080248666 463299583 /nfs/dbraw/zinc/29/95/83/463299583.db2.gz PYKIQHIAVWHSKS-UHFFFAOYSA-N 1 0 349.435 2.259 10 5 EEBERO CC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000123868965 463375114 /nfs/dbraw/zinc/37/51/14/463375114.db2.gz YSXCTCPGVURQRJ-INIZCTEOSA-N 1 0 349.431 2.015 10 5 EEBERO COc1nccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000579554244 468373117 /nfs/dbraw/zinc/37/31/17/468373117.db2.gz TXQYBMLZDFOKTD-UHFFFAOYSA-N 1 0 327.344 2.207 10 5 EEBERO C[C@H](NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262119607 463952177 /nfs/dbraw/zinc/95/21/77/463952177.db2.gz BTFILWGKWXXMJP-WMNQNFFBSA-N 1 0 347.415 2.305 10 5 EEBERO C[C@H]1C[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C ZINC000172765474 464141085 /nfs/dbraw/zinc/14/10/85/464141085.db2.gz XGMPXDNSKCKGKI-AAEUAGOBSA-N 1 0 332.404 2.398 10 5 EEBERO COc1ccc(OCCN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000173748114 464312399 /nfs/dbraw/zinc/31/23/99/464312399.db2.gz DHFMPAHDVDJCMY-UONOGXRCSA-N 1 0 335.404 2.151 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000181618128 464514916 /nfs/dbraw/zinc/51/49/16/464514916.db2.gz VKCBGUJTCZLDAZ-NSHDSACASA-N 1 0 341.314 2.116 10 5 EEBERO CNc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000579823130 468417221 /nfs/dbraw/zinc/41/72/21/468417221.db2.gz SQIUXYPHEHWGES-UKRRQHHQSA-N 1 0 332.404 2.241 10 5 EEBERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000348202091 465487504 /nfs/dbraw/zinc/48/75/04/465487504.db2.gz VACZZVRMYHHKSX-MRXNPFEDSA-N 1 0 333.388 2.059 10 5 EEBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000346160605 465946765 /nfs/dbraw/zinc/94/67/65/465946765.db2.gz XEOHKFSFYWWYPF-BETUJISGSA-N 1 0 335.404 2.398 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@H]1C ZINC000349589632 466154648 /nfs/dbraw/zinc/15/46/48/466154648.db2.gz ZFLKDOMPADJMDC-OLZOCXBDSA-N 1 0 344.419 2.309 10 5 EEBERO CNc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000357850885 466263782 /nfs/dbraw/zinc/26/37/82/466263782.db2.gz FDVRQRKDRSXATL-UHFFFAOYSA-N 1 0 332.404 2.383 10 5 EEBERO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000600227382 468501316 /nfs/dbraw/zinc/50/13/16/468501316.db2.gz AZIDDQCUAYSXQQ-GFCCVEGCSA-N 1 0 335.408 2.017 10 5 EEBERO CO[C@@H](C)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000354460446 466583722 /nfs/dbraw/zinc/58/37/22/466583722.db2.gz RVTZAWVSUVKFTH-DZGCQCFKSA-N 1 0 326.393 2.080 10 5 EEBERO O=C(CC[N@@H+]1CCO[C@@H](C2CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411843598 466915142 /nfs/dbraw/zinc/91/51/42/466915142.db2.gz ILHJVUHDXIYOQD-MRXNPFEDSA-N 1 0 333.388 2.424 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424041782 466961675 /nfs/dbraw/zinc/96/16/75/466961675.db2.gz UTRHVDVCPLWWBN-GOEBONIOSA-N 1 0 344.346 2.004 10 5 EEBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418002019 467018324 /nfs/dbraw/zinc/01/83/24/467018324.db2.gz YDIDCGRWTMDWCJ-GWCFXTLKSA-N 1 0 340.811 2.088 10 5 EEBERO C[C@@H](Cc1ccoc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449239053 467625446 /nfs/dbraw/zinc/62/54/46/467625446.db2.gz ULZFLHCVBCWNCH-LBPRGKRZSA-N 1 0 338.385 2.182 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)n1 ZINC000597703118 468644113 /nfs/dbraw/zinc/64/41/13/468644113.db2.gz CTTXVCLVNSOLEU-UHFFFAOYSA-N 1 0 349.435 2.055 10 5 EEBERO O=C1C[C@@H](N2CCC[C@H](CCF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594659653 468646117 /nfs/dbraw/zinc/64/61/17/468646117.db2.gz HABZBQKARQIPBK-IUODEOHRSA-N 1 0 349.362 2.298 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476062 468706702 /nfs/dbraw/zinc/70/67/02/468706702.db2.gz NZAKFTRFRNHNEV-ZBFHGGJFSA-N 1 0 346.431 2.306 10 5 EEBERO COC(=O)COc1ccc(C[NH2+]C[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594978178 468737041 /nfs/dbraw/zinc/73/70/41/468737041.db2.gz QPTJITYPXBDIMN-AWEZNQCLSA-N 1 0 344.314 2.282 10 5 EEBERO C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+](C2CC2)C1 ZINC000601170644 468768721 /nfs/dbraw/zinc/76/87/21/468768721.db2.gz SJDHRMYNYAMPPJ-SECBINFHSA-N 1 0 347.341 2.268 10 5 EEBERO O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595254535 468794413 /nfs/dbraw/zinc/79/44/13/468794413.db2.gz ZBVYNISXONSHBI-KRWDZBQOSA-N 1 0 341.367 2.324 10 5 EEBERO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595269707 468797798 /nfs/dbraw/zinc/79/77/98/468797798.db2.gz QXOMSSFMWDDBKA-IAGOWNOFSA-N 1 0 339.395 2.399 10 5 EEBERO Cn1ccnc1[C@H](NCC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298435 468815997 /nfs/dbraw/zinc/81/59/97/468815997.db2.gz HVEXKUFEVGKNTJ-QWHCGFSZSA-N 1 0 340.330 2.023 10 5 EEBERO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601338416 468831481 /nfs/dbraw/zinc/83/14/81/468831481.db2.gz UPAPBFFKCBUFCU-UHFFFAOYSA-N 1 0 347.462 2.117 10 5 EEBERO Cc1c(Br)c(NCCC2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC000593233274 468911918 /nfs/dbraw/zinc/91/19/18/468911918.db2.gz NVDIFHJPWNOIQD-UHFFFAOYSA-N 1 0 343.225 2.862 10 5 EEBERO Cn1ccnc1[C@H](NCCC1(C[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000593318538 468937363 /nfs/dbraw/zinc/93/73/63/468937363.db2.gz CYSNVBHAYKMJDP-OAHLLOKOSA-N 1 0 329.404 2.136 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([NH+]2CCOCC2)CC1 ZINC000599102386 469120233 /nfs/dbraw/zinc/12/02/33/469120233.db2.gz DZFWYYALLLJZOJ-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC000611395631 469241318 /nfs/dbraw/zinc/24/13/18/469241318.db2.gz QOSJWKVTEFIJRS-IRXDYDNUSA-N 1 0 330.388 2.283 10 5 EEBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000599626625 469315026 /nfs/dbraw/zinc/31/50/26/469315026.db2.gz XIWYHBUQFRBJRX-PVTKRXDGSA-N 1 0 349.387 2.294 10 5 EEBERO Cc1ccnc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596422178 485612974 /nfs/dbraw/zinc/61/29/74/485612974.db2.gz CEUFEUVMEXDIAR-INIZCTEOSA-N 1 0 342.399 2.477 10 5 EEBERO CC[NH+]1CCN(c2ccc(Nc3ccncc3[N+](=O)[O-])cc2)CC1 ZINC000727430848 576426805 /nfs/dbraw/zinc/42/68/05/576426805.db2.gz FNNNQFRIMSECEH-UHFFFAOYSA-N 1 0 327.388 2.297 10 5 EEBERO C[C@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000760499915 577664194 /nfs/dbraw/zinc/66/41/94/577664194.db2.gz BUPWLRCSBIWKKE-LBPRGKRZSA-N 1 0 336.461 2.462 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751503028 577754448 /nfs/dbraw/zinc/75/44/48/577754448.db2.gz WKOPZKABZRUNDI-PFONDFGASA-N 1 0 347.415 2.179 10 5 EEBERO COCC[N@@H+]1CCC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000750170864 577988449 /nfs/dbraw/zinc/98/84/49/577988449.db2.gz BJDVBQNLISMQPE-NSHDSACASA-N 1 0 327.356 2.265 10 5 EEBERO O=C(CCC(F)F)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001266605177 1176942034 /nfs/dbraw/zinc/94/20/34/1176942034.db2.gz BHSLJBYJPXHMCC-HAQNSBGRSA-N 1 0 327.331 2.377 10 5 EEBERO Cc1conc1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001481192954 1180053314 /nfs/dbraw/zinc/05/33/14/1180053314.db2.gz DHETZNQGMBYNGY-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(F)c1 ZINC001481351232 1181096188 /nfs/dbraw/zinc/09/61/88/1181096188.db2.gz YIUSXKAIYHODSO-HZPDHXFCSA-N 1 0 337.395 2.208 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1conc1C ZINC001268475728 1182880195 /nfs/dbraw/zinc/88/01/95/1182880195.db2.gz JLFXZAALBXNQFH-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CCOCC(=O)NCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001482036091 1183192295 /nfs/dbraw/zinc/19/22/95/1183192295.db2.gz CKBNOWMYQNFWLW-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)c(C)n1 ZINC001486368331 1193868417 /nfs/dbraw/zinc/86/84/17/1193868417.db2.gz OFGRMMKFUHRWMS-IAGOWNOFSA-N 1 0 348.447 2.032 10 5 EEBERO C[C@@H](NC[C@@H]1CCC[N@@H+]1CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872076082 1198040575 /nfs/dbraw/zinc/04/05/75/1198040575.db2.gz XCSCLGHTPPNETH-OLZOCXBDSA-N 1 0 325.384 2.231 10 5 EEBERO C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071805 1198041359 /nfs/dbraw/zinc/04/13/59/1198041359.db2.gz XWLJDSZMYISFDE-QWRGUYRKSA-N 1 0 330.381 2.209 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000865996170 1198448442 /nfs/dbraw/zinc/44/84/42/1198448442.db2.gz BZMCQQTVDZMBRO-ZDUSSCGKSA-N 1 0 334.420 2.126 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000865997221 1198449653 /nfs/dbraw/zinc/44/96/53/1198449653.db2.gz VJFQEOBXWFQLRX-ZDUSSCGKSA-N 1 0 330.388 2.400 10 5 EEBERO CC(C)[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000812290644 1200621955 /nfs/dbraw/zinc/62/19/55/1200621955.db2.gz FGIZHILKJLTRDZ-HNNXBMFYSA-N 1 0 331.376 2.310 10 5 EEBERO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000870996944 1200998788 /nfs/dbraw/zinc/99/87/88/1200998788.db2.gz NRFBRDCXKXUDOC-QGZVFWFLSA-N 1 0 335.404 2.197 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866205080 1201464032 /nfs/dbraw/zinc/46/40/32/1201464032.db2.gz JVENLLBLMJJTJD-MWLCHTKSSA-N 1 0 341.209 2.283 10 5 EEBERO C[C@@H]1CC[C@H](CO)N1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880438635 1201489351 /nfs/dbraw/zinc/48/93/51/1201489351.db2.gz PSGYRDMNMOJSKL-MWLCHTKSSA-N 1 0 327.768 2.032 10 5 EEBERO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCC[N@H+]3CCO)sc2c1 ZINC000828460990 1201971931 /nfs/dbraw/zinc/97/19/31/1201971931.db2.gz HFEGPBAQJBVYPV-LBPRGKRZSA-N 1 0 336.417 2.463 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000928434566 1206383133 /nfs/dbraw/zinc/38/31/33/1206383133.db2.gz JCHVBALVUYSMMQ-SWLSCSKDSA-N 1 0 340.383 2.479 10 5 EEBERO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](CCCCCO)CC1 ZINC000931498794 1207398139 /nfs/dbraw/zinc/39/81/39/1207398139.db2.gz QNUPQUOIVOGMNX-UHFFFAOYSA-N 1 0 325.384 2.014 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159081323 1208428746 /nfs/dbraw/zinc/42/87/46/1208428746.db2.gz SPSNSTQJQBSMHG-SECBINFHSA-N 1 0 342.193 2.181 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000827247325 1238682461 /nfs/dbraw/zinc/68/24/61/1238682461.db2.gz WCXOUAFRHYMMDL-XLNGHYISSA-N 1 0 329.400 2.251 10 5 EEBERO Cc1cncc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000850550696 1277265033 /nfs/dbraw/zinc/26/50/33/1277265033.db2.gz PJOLSQKKZCVUGW-UHFFFAOYSA-N 1 0 341.415 2.494 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc(C)oc1C ZINC001273673509 1282951801 /nfs/dbraw/zinc/95/18/01/1282951801.db2.gz CLBYQAAAGUXYCY-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO Nc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000852839585 1292212514 /nfs/dbraw/zinc/21/25/14/1292212514.db2.gz IUHSRCMAVSMDMD-AWEZNQCLSA-N 1 0 332.404 2.029 10 5 EEBERO CCO[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C[NH+](C)C ZINC000926959931 1296969614 /nfs/dbraw/zinc/96/96/14/1296969614.db2.gz LIECARWCUHWKBF-GXTWGEPZSA-N 1 0 325.409 2.221 10 5 EEBERO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001139345860 1314733835 /nfs/dbraw/zinc/73/38/35/1314733835.db2.gz FLKROXZJAINZQW-IAQYHMDHSA-N 1 0 343.387 2.104 10 5 EEBERO [NH3+]C1(CO)CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC001162701218 1320933784 /nfs/dbraw/zinc/93/37/84/1320933784.db2.gz STLZULGGFABIQE-UHFFFAOYSA-N 1 0 336.779 2.086 10 5 EEBERO C[C@H](CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC001163701716 1321196979 /nfs/dbraw/zinc/19/69/79/1321196979.db2.gz VGSOPWVOVMRLCZ-SNVBAGLBSA-N 1 0 333.348 2.225 10 5 EEBERO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCNc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001263701640 1322504725 /nfs/dbraw/zinc/50/47/25/1322504725.db2.gz MASXUBKHXMYZQF-QLFBSQMISA-N 1 0 346.431 2.243 10 5 EEBERO O=C(Cc1ccco1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001264406205 1322692566 /nfs/dbraw/zinc/69/25/66/1322692566.db2.gz USIAUQATGKIOCS-GASCZTMLSA-N 1 0 343.383 2.415 10 5 EEBERO CC[N@H+](CCCNC(=O)C1=CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001266035914 1323586994 /nfs/dbraw/zinc/58/69/94/1323586994.db2.gz XGRWBDHONQRMRD-UHFFFAOYSA-N 1 0 347.415 2.270 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c[nH]1 ZINC001322616173 1333294968 /nfs/dbraw/zinc/29/49/68/1333294968.db2.gz OPAAYVGNJSGUKT-UHFFFAOYSA-N 1 0 334.351 2.314 10 5 EEBERO CCn1cnc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001322793858 1333327700 /nfs/dbraw/zinc/32/77/00/1333327700.db2.gz XITDGGUQXBREOT-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC001625545019 1352451267 /nfs/dbraw/zinc/45/12/67/1352451267.db2.gz ORMWGPBHCPIEKM-UHFFFAOYSA-N 1 0 334.420 2.491 10 5 EEBERO CC(C)c1n[nH]c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC001630594765 1352571196 /nfs/dbraw/zinc/57/11/96/1352571196.db2.gz URQKIRPQLQKPBP-QWRGUYRKSA-N 1 0 335.408 2.044 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])c1 ZINC001648168697 1353419631 /nfs/dbraw/zinc/41/96/31/1353419631.db2.gz MASJEVGFIROEDD-GFCCVEGCSA-N 1 0 332.385 2.140 10 5 EEBERO CCOc1ccc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001648310081 1353423898 /nfs/dbraw/zinc/42/38/98/1353423898.db2.gz JAZSYCJFQHFDIS-AWEZNQCLSA-N 1 0 333.388 2.065 10 5 EEBERO COC(=O)c1ccnc(NCCCCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001652274821 1354084720 /nfs/dbraw/zinc/08/47/20/1354084720.db2.gz DAPOAQCMPIAFQD-UHFFFAOYSA-N 1 0 345.359 2.188 10 5 EEBERO O=c1[nH]ccc(N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001652342132 1354089000 /nfs/dbraw/zinc/08/90/00/1354089000.db2.gz IANGCSIVJPRBKA-GFCCVEGCSA-N 1 0 334.763 2.500 10 5 EEBERO CN(C)c1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC001658512493 1354361365 /nfs/dbraw/zinc/36/13/65/1354361365.db2.gz SCJCIIYNHUSPJC-UHFFFAOYSA-N 1 0 330.392 2.089 10 5 EEBERO CCOCCC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001660765453 1354534458 /nfs/dbraw/zinc/53/44/58/1354534458.db2.gz SFQOUVDDGLMIKY-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1nccs1 ZINC001673222186 1356655285 /nfs/dbraw/zinc/65/52/85/1356655285.db2.gz UHQKQPWFXZUVFR-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO O=C(NC1(C[NH2+]Cc2cccc(F)c2)CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001675178919 1356942627 /nfs/dbraw/zinc/94/26/27/1356942627.db2.gz BWRHZXQOTXWPPH-HZPDHXFCSA-N 1 0 349.406 2.400 10 5 EEBERO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1CO ZINC000708594106 786904134 /nfs/dbraw/zinc/90/41/34/786904134.db2.gz IDXOQWWQPWQNFW-KOLCDFICSA-N 1 0 329.194 2.418 10 5 EEBERO COc1cc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc([N+](=O)[O-])c1C ZINC000913281948 788758451 /nfs/dbraw/zinc/75/84/51/788758451.db2.gz VHAHNKVKXNHRFF-ROUUACIJSA-N 1 0 347.415 2.326 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442492 789126507 /nfs/dbraw/zinc/12/65/07/789126507.db2.gz YRVRKVDKKPIKCM-WFASDCNBSA-N 1 0 342.342 2.456 10 5 EEBERO O=C(NC12CC[NH+](CC1)C2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000913630907 794003350 /nfs/dbraw/zinc/00/33/50/794003350.db2.gz LZONXUUVTFIVIC-UHFFFAOYSA-N 1 0 329.278 2.192 10 5 EEBERO CCC(O)(CC)C(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001175569700 798164242 /nfs/dbraw/zinc/16/42/42/798164242.db2.gz RBJSQFUTOVEHHK-ZDUSSCGKSA-N 1 0 340.420 2.254 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ccncc1 ZINC001497345419 1102360784 /nfs/dbraw/zinc/36/07/84/1102360784.db2.gz PYYLIDHSTQWSOH-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO C[NH+](C)Cc1ccc(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC001468971948 1110483114 /nfs/dbraw/zinc/48/31/14/1110483114.db2.gz ODUOKCMLUBKOJC-MRXNPFEDSA-N 1 0 347.346 2.468 10 5 EEBERO CC[NH+]1CCN(c2cccc(Nc3nn(C)cc3[N+](=O)[O-])c2)CC1 ZINC001472764504 1110562903 /nfs/dbraw/zinc/56/29/03/1110562903.db2.gz ZZQHQYKMUZUALA-UHFFFAOYSA-N 1 0 330.392 2.214 10 5 EEBERO Cc1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC001473339159 1110574269 /nfs/dbraw/zinc/57/42/69/1110574269.db2.gz VAHRXOBFWJHAFH-GFCCVEGCSA-N 1 0 349.412 2.401 10 5 EEBERO CN(CC[N@H+](C)CC/C=C\c1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480751 1124538734 /nfs/dbraw/zinc/53/87/34/1124538734.db2.gz RSHKDEOOZSQBCL-HJMWAZGYSA-N 1 0 331.416 2.145 10 5 EEBERO COc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000191791713 239300234 /nfs/dbraw/zinc/30/02/34/239300234.db2.gz HMPWVHBBZQLXDV-FZMZJTMJSA-N 1 0 333.388 2.221 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000418994879 239394794 /nfs/dbraw/zinc/39/47/94/239394794.db2.gz CCLWBFSAFOMOIE-GHMZBOCLSA-N 1 0 345.346 2.088 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC000420355158 239771064 /nfs/dbraw/zinc/77/10/64/239771064.db2.gz CBMFVMUIOXBLBJ-QGZVFWFLSA-N 1 0 343.387 2.220 10 5 EEBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451258911 243053072 /nfs/dbraw/zinc/05/30/72/243053072.db2.gz XAWUCTIPOXGXGX-OCCSQVGLSA-N 1 0 332.360 2.238 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000247182850 243390226 /nfs/dbraw/zinc/39/02/26/243390226.db2.gz LBASZBSIVVCKTC-WFASDCNBSA-N 1 0 343.387 2.313 10 5 EEBERO C[NH+](C)CCNS(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000071709485 203103313 /nfs/dbraw/zinc/10/33/13/203103313.db2.gz UFUHYUIHIMSDPZ-UHFFFAOYSA-N 1 0 349.412 2.102 10 5 EEBERO CCCC(=O)N[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000101563240 204010247 /nfs/dbraw/zinc/01/02/47/204010247.db2.gz JRTANXVBVWLJFB-AWEZNQCLSA-N 1 0 335.404 2.354 10 5 EEBERO [NH3+]C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045623407 204329570 /nfs/dbraw/zinc/32/95/70/204329570.db2.gz RQYHLSMZQVJYHN-SNVBAGLBSA-N 1 0 342.193 2.311 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183226528 533223864 /nfs/dbraw/zinc/22/38/64/533223864.db2.gz UVHKBRZYQFBGJQ-FZMZJTMJSA-N 1 0 337.376 2.089 10 5 EEBERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000252663555 160393280 /nfs/dbraw/zinc/39/32/80/160393280.db2.gz RSPLKIGAJZJYTO-UONOGXRCSA-N 1 0 335.404 2.209 10 5 EEBERO C[NH+](C)CC1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000130253251 292370259 /nfs/dbraw/zinc/37/02/59/292370259.db2.gz WZMGDIJCPCNMDH-UHFFFAOYSA-N 1 0 335.404 2.210 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079561340 159134340 /nfs/dbraw/zinc/13/43/40/159134340.db2.gz OHRHXJBETYEJCS-AWEZNQCLSA-N 1 0 334.420 2.022 10 5 EEBERO COC(=O)c1cc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000352008852 162024790 /nfs/dbraw/zinc/02/47/90/162024790.db2.gz RQPVPWIYQDRGBB-UHFFFAOYSA-N 1 0 333.344 2.437 10 5 EEBERO COc1cc(CN2CCN(Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000352406063 162124548 /nfs/dbraw/zinc/12/45/48/162124548.db2.gz POMHKKDVWXXMJX-UHFFFAOYSA-N 1 0 348.428 2.378 10 5 EEBERO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000360654094 164358576 /nfs/dbraw/zinc/35/85/76/164358576.db2.gz SGLGKYQRQGBEQK-VIFPVBQESA-N 1 0 349.840 2.175 10 5 EEBERO C[NH+](C)CC(C)(C)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362388379 164661167 /nfs/dbraw/zinc/66/11/67/164661167.db2.gz GKOBACIOYCXIKA-UHFFFAOYSA-N 1 0 329.347 2.120 10 5 EEBERO O=C(CC[N@@H+]1CC[C@@]2(C1)CCCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000375291976 167105543 /nfs/dbraw/zinc/10/55/43/167105543.db2.gz JDQHOZKNFCSLRH-QGZVFWFLSA-N 1 0 333.388 2.426 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC000191771749 274052113 /nfs/dbraw/zinc/05/21/13/274052113.db2.gz ZIAZBROPTXCINV-ZDUSSCGKSA-N 1 0 337.424 2.052 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000274131994 274186917 /nfs/dbraw/zinc/18/69/17/274186917.db2.gz WKDKBRWOEWRKIQ-ZJUUUORDSA-N 1 0 333.348 2.004 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000343064991 278076702 /nfs/dbraw/zinc/07/67/02/278076702.db2.gz KJDPZLIEYDNVRS-UHFFFAOYSA-N 1 0 332.335 2.464 10 5 EEBERO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000415708087 313170012 /nfs/dbraw/zinc/17/00/12/313170012.db2.gz WUFMRUMIUMRWJM-SECBINFHSA-N 1 0 343.181 2.231 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000417859400 313621964 /nfs/dbraw/zinc/62/19/64/313621964.db2.gz WDONMNHSLPJODN-NWANDNLSSA-N 1 0 332.404 2.358 10 5 EEBERO CO[C@H]1C[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000510085707 316387570 /nfs/dbraw/zinc/38/75/70/316387570.db2.gz MQQDUTKZTMFBSC-BETUJISGSA-N 1 0 335.360 2.002 10 5 EEBERO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000532144629 317844743 /nfs/dbraw/zinc/84/47/43/317844743.db2.gz MYXIDRKAXPQWRA-MRXNPFEDSA-N 1 0 328.372 2.331 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000539418744 318055553 /nfs/dbraw/zinc/05/55/53/318055553.db2.gz LAALBYYWAQODKM-UHFFFAOYSA-N 1 0 343.811 2.427 10 5 EEBERO O=[N+]([O-])c1c(N[C@@H](CO)C[NH+]2CCCCC2)ccc2ncccc21 ZINC000570771710 319694868 /nfs/dbraw/zinc/69/48/68/319694868.db2.gz IDCSITLGYYJMQS-CYBMUJFWSA-N 1 0 330.388 2.402 10 5 EEBERO O=[N+]([O-])c1c(NC[C@H]2CCCC[N@H+]2CCO)ccc2ncccc21 ZINC000574759023 320054478 /nfs/dbraw/zinc/05/44/78/320054478.db2.gz MQNGNNMIEBZLLV-CYBMUJFWSA-N 1 0 330.388 2.402 10 5 EEBERO CNc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000579823128 323935756 /nfs/dbraw/zinc/93/57/56/323935756.db2.gz SQIUXYPHEHWGES-DZGCQCFKSA-N 1 0 332.404 2.241 10 5 EEBERO O=[N+]([O-])c1c(N[C@@H]2CCC[N@@H+](CCCO)C2)ccc2ncccc21 ZINC000582162738 324391325 /nfs/dbraw/zinc/39/13/25/324391325.db2.gz UAHUVMQBGICQKA-CYBMUJFWSA-N 1 0 330.388 2.402 10 5 EEBERO CC[NH+]1CCN(c2ccc(CNc3ccncc3[N+](=O)[O-])cn2)CC1 ZINC000066809203 462932745 /nfs/dbraw/zinc/93/27/45/462932745.db2.gz BIOUBQIEBUQXLL-UHFFFAOYSA-N 1 0 342.403 2.139 10 5 EEBERO Cc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000121557471 463156112 /nfs/dbraw/zinc/15/61/12/463156112.db2.gz AQOZNUKUWKCPJC-UHFFFAOYSA-N 1 0 343.431 2.345 10 5 EEBERO Cn1ccnc1CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121884572 463211222 /nfs/dbraw/zinc/21/12/22/463211222.db2.gz WMHOKORGOIFZMV-UHFFFAOYSA-N 1 0 342.399 2.352 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[N@@H+]1C ZINC000123362080 463335135 /nfs/dbraw/zinc/33/51/35/463335135.db2.gz BUCSMBBKBNYHIZ-OLZOCXBDSA-N 1 0 334.420 2.216 10 5 EEBERO CCN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000124450985 463424829 /nfs/dbraw/zinc/42/48/29/463424829.db2.gz WYNZUZRPTJISOY-UHFFFAOYSA-N 1 0 348.447 2.051 10 5 EEBERO CC(C)[NH2+]CCN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000072296165 463503309 /nfs/dbraw/zinc/50/33/09/463503309.db2.gz FBRCHNOVNVOIFB-UHFFFAOYSA-N 1 0 343.431 2.263 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272225715 464526267 /nfs/dbraw/zinc/52/62/67/464526267.db2.gz LGQMZNVQQWYVGV-SECBINFHSA-N 1 0 337.405 2.060 10 5 EEBERO C[C@H]1CC[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000599935873 468417154 /nfs/dbraw/zinc/41/71/54/468417154.db2.gz ZHMCPHOKMYAHGH-JSGCOSHPSA-N 1 0 332.404 2.409 10 5 EEBERO C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[NH2+]1 ZINC000599934630 468417255 /nfs/dbraw/zinc/41/72/55/468417255.db2.gz RVWPECOUOQMCPT-TZMCWYRMSA-N 1 0 332.404 2.409 10 5 EEBERO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295687070 464929515 /nfs/dbraw/zinc/92/95/15/464929515.db2.gz HVTWWOQCCTUJQT-GUBZILKMSA-N 1 0 329.784 2.182 10 5 EEBERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000268234775 464985347 /nfs/dbraw/zinc/98/53/47/464985347.db2.gz SXLIVRZKYZIJOL-HWPZZCPQSA-N 1 0 328.372 2.289 10 5 EEBERO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[N@@H+]1CCC[C@@H](C)C1 ZINC000301687770 466010738 /nfs/dbraw/zinc/01/07/38/466010738.db2.gz MIJGNBUWRKIWRW-NEPJUHHUSA-N 1 0 348.403 2.458 10 5 EEBERO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[N@@H+]1CCC[C@H](C)C1 ZINC000301687772 466011435 /nfs/dbraw/zinc/01/14/35/466011435.db2.gz MIJGNBUWRKIWRW-RYUDHWBXSA-N 1 0 348.403 2.458 10 5 EEBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCCC[NH+](C)C ZINC000353820134 466174209 /nfs/dbraw/zinc/17/42/09/466174209.db2.gz XSYYFLYKRJYFHD-NSHDSACASA-N 1 0 343.811 2.474 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597236499 468490504 /nfs/dbraw/zinc/49/05/04/468490504.db2.gz RAGASHOHKUHQEK-RCFWFJCLSA-N 1 0 331.416 2.139 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368037603 466571420 /nfs/dbraw/zinc/57/14/20/466571420.db2.gz ACOYEVLJXTUUAT-CQSZACIVSA-N 1 0 327.388 2.655 10 5 EEBERO COc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])cc1F ZINC000373675889 466885186 /nfs/dbraw/zinc/88/51/86/466885186.db2.gz UAWAKOWKTHVYPK-MNOVXSKESA-N 1 0 325.340 2.018 10 5 EEBERO CCOc1cc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)ccc1[N+](=O)[O-] ZINC000412074004 466996001 /nfs/dbraw/zinc/99/60/01/466996001.db2.gz JGVQZRFAXSFVES-AWEZNQCLSA-N 1 0 335.404 2.483 10 5 EEBERO CN1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000377675704 467113606 /nfs/dbraw/zinc/11/36/06/467113606.db2.gz UTGNYEBOMHCOAD-GOEBONIOSA-N 1 0 349.822 2.480 10 5 EEBERO CCN1C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000408042499 467499020 /nfs/dbraw/zinc/49/90/20/467499020.db2.gz RJBGCVBDAQGUGC-QWHCGFSZSA-N 1 0 341.433 2.006 10 5 EEBERO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449784300 467714145 /nfs/dbraw/zinc/71/41/45/467714145.db2.gz ABEQGXWVLYFVDV-AWEZNQCLSA-N 1 0 345.399 2.353 10 5 EEBERO CC[NH+](CC)CCOCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488121903 468072402 /nfs/dbraw/zinc/07/24/02/468072402.db2.gz GPSJKOCCKICHSD-UHFFFAOYSA-N 1 0 332.404 2.335 10 5 EEBERO Cc1cc(OCC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600468612 468565739 /nfs/dbraw/zinc/56/57/39/468565739.db2.gz FILINWYDTBQWCL-OAHLLOKOSA-N 1 0 347.415 2.415 10 5 EEBERO COc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600468716 468566245 /nfs/dbraw/zinc/56/62/45/468566245.db2.gz GYMUQOGUOXVSBJ-ZDUSSCGKSA-N 1 0 333.388 2.350 10 5 EEBERO CN1CCO[C@H](CSc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000591953136 468581614 /nfs/dbraw/zinc/58/16/14/468581614.db2.gz CLZMVUMYEJLGFH-QMMMGPOBSA-N 1 0 326.403 2.022 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1ccc3cc([N+](=O)[O-])ccc3n1)CCO2 ZINC000591992209 468592185 /nfs/dbraw/zinc/59/21/85/468592185.db2.gz DLXDFUOQNBEPEM-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1nccc3c1cccc3[N+](=O)[O-])CCO2 ZINC000591992664 468592442 /nfs/dbraw/zinc/59/24/42/468592442.db2.gz RHOBTCBSUSPUGF-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000592184767 468648627 /nfs/dbraw/zinc/64/86/27/468648627.db2.gz PRHJWQLQKZXMNN-CYBMUJFWSA-N 1 0 331.294 2.095 10 5 EEBERO Cc1c(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000592213521 468657118 /nfs/dbraw/zinc/65/71/18/468657118.db2.gz YRVLFIHVRARPIC-UHFFFAOYSA-N 1 0 348.403 2.232 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+]CCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000592393046 468688879 /nfs/dbraw/zinc/68/88/79/468688879.db2.gz CMAPMAIAIZVYIR-LBPRGKRZSA-N 1 0 333.392 2.405 10 5 EEBERO COc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000594968379 468733444 /nfs/dbraw/zinc/73/34/44/468733444.db2.gz WPWHTJVIISWPES-RBSFLKMASA-N 1 0 338.404 2.259 10 5 EEBERO Cn1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594988238 468739197 /nfs/dbraw/zinc/73/91/97/468739197.db2.gz ODLRTYIZJMNBND-HZPDHXFCSA-N 1 0 342.399 2.388 10 5 EEBERO C[C@@H](Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)C1=CC[N@H+](C)CC1 ZINC000601139638 468758533 /nfs/dbraw/zinc/75/85/33/468758533.db2.gz LCTIESDYMYIGQN-MRVPVSSYSA-N 1 0 333.314 2.409 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000571364322 468776430 /nfs/dbraw/zinc/77/64/30/468776430.db2.gz AYSZFPLLKMBLEG-HIFRSBDPSA-N 1 0 336.779 2.083 10 5 EEBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CN(c2ccncn2)C1 ZINC000601304198 468819628 /nfs/dbraw/zinc/81/96/28/468819628.db2.gz MUESNFHLDSKTFT-ZDUSSCGKSA-N 1 0 327.388 2.184 10 5 EEBERO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000571847498 468846942 /nfs/dbraw/zinc/84/69/42/468846942.db2.gz CHLQCXWACDBXFC-KRWDZBQOSA-N 1 0 342.399 2.362 10 5 EEBERO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595686434 468955394 /nfs/dbraw/zinc/95/53/94/468955394.db2.gz ZPMBRHNXKITCBD-XJKSGUPXSA-N 1 0 336.367 2.278 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000598716829 468972219 /nfs/dbraw/zinc/97/22/19/468972219.db2.gz SDNGARKCCBCVRX-UHFFFAOYSA-N 1 0 331.294 2.436 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000598717128 468972391 /nfs/dbraw/zinc/97/23/91/468972391.db2.gz XRWDQDPNEJYVOW-UHFFFAOYSA-N 1 0 331.294 2.436 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000598717002 468972453 /nfs/dbraw/zinc/97/24/53/468972453.db2.gz CCXSCFQMHSGCLV-UHFFFAOYSA-N 1 0 331.294 2.436 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755015 468990360 /nfs/dbraw/zinc/99/03/60/468990360.db2.gz DZEBXTIFKOVLCB-KBPBESRZSA-N 1 0 326.368 2.406 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000593467635 468993352 /nfs/dbraw/zinc/99/33/52/468993352.db2.gz MLZGHXGLNJRNOE-CQSZACIVSA-N 1 0 342.399 2.302 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595781517 469006754 /nfs/dbraw/zinc/00/67/54/469006754.db2.gz LMWWLJDLSUBDQC-HUUCEWRRSA-N 1 0 333.388 2.125 10 5 EEBERO C[C@@H]1CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000595781946 469007890 /nfs/dbraw/zinc/00/78/90/469007890.db2.gz WWVOTMXMYMZQRF-OLZOCXBDSA-N 1 0 349.387 2.392 10 5 EEBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000585814910 469045106 /nfs/dbraw/zinc/04/51/06/469045106.db2.gz QHOMQJDRGDUYEP-HOTGVXAUSA-N 1 0 347.415 2.487 10 5 EEBERO COc1cccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000595935431 469090592 /nfs/dbraw/zinc/09/05/92/469090592.db2.gz DCVSBTMRCFZQCY-CQSZACIVSA-N 1 0 347.415 2.455 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1CN1CCO[C@@H](C(F)F)CC1)OCCO2 ZINC000601974792 469121808 /nfs/dbraw/zinc/12/18/08/469121808.db2.gz VKHYBJWPBMMPMW-GFCCVEGCSA-N 1 0 344.314 2.222 10 5 EEBERO C[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000596068560 469138418 /nfs/dbraw/zinc/13/84/18/469138418.db2.gz YYSKEVNRORURJF-XCRHUMRWSA-N 1 0 346.383 2.046 10 5 EEBERO NC(=O)c1cc(N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000596080360 469144735 /nfs/dbraw/zinc/14/47/35/469144735.db2.gz IWQQIYHTKNGGBW-UHFFFAOYSA-N 1 0 332.404 2.006 10 5 EEBERO C[NH+]1CCC2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000596236661 469215907 /nfs/dbraw/zinc/21/59/07/469215907.db2.gz JVZKVGHTOUSHDS-UHFFFAOYSA-N 1 0 327.388 2.460 10 5 EEBERO COc1cc(N[C@@H](C)CN(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000596361963 469249843 /nfs/dbraw/zinc/24/98/43/469249843.db2.gz WHQRMVRPBQNUQU-LBPRGKRZSA-N 1 0 342.415 2.426 10 5 EEBERO O=[N+]([O-])c1ncccc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596425534 469262004 /nfs/dbraw/zinc/26/20/04/469262004.db2.gz ZWNSCJSVUXUZQM-HNNXBMFYSA-N 1 0 328.372 2.169 10 5 EEBERO CCC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000615761621 469310449 /nfs/dbraw/zinc/31/04/49/469310449.db2.gz WTLGORUGDBUZPT-HNNXBMFYSA-N 1 0 326.418 2.460 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599680337 469335390 /nfs/dbraw/zinc/33/53/90/469335390.db2.gz ADIUUUBKHXPCCI-XGWLTEMNSA-N 1 0 333.388 2.077 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC12CCOCC2 ZINC000618318275 469960546 /nfs/dbraw/zinc/96/05/46/469960546.db2.gz NIDOLPSCFRQHTB-UHFFFAOYSA-N 1 0 333.388 2.487 10 5 EEBERO COc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610178058 469985696 /nfs/dbraw/zinc/98/56/96/469985696.db2.gz MXVSVKNZCSINID-GXTWGEPZSA-N 1 0 335.404 2.087 10 5 EEBERO CCOCC[N@@H+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000173790268 528737679 /nfs/dbraw/zinc/73/76/79/528737679.db2.gz JRCSLWPYEMRNDI-MRXNPFEDSA-N 1 0 349.431 2.097 10 5 EEBERO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000451259997 535962694 /nfs/dbraw/zinc/96/26/94/535962694.db2.gz UBQBGOQPBYYQSU-XJKSGUPXSA-N 1 0 335.404 2.325 10 5 EEBERO C[NH+](C)C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000052554425 679238054 /nfs/dbraw/zinc/23/80/54/679238054.db2.gz VCNGSXHJSPVJDU-OAHLLOKOSA-N 1 0 328.372 2.210 10 5 EEBERO O=C1N(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H]2CCCCN12 ZINC000895341088 684516265 /nfs/dbraw/zinc/51/62/65/684516265.db2.gz FJEJERUQWZLPMF-CQSZACIVSA-N 1 0 336.367 2.114 10 5 EEBERO Cc1cc(C(=O)NC/C=C/CNCc2csc([N+](=O)[O-])c2)no1 ZINC001268513157 1183148172 /nfs/dbraw/zinc/14/81/72/1183148172.db2.gz RQZUHRQZNATFRC-NSCUHMNNSA-N 1 0 336.373 2.029 10 5 EEBERO COc1ccc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC001269508943 1184337683 /nfs/dbraw/zinc/33/76/83/1184337683.db2.gz RIIGYXQSCYCFMG-UHFFFAOYSA-N 1 0 345.355 2.249 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC001627894025 1193492678 /nfs/dbraw/zinc/49/26/78/1193492678.db2.gz MMPNKZJQTSQAQZ-UHFFFAOYSA-N 1 0 325.796 2.391 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccsn1 ZINC001483022228 1188011603 /nfs/dbraw/zinc/01/16/03/1188011603.db2.gz GNVOAFQDAGRTOI-OWOJBTEDSA-N 1 0 332.385 2.127 10 5 EEBERO CC(C)OCC(=O)N1CCC(C)([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001484912182 1191572040 /nfs/dbraw/zinc/57/20/40/1191572040.db2.gz HFNDFZSSTCAVNA-UHFFFAOYSA-N 1 0 349.431 2.491 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825708358 1198773542 /nfs/dbraw/zinc/77/35/42/1198773542.db2.gz GNLMYZLLDFFMPB-GFCCVEGCSA-N 1 0 341.795 2.089 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825760596 1199118720 /nfs/dbraw/zinc/11/87/20/1199118720.db2.gz KBSSVWPBMCGCCI-XJKCOSOUSA-N 1 0 335.404 2.007 10 5 EEBERO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866531868 1201542514 /nfs/dbraw/zinc/54/25/14/1201542514.db2.gz JEDLFXFQVJRSHQ-GXTWGEPZSA-N 1 0 335.404 2.413 10 5 EEBERO Cc1cnc(C(=O)N(C)CCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001275845469 1205562784 /nfs/dbraw/zinc/56/27/84/1205562784.db2.gz MCXRJWHUYUSFIL-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO Cc1[nH]ccc1C(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001275940182 1205596963 /nfs/dbraw/zinc/59/69/63/1205596963.db2.gz QAJQKGRCGMKGQH-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1=CCCCCC1 ZINC001275968015 1205607505 /nfs/dbraw/zinc/60/75/05/1205607505.db2.gz GSOBRFOCACEGMZ-UHFFFAOYSA-N 1 0 349.435 2.157 10 5 EEBERO O=[N+]([O-])c1cnc2c(c1)CN(Cc1cnn(-c3ccccc3)n1)CC2 ZINC000779202703 1209332310 /nfs/dbraw/zinc/33/23/10/1209332310.db2.gz NNIYDRIPGCGLIZ-UHFFFAOYSA-N 1 0 336.355 2.129 10 5 EEBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000779203424 1209335695 /nfs/dbraw/zinc/33/56/95/1209335695.db2.gz XCQQXJRLXDGTMT-UHFFFAOYSA-N 1 0 328.328 2.499 10 5 EEBERO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903272987 1240151978 /nfs/dbraw/zinc/15/19/78/1240151978.db2.gz SFPFCQHEJWCKMD-SGIREYDYSA-N 1 0 336.461 2.407 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000850593250 1277276272 /nfs/dbraw/zinc/27/62/72/1277276272.db2.gz YVSSEDVOJROJLL-SNVBAGLBSA-N 1 0 349.840 2.208 10 5 EEBERO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC(C)=C(C)C ZINC001273545570 1279617839 /nfs/dbraw/zinc/61/78/39/1279617839.db2.gz BNXRXCRCWKUNFW-UHFFFAOYSA-N 1 0 337.424 2.013 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCc2cc(O)ccc2C1 ZINC001198828575 1285360637 /nfs/dbraw/zinc/36/06/37/1285360637.db2.gz LPGHYGATDCJLHE-MRXNPFEDSA-N 1 0 344.367 2.098 10 5 EEBERO Cn1ncc2c1CC(C)(C)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000854058517 1292603520 /nfs/dbraw/zinc/60/35/20/1292603520.db2.gz OXZYGCGWCUMBLI-QGZVFWFLSA-N 1 0 344.415 2.446 10 5 EEBERO Cc1cc(-c2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000854159594 1292651819 /nfs/dbraw/zinc/65/18/19/1292651819.db2.gz HJODHZMMUIDITK-JTQLQIEISA-N 1 0 340.343 2.420 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855165648 1293095269 /nfs/dbraw/zinc/09/52/69/1293095269.db2.gz XRFANYAWXRKVIO-JTQLQIEISA-N 1 0 349.416 2.202 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000857635091 1293874058 /nfs/dbraw/zinc/87/40/58/1293874058.db2.gz RFNTZPAEQZGNPH-SECBINFHSA-N 1 0 327.331 2.476 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000926946510 1296965646 /nfs/dbraw/zinc/96/56/46/1296965646.db2.gz PGRNWJGSOBQNQX-CVYDXHPNSA-N 1 0 332.400 2.309 10 5 EEBERO O=C(CC(F)(F)F)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001277013906 1300865161 /nfs/dbraw/zinc/86/51/61/1300865161.db2.gz REVGJVDYYAIWTH-UHFFFAOYSA-N 1 0 331.294 2.286 10 5 EEBERO O=C(CCC(F)F)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001277114135 1301348909 /nfs/dbraw/zinc/34/89/09/1301348909.db2.gz NABDDVLZTLVYKB-UHFFFAOYSA-N 1 0 327.331 2.379 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)C1CC1 ZINC001141937476 1315392862 /nfs/dbraw/zinc/39/28/62/1315392862.db2.gz AUPHSFKJSACWGQ-SNVBAGLBSA-N 1 0 344.774 2.040 10 5 EEBERO O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843361946 1315900821 /nfs/dbraw/zinc/90/08/21/1315900821.db2.gz VPHNFQHICOLDKP-LBPRGKRZSA-N 1 0 338.795 2.013 10 5 EEBERO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCNc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001263701639 1322504913 /nfs/dbraw/zinc/50/49/13/1322504913.db2.gz MASXUBKHXMYZQF-KFWWJZLASA-N 1 0 346.431 2.243 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2cc[nH]c2c1 ZINC001316891158 1331957388 /nfs/dbraw/zinc/95/73/88/1331957388.db2.gz VRMCMTCSENJFAX-NVXWUHKLSA-N 1 0 344.415 2.161 10 5 EEBERO Cc1cccnc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001317580847 1332307327 /nfs/dbraw/zinc/30/73/27/1332307327.db2.gz XESDIAVRTMSSCZ-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CN(CC[NH2+]Cc1ccc(C2CCC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317585408 1332309506 /nfs/dbraw/zinc/30/95/06/1332309506.db2.gz QWNXQNXPFPUXML-IAGOWNOFSA-N 1 0 331.416 2.167 10 5 EEBERO COC(=O)N(C)CCN(C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001330664619 1334884447 /nfs/dbraw/zinc/88/44/47/1334884447.db2.gz HNJWNDPVGZEPQH-UHFFFAOYSA-N 1 0 347.375 2.046 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC001349693344 1337639530 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CPRLWQITLBBXQJ-UHFFFAOYSA-N 1 0 348.403 2.010 10 5 EEBERO O=[N+]([O-])c1cc(Cl)c(N2CC([NH2+][C@H]3CCOC3)C2)c(Cl)c1 ZINC001655895043 1354188848 /nfs/dbraw/zinc/18/88/48/1354188848.db2.gz SHBXQMPCAYYYGG-QMMMGPOBSA-N 1 0 332.187 2.469 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccco1 ZINC001663814173 1355037787 /nfs/dbraw/zinc/03/77/87/1355037787.db2.gz URRAOFXGDPSZSD-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO Cc1cncc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001668756812 1355998489 /nfs/dbraw/zinc/99/84/89/1355998489.db2.gz LTWWGAXGEJYBLE-SNAWJCMRSA-N 1 0 340.383 2.374 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC001668772523 1356001709 /nfs/dbraw/zinc/00/17/09/1356001709.db2.gz CYGRQQLJONPNEF-OWOJBTEDSA-N 1 0 344.346 2.205 10 5 EEBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCCC2=O)cc1 ZINC000181341605 776258800 /nfs/dbraw/zinc/25/88/00/776258800.db2.gz WQYMTGHAJZEUJA-CYBMUJFWSA-N 1 0 343.387 2.269 10 5 EEBERO C[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000818006518 785160852 /nfs/dbraw/zinc/16/08/52/785160852.db2.gz JUCOAQPSGUZBLT-RFAUZJTJSA-N 1 0 343.786 2.373 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818579625 785297651 /nfs/dbraw/zinc/29/76/51/785297651.db2.gz KTNCGJVBMWXWDU-PRHODGIISA-N 1 0 329.759 2.044 10 5 EEBERO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC001136578985 787167961 /nfs/dbraw/zinc/16/79/61/787167961.db2.gz FAPZMQKBYHAQHT-JTQLQIEISA-N 1 0 341.799 2.062 10 5 EEBERO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000912650821 788282015 /nfs/dbraw/zinc/28/20/15/788282015.db2.gz PSZGGJHYUKDSOW-WCQYABFASA-N 1 0 336.392 2.030 10 5 EEBERO Cn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(Br)n1 ZINC001118800938 797274844 /nfs/dbraw/zinc/27/48/44/797274844.db2.gz INAPPDRHNBAJCS-UHFFFAOYSA-N 1 0 339.193 2.423 10 5 EEBERO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788615070 807607460 /nfs/dbraw/zinc/60/74/60/807607460.db2.gz UVNVUXGHGQAZAX-OCCSQVGLSA-N 1 0 344.419 2.230 10 5 EEBERO Cc1ccn(C)c1C(=O)NCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001479766612 1098932863 /nfs/dbraw/zinc/93/28/63/1098932863.db2.gz BSRHCKXYAZNGEO-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO CN1CCC[C@H]1c1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001447187651 1102162088 /nfs/dbraw/zinc/16/20/88/1102162088.db2.gz STIUCEHHIPJNGE-INIZCTEOSA-N 1 0 343.387 2.057 10 5 EEBERO Cc1nc(C)c(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001497553288 1102657600 /nfs/dbraw/zinc/65/76/00/1102657600.db2.gz WGDNUCQPYNILKL-ONEGZZNKSA-N 1 0 344.371 2.275 10 5 EEBERO CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC001448024235 1103823660 /nfs/dbraw/zinc/82/36/60/1103823660.db2.gz SKKHNANUHSMJJD-UHFFFAOYSA-N 1 0 349.435 2.299 10 5 EEBERO Cc1c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001461479928 1110343341 /nfs/dbraw/zinc/34/33/41/1110343341.db2.gz ZXKFRQNUCZTPOW-INIZCTEOSA-N 1 0 348.359 2.026 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472029637 1110539120 /nfs/dbraw/zinc/53/91/20/1110539120.db2.gz SUNOOHRBJGRGIE-LBPRGKRZSA-N 1 0 343.330 2.266 10 5 EEBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1C ZINC001472782516 1110563079 /nfs/dbraw/zinc/56/30/79/1110563079.db2.gz YEQAYQGPBCJMEO-VIKVFOODSA-N 1 0 333.388 2.076 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001473641162 1110578449 /nfs/dbraw/zinc/57/84/49/1110578449.db2.gz NWIZWXQHYOKLRW-IJEWVQPXSA-N 1 0 347.415 2.325 10 5 EEBERO O=C(Cc1ccoc1)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001479363012 1110686795 /nfs/dbraw/zinc/68/67/95/1110686795.db2.gz YNLVOLODJARNLC-KOMQPUFPSA-N 1 0 343.383 2.415 10 5 EEBERO Nc1c(C(=O)NCC[NH+]2CCCCC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001540995228 1124098275 /nfs/dbraw/zinc/09/82/75/1124098275.db2.gz PWCJORWRZZFDSK-UHFFFAOYSA-N 1 0 344.774 2.185 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152049095 /nfs/dbraw/zinc/04/90/95/152049095.db2.gz MHYMCPIFCODIKO-LBPRGKRZSA-N 1 0 344.371 2.184 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000174126867 159796844 /nfs/dbraw/zinc/79/68/44/159796844.db2.gz UVEOSJIVVSHNBX-AWEZNQCLSA-N 1 0 327.812 2.137 10 5 EEBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184765471 160017282 /nfs/dbraw/zinc/01/72/82/160017282.db2.gz FNIRSCJSEWVHKC-DOTOQJQBSA-N 1 0 331.416 2.470 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436196 160234488 /nfs/dbraw/zinc/23/44/88/160234488.db2.gz QVSJBEFJNWYLJN-ZFWWWQNUSA-N 1 0 334.420 2.195 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CC[N@@H+]4CCCC[C@H]4C3)n2)cc1 ZINC000246152652 160264633 /nfs/dbraw/zinc/26/46/33/160264633.db2.gz GPTRAEYKZVUUID-HNNXBMFYSA-N 1 0 343.387 2.315 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248201700 160340580 /nfs/dbraw/zinc/34/05/80/160340580.db2.gz 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CN(c1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000271574183 274142562 /nfs/dbraw/zinc/14/25/62/274142562.db2.gz CGMQZTDBDPIQSG-UHFFFAOYSA-N 1 0 329.404 2.392 10 5 EEBERO COC(=O)c1cc(C)nc(NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000286067987 274833353 /nfs/dbraw/zinc/83/33/53/274833353.db2.gz AXHYWMXAFAMNRR-UHFFFAOYSA-N 1 0 336.392 2.229 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415648954 313160247 /nfs/dbraw/zinc/16/02/47/313160247.db2.gz CRIYWMLOROUOKB-AAEUAGOBSA-N 1 0 334.376 2.209 10 5 EEBERO C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444702398 315318698 /nfs/dbraw/zinc/31/86/98/315318698.db2.gz IKLZKVQYPGCFBV-CYBMUJFWSA-N 1 0 342.758 2.077 10 5 EEBERO Cc1cc(N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542120299 318121917 /nfs/dbraw/zinc/12/19/17/318121917.db2.gz RBBHURWIKFEAPE-GSDQYQHOSA-N 1 0 340.383 2.295 10 5 EEBERO CC[C@H](C)[NH+]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000590661404 468298233 /nfs/dbraw/zinc/29/82/33/468298233.db2.gz CJIHYKMCNGGAQS-ZDUSSCGKSA-N 1 0 335.404 2.298 10 5 EEBERO CN1CCC(CNc2ncccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000078457527 463117878 /nfs/dbraw/zinc/11/78/78/463117878.db2.gz ZHFVQFDJHJLRET-UHFFFAOYSA-N 1 0 333.436 2.352 10 5 EEBERO O=C(Nc1c[nH+]ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000096011815 463141724 /nfs/dbraw/zinc/14/17/24/463141724.db2.gz WAYOAZNOZSXRNM-UHFFFAOYSA-N 1 0 346.318 2.218 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000170864139 463726374 /nfs/dbraw/zinc/72/63/74/463726374.db2.gz OOORHWSWIMEHPI-ZDUSSCGKSA-N 1 0 346.412 2.494 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171448106 463865085 /nfs/dbraw/zinc/86/50/85/463865085.db2.gz PYMAMUVHQIJBKP-AWEZNQCLSA-N 1 0 333.388 2.304 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000194712223 463913967 /nfs/dbraw/zinc/91/39/67/463913967.db2.gz LUOVEDIESLFANB-HNNXBMFYSA-N 1 0 349.434 2.365 10 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NFEJREREMOWTCY-CZUORRHYSA-N 1 0 340.383 2.383 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000366632937 465844180 /nfs/dbraw/zinc/84/41/80/465844180.db2.gz ROJKSZGXFFGTBT-IUODEOHRSA-N 1 0 333.388 2.208 10 5 EEBERO Cn1c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000340375529 466039941 /nfs/dbraw/zinc/03/99/41/466039941.db2.gz RNHRRXCATXPRNY-BBRMVZONSA-N 1 0 328.372 2.109 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nn21 ZINC000301947214 466065794 /nfs/dbraw/zinc/06/57/94/466065794.db2.gz HOARCSRNTKKOQW-GXTWGEPZSA-N 1 0 342.403 2.091 10 5 EEBERO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c2c(c1)COCO2 ZINC000367065779 466105537 /nfs/dbraw/zinc/10/55/37/466105537.db2.gz GXRNMQOEPIMIHG-KRWDZBQOSA-N 1 0 334.372 2.464 10 5 EEBERO CO[C@H](C)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000354369976 466514788 /nfs/dbraw/zinc/51/47/88/466514788.db2.gz XSSXWTUGVJJGDS-CYBMUJFWSA-N 1 0 335.404 2.229 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@H](C)O)C(C)C ZINC000411281608 466799515 /nfs/dbraw/zinc/79/95/15/466799515.db2.gz UGRFPOPBSLMACG-LBPRGKRZSA-N 1 0 339.392 2.023 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411314301 466804344 /nfs/dbraw/zinc/80/43/44/466804344.db2.gz DQDZBEOVWSHLLP-CJNGLKHVSA-N 1 0 333.388 2.424 10 5 EEBERO Cc1ccc(NCCCNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000417713514 466915716 /nfs/dbraw/zinc/91/57/16/466915716.db2.gz HGXLKFXRUNUMIR-KGLIPLIRSA-N 1 0 349.435 2.002 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424004572 466947503 /nfs/dbraw/zinc/94/75/03/466947503.db2.gz BMKCBLFGNPCTGJ-JKSUJKDBSA-N 1 0 344.346 2.004 10 5 EEBERO C[C@](CO)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000451028114 467230258 /nfs/dbraw/zinc/23/02/58/467230258.db2.gz CHTSFMDTUHLYGJ-QGZVFWFLSA-N 1 0 332.356 2.177 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378218493 467232416 /nfs/dbraw/zinc/23/24/16/467232416.db2.gz BKURCRYIYPLFSO-LSDHHAIUSA-N 1 0 347.415 2.354 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378237359 467238134 /nfs/dbraw/zinc/23/81/34/467238134.db2.gz YTEXRNCWQWGAME-CZUORRHYSA-N 1 0 346.431 2.265 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000408036888 467498173 /nfs/dbraw/zinc/49/81/73/467498173.db2.gz XXVJQFFBYBSKGL-UHFFFAOYSA-N 1 0 332.404 2.389 10 5 EEBERO CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448961048 467608153 /nfs/dbraw/zinc/60/81/53/467608153.db2.gz LTRYSNJQJPGXLZ-MRXNPFEDSA-N 1 0 345.399 2.253 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000488907075 468111131 /nfs/dbraw/zinc/11/11/31/468111131.db2.gz ILFBOTCEPNOJIR-MRXNPFEDSA-N 1 0 346.362 2.470 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000589503235 468158316 /nfs/dbraw/zinc/15/83/16/468158316.db2.gz LDARWBYHDIAMNB-KBPBESRZSA-N 1 0 334.372 2.240 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000567708006 468191003 /nfs/dbraw/zinc/19/10/03/468191003.db2.gz HHGOVMAWQWHJAZ-LLVKDONJSA-N 1 0 334.294 2.267 10 5 EEBERO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590445650 468259149 /nfs/dbraw/zinc/25/91/49/468259149.db2.gz RIVIKFFHZRGSIR-HUBLWGQQSA-N 1 0 335.429 2.238 10 5 EEBERO COc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591891593 468551469 /nfs/dbraw/zinc/55/14/69/468551469.db2.gz AAUODHBGWOTQCF-OCCSQVGLSA-N 1 0 333.388 2.208 10 5 EEBERO [NH3+]C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000600678860 468618853 /nfs/dbraw/zinc/61/88/53/468618853.db2.gz WCBCXMKHRHDODA-UHFFFAOYSA-N 1 0 331.372 2.452 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc([C@@H]3C[NH2+]CCO3)c2)c1 ZINC000600792656 468659237 /nfs/dbraw/zinc/65/92/37/468659237.db2.gz KYCCCGBOJUWUCW-SFHVURJKSA-N 1 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O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595224809 468788714 /nfs/dbraw/zinc/78/87/14/468788714.db2.gz HINHEHFQCIWMFQ-LSDHHAIUSA-N 1 0 347.415 2.354 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000593022168 468843744 /nfs/dbraw/zinc/84/37/44/468843744.db2.gz CLWDKBKQDBHLAX-WBVHZDCISA-N 1 0 334.372 2.429 10 5 EEBERO Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000572329728 468916123 /nfs/dbraw/zinc/91/61/23/468916123.db2.gz KKGWMQMZWKGGDZ-RHSMWYFYSA-N 1 0 332.404 2.024 10 5 EEBERO O=C(N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601555504 468916662 /nfs/dbraw/zinc/91/66/62/468916662.db2.gz MZUFKEIXJLCYEI-ZIAGYGMSSA-N 1 0 329.400 2.084 10 5 EEBERO Cc1c(NC(=O)CC[NH2+][C@@H]2C[C@@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595779239 469004285 /nfs/dbraw/zinc/00/42/85/469004285.db2.gz BARIIJPUISOAIZ-HUUCEWRRSA-N 1 0 333.388 2.125 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000601779875 469021122 /nfs/dbraw/zinc/02/11/22/469021122.db2.gz YWAUISSVJDCWKC-UHFFFAOYSA-N 1 0 329.360 2.310 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C[C@@H]21 ZINC000562782127 469068958 /nfs/dbraw/zinc/06/89/58/469068958.db2.gz HAVWFVJGVRQXSB-ACJLOTCBSA-N 1 0 347.418 2.457 10 5 EEBERO Nc1ccc(N2CCC[C@H](c3ncc4n3CCCC4)C2)nc1[N+](=O)[O-] ZINC000596228030 469213724 /nfs/dbraw/zinc/21/37/24/469213724.db2.gz VTNZDRILFFBLPK-LBPRGKRZSA-N 1 0 342.403 2.489 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268577 469227253 /nfs/dbraw/zinc/22/72/53/469227253.db2.gz MICNJTBELLBYKH-UHFFFAOYSA-N 1 0 335.404 2.295 10 5 EEBERO COC(=O)C(C)(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000611404623 469241810 /nfs/dbraw/zinc/24/18/10/469241810.db2.gz INIQSXFNYIKJRM-HNNXBMFYSA-N 1 0 346.387 2.321 10 5 EEBERO COc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000603140858 469279120 /nfs/dbraw/zinc/27/91/20/469279120.db2.gz BDTSUCXTLJYYFR-HNNXBMFYSA-N 1 0 335.404 2.406 10 5 EEBERO COc1ccc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1F ZINC000599680562 469336317 /nfs/dbraw/zinc/33/63/17/469336317.db2.gz SANAITRAUHGHQU-CYBMUJFWSA-N 1 0 334.351 2.429 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000602543397 469355774 /nfs/dbraw/zinc/35/57/74/469355774.db2.gz HSFIAZZWJOPJGE-NWDGAFQWSA-N 1 0 342.193 2.228 10 5 EEBERO C[C@@H]1CCOCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000775567409 577439667 /nfs/dbraw/zinc/43/96/67/577439667.db2.gz XSCDELLJEUQCOP-GFCCVEGCSA-N 1 0 335.360 2.004 10 5 EEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899149412 693633002 /nfs/dbraw/zinc/63/30/02/693633002.db2.gz UQVXJKWWWSZCOT-QGZVFWFLSA-N 1 0 347.415 2.053 10 5 EEBERO CCC[N@H+](CCNC(=O)c1ccon1)Cc1cccc([N+](=O)[O-])c1 ZINC001266556626 1176837262 /nfs/dbraw/zinc/83/72/62/1176837262.db2.gz SPKVFEKAXQXHEW-UHFFFAOYSA-N 1 0 332.360 2.225 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1ccc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001481017922 1179504612 /nfs/dbraw/zinc/50/46/12/1179504612.db2.gz BOLMKNFQVWAJQR-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CCc1ocnc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001268232182 1182047515 /nfs/dbraw/zinc/04/75/15/1182047515.db2.gz GWYJNDFVULGBEK-UHFFFAOYSA-N 1 0 346.387 2.349 10 5 EEBERO Cc1cccnc1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001482995499 1187975572 /nfs/dbraw/zinc/97/55/72/1187975572.db2.gz SBSLNGYKANPRPB-PLNGDYQASA-N 1 0 340.383 2.374 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc(C2CCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483007672 1187989921 /nfs/dbraw/zinc/98/99/21/1187989921.db2.gz NPWGFTPVTCAOKY-ZHEVZCJESA-N 1 0 343.427 2.381 10 5 EEBERO CC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCOCC2)CC1 ZINC001484181526 1191259006 /nfs/dbraw/zinc/25/90/06/1191259006.db2.gz DQQACUJXUBMZCS-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO C[NH+](C)C1(C)CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000871357276 1197698398 /nfs/dbraw/zinc/69/83/98/1197698398.db2.gz CTTXYJAHEZDTGH-UHFFFAOYSA-N 1 0 334.420 2.386 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCOC(F)(F)C(F)(F)F)cc1 ZINC000872244664 1198108432 /nfs/dbraw/zinc/10/84/32/1198108432.db2.gz OUGWJIRIHBXWLZ-JTQLQIEISA-N 1 0 344.236 2.390 10 5 EEBERO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000867743348 1201671315 /nfs/dbraw/zinc/67/13/15/1201671315.db2.gz AOKFBPUTJDNQDC-UHFFFAOYSA-N 1 0 347.462 2.198 10 5 EEBERO C[C@H]1[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000928453414 1206387136 /nfs/dbraw/zinc/38/71/36/1206387136.db2.gz KLDMIHINCXLTCS-ZFWWWQNUSA-N 1 0 346.431 2.020 10 5 EEBERO COc1ccc(OCCN2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000931351644 1206625761 /nfs/dbraw/zinc/62/57/61/1206625761.db2.gz QOIYSIWAXJKUFN-UHFFFAOYSA-N 1 0 337.420 2.398 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000902903702 1239000564 /nfs/dbraw/zinc/00/05/64/1239000564.db2.gz CGDQRCSAEQDMLR-UONOGXRCSA-N 1 0 336.417 2.296 10 5 EEBERO [NH3+][C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000903534273 1240830541 /nfs/dbraw/zinc/83/05/41/1240830541.db2.gz DOHOGMFZVCNQKE-MNOVXSKESA-N 1 0 333.310 2.185 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001187654067 1279620052 /nfs/dbraw/zinc/62/00/52/1279620052.db2.gz CADPSSOVYMXAEN-CVEARBPZSA-N 1 0 341.415 2.287 10 5 EEBERO O=C(CCNC1(c2ncccn2)CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001197324727 1284566615 /nfs/dbraw/zinc/56/66/15/1284566615.db2.gz DKMIESGOHYYANB-UHFFFAOYSA-N 1 0 341.371 2.382 10 5 EEBERO CC[N@H+](CCCNC(=O)c1ccnnc1)Cc1ccccc1[N+](=O)[O-] ZINC001490350919 1291175402 /nfs/dbraw/zinc/17/54/02/1291175402.db2.gz YFVIUTGAEIWNGP-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO Cc1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000852839910 1292212506 /nfs/dbraw/zinc/21/25/06/1292212506.db2.gz NGAOMRYGULSZDS-AWEZNQCLSA-N 1 0 346.431 2.337 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000856283015 1293472277 /nfs/dbraw/zinc/47/22/77/1293472277.db2.gz KWAISIXQZXAFRX-UHFFFAOYSA-N 1 0 347.419 2.181 10 5 EEBERO CC(C)[NH2+]CCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764335 1293910568 /nfs/dbraw/zinc/91/05/68/1293910568.db2.gz PEXQBPOLKJNLNZ-UHFFFAOYSA-N 1 0 331.319 2.071 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000859955511 1294724557 /nfs/dbraw/zinc/72/45/57/1294724557.db2.gz VAJLYLABEYUNRR-HZMVEIRTSA-N 1 0 348.399 2.292 10 5 EEBERO C[C@@]1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000863563493 1296337464 /nfs/dbraw/zinc/33/74/64/1296337464.db2.gz OQEFAYUQNXROHS-MAUKXSAKSA-N 1 0 344.367 2.448 10 5 EEBERO Cc1cc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1C ZINC000926915986 1296960097 /nfs/dbraw/zinc/96/00/97/1296960097.db2.gz TVZUIYAJOUPZDS-UHFFFAOYSA-N 1 0 343.431 2.438 10 5 EEBERO Cn1nccc1[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000927126067 1297027723 /nfs/dbraw/zinc/02/77/23/1297027723.db2.gz DBWMRUCJWWEDIE-HOCLYGCPSA-N 1 0 330.388 2.374 10 5 EEBERO C[C@@]12COC[C@H]1C[N@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C2 ZINC001118594294 1308894816 /nfs/dbraw/zinc/89/48/16/1308894816.db2.gz YAUFTVFSDFXCHX-NVXWUHKLSA-N 1 0 328.372 2.384 10 5 EEBERO CN(CC(=O)NCC12CCC[NH+](CCC1)C2)c1ccccc1[N+](=O)[O-] ZINC001123841264 1310727450 /nfs/dbraw/zinc/72/74/50/1310727450.db2.gz WGPLCJUNVJGIOS-UHFFFAOYSA-N 1 0 346.431 2.023 10 5 EEBERO C[NH2+]C1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000843351259 1315896994 /nfs/dbraw/zinc/89/69/94/1315896994.db2.gz HZZNIAVYIKZFSZ-JTQLQIEISA-N 1 0 340.811 2.259 10 5 EEBERO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001302479914 1331327911 /nfs/dbraw/zinc/32/79/11/1331327911.db2.gz YXMMJPQGCUGCKL-AWEZNQCLSA-N 1 0 349.435 2.055 10 5 EEBERO C[N@@H+]1CCCC[C@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001303529629 1331357811 /nfs/dbraw/zinc/35/78/11/1331357811.db2.gz WOOKBFWZFHPFOS-HNNXBMFYSA-N 1 0 345.403 2.004 10 5 EEBERO C[N@H+](CCCNC(=O)COC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC001316817895 1331849535 /nfs/dbraw/zinc/84/95/35/1331849535.db2.gz RPHXPKCFYLYBCS-UHFFFAOYSA-N 1 0 337.420 2.348 10 5 EEBERO CCn1cnc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001322792221 1333327043 /nfs/dbraw/zinc/32/70/43/1333327043.db2.gz IKEHGZGSQBANFY-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001611306875 1352298488 /nfs/dbraw/zinc/29/84/88/1352298488.db2.gz OFXXRYRXKVDLRZ-BJHJDKERSA-N 1 0 342.399 2.400 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3ccncc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001559306285 1342501031 /nfs/dbraw/zinc/50/10/31/1342501031.db2.gz NYUBZCYSBXZTJQ-CQSZACIVSA-N 1 0 328.372 2.019 10 5 EEBERO CNc1nccc(C(=O)Nc2ccccc2-n2ccnc2)c1[N+](=O)[O-] ZINC001595395720 1349885417 /nfs/dbraw/zinc/88/54/17/1349885417.db2.gz NVXLAKZDEAXXFC-UHFFFAOYSA-N 1 0 338.327 2.470 10 5 EEBERO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001626583374 1352467467 /nfs/dbraw/zinc/46/74/67/1352467467.db2.gz WQBCYYSTLGPLCP-XQQFMLRXSA-N 1 0 334.420 2.273 10 5 EEBERO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001630229234 1352566025 /nfs/dbraw/zinc/56/60/25/1352566025.db2.gz XLOKGGMWOMXSAW-CYBMUJFWSA-N 1 0 334.420 2.419 10 5 EEBERO CN(c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001639590573 1352699818 /nfs/dbraw/zinc/69/98/18/1352699818.db2.gz RMOBPFOHNKBPDQ-OAHLLOKOSA-N 1 0 329.404 2.429 10 5 EEBERO Cc1nn(C)c(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC001640057255 1352705356 /nfs/dbraw/zinc/70/53/56/1352705356.db2.gz INRPLGIPFITCAT-CVEARBPZSA-N 1 0 341.415 2.347 10 5 EEBERO C[C@@H]([NH2+]C[C@@H](O)CN(C)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC001648228912 1353421538 /nfs/dbraw/zinc/42/15/38/1353421538.db2.gz KBWBENNLDKJEKS-GHMZBOCLSA-N 1 0 335.326 2.100 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001651081760 1354039302 /nfs/dbraw/zinc/03/93/02/1354039302.db2.gz KADPXWMTHDQISF-RNCFNFMXSA-N 1 0 339.779 2.175 10 5 EEBERO C[C@@H]([NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(C)CC1 ZINC001655794114 1354184791 /nfs/dbraw/zinc/18/47/91/1354184791.db2.gz IBLXCNRDMDABFM-CQSZACIVSA-N 1 0 346.431 2.022 10 5 EEBERO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001655965182 1354192325 /nfs/dbraw/zinc/19/23/25/1354192325.db2.gz JOKBZQKLKJCCOM-HNNXBMFYSA-N 1 0 347.394 2.280 10 5 EEBERO Cc1nc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)o1 ZINC001664263946 1355125249 /nfs/dbraw/zinc/12/52/49/1355125249.db2.gz BQJIRQUIHPDMDY-UHFFFAOYSA-N 1 0 338.389 2.123 10 5 EEBERO O=C(CC(F)(F)F)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001668730656 1355994318 /nfs/dbraw/zinc/99/43/18/1355994318.db2.gz CBIPMFGZLSPZSS-ONEGZZNKSA-N 1 0 331.294 2.309 10 5 EEBERO O=C(NCCC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001698721854 1405026682 /nfs/dbraw/zinc/02/66/82/1405026682.db2.gz SXUIQLGWXTXXQJ-NVXWUHKLSA-N 1 0 349.406 2.209 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001135672581 784225131 /nfs/dbraw/zinc/22/51/31/784225131.db2.gz BRNDXOPBSKPYCX-MRXNPFEDSA-N 1 0 334.420 2.243 10 5 EEBERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819207057 785436737 /nfs/dbraw/zinc/43/67/37/785436737.db2.gz DBLVNTNUBQNCJB-QGZVFWFLSA-N 1 0 332.404 2.201 10 5 EEBERO C[NH2+]CCOCCN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000706611255 785501891 /nfs/dbraw/zinc/50/18/91/785501891.db2.gz KUJSLTOKLNGSII-UHFFFAOYSA-N 1 0 332.198 2.030 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCn2ccnc21 ZINC000824525819 788201784 /nfs/dbraw/zinc/20/17/84/788201784.db2.gz DRJOXSLQEAUUBM-FZMZJTMJSA-N 1 0 329.360 2.243 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912924076 788499137 /nfs/dbraw/zinc/49/91/37/788499137.db2.gz QCXGGDVPIVHCRT-MRXNPFEDSA-N 1 0 332.404 2.094 10 5 EEBERO O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@]4(C3)CCCC[NH2+]4)n2)c1 ZINC000923533532 789735866 /nfs/dbraw/zinc/73/58/66/789735866.db2.gz GGSMNJLOXCGDBX-KRWDZBQOSA-N 1 0 343.387 2.363 10 5 EEBERO Cc1ccc(C[NH+]2CCC(O)(c3nccn3C)CC2)cc1[N+](=O)[O-] ZINC001175845630 798246281 /nfs/dbraw/zinc/24/62/81/798246281.db2.gz OWPVHVKDELQCRZ-UHFFFAOYSA-N 1 0 330.388 2.120 10 5 EEBERO CS(=O)(=O)C[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000922828795 801981111 /nfs/dbraw/zinc/98/11/11/801981111.db2.gz ZXXAXMREFLFJGN-MRXNPFEDSA-N 1 0 343.448 2.488 10 5 EEBERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000712334255 803200247 /nfs/dbraw/zinc/20/02/47/803200247.db2.gz HZECBKWFMZTZJH-SNVBAGLBSA-N 1 0 342.193 2.181 10 5 EEBERO C[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C[NH+](C)C ZINC001450359100 1094604194 /nfs/dbraw/zinc/60/41/94/1094604194.db2.gz OTLUKTPYWMKTQT-NSHDSACASA-N 1 0 330.388 2.258 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cocn1)Cc1ccccc1[N+](=O)[O-] ZINC001479838817 1099126381 /nfs/dbraw/zinc/12/63/81/1099126381.db2.gz HVLBBCKSIUXEIV-UHFFFAOYSA-N 1 0 332.360 2.225 10 5 EEBERO CCc1nc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001493727260 1108576952 /nfs/dbraw/zinc/57/69/52/1108576952.db2.gz HPKVJGXNDDSMFT-UHFFFAOYSA-N 1 0 346.387 2.315 10 5 EEBERO COC(=O)Cc1ccc(NCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001458691484 1109935999 /nfs/dbraw/zinc/93/59/99/1109935999.db2.gz CZHNBJHPMDSMQU-UHFFFAOYSA-N 1 0 335.404 2.454 10 5 EEBERO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCOC1 ZINC001460791034 1110324144 /nfs/dbraw/zinc/32/41/44/1110324144.db2.gz SAWHRFJMLYNKDB-XHDPSFHLSA-N 1 0 334.376 2.002 10 5 EEBERO C[C@H]1CC[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc21 ZINC001460952878 1110329746 /nfs/dbraw/zinc/32/97/46/1110329746.db2.gz WTYJSUFRVGHBIG-GUYCJALGSA-N 1 0 330.388 2.166 10 5 EEBERO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001466488408 1110436662 /nfs/dbraw/zinc/43/66/62/1110436662.db2.gz GUEMCDHZOSIKRV-WDEREUQCSA-N 1 0 325.796 2.342 10 5 EEBERO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001466636329 1110440170 /nfs/dbraw/zinc/44/01/70/1110440170.db2.gz RDEZHPCNGIJKOU-QMTHXVAHSA-N 1 0 329.360 2.427 10 5 EEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001526288313 1120489444 /nfs/dbraw/zinc/48/94/44/1120489444.db2.gz YNYZELCCDZYEKK-RISCZKNCSA-N 1 0 335.429 2.483 10 5 EEBERO CC[C@H]([NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181561445 529663961 /nfs/dbraw/zinc/66/39/61/529663961.db2.gz DVRVBNHHBGFJLH-KCXAZCMYSA-N 1 0 335.404 2.319 10 5 EEBERO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC([NH+](C)C)CC1 ZINC000069951759 203065364 /nfs/dbraw/zinc/06/53/64/203065364.db2.gz LECODOSMMRVDBX-UHFFFAOYSA-N 1 0 339.367 2.441 10 5 EEBERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000456381186 244238682 /nfs/dbraw/zinc/23/86/82/244238682.db2.gz NTAFZYLHMNJWNC-LLVKDONJSA-N 1 0 341.358 2.358 10 5 EEBERO CC[C@H](C)[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000456525051 244280351 /nfs/dbraw/zinc/28/03/51/244280351.db2.gz PZMKXDWOAJGWKB-NSHDSACASA-N 1 0 341.358 2.358 10 5 EEBERO Cn1cc(CN2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000105869848 204172761 /nfs/dbraw/zinc/17/27/61/204172761.db2.gz UOWLDDQXAYOPPE-UHFFFAOYSA-N 1 0 343.431 2.079 10 5 EEBERO Cc1sc(C(=O)N[C@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000161384328 206344563 /nfs/dbraw/zinc/34/45/63/206344563.db2.gz IZHLEELMOWXWHQ-NSHDSACASA-N 1 0 332.385 2.368 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177712844 207382272 /nfs/dbraw/zinc/38/22/72/207382272.db2.gz HKNPXQUOAJFIBF-AWEZNQCLSA-N 1 0 334.420 2.340 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188822092 160129843 /nfs/dbraw/zinc/12/98/43/160129843.db2.gz ADIIRLDBZQYOFU-UHFFFAOYSA-N 1 0 330.388 2.089 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCNc1cc[nH+]cc1 ZINC000342452957 161066696 /nfs/dbraw/zinc/06/66/96/161066696.db2.gz XQGHXBBDEIVDNC-UHFFFAOYSA-N 1 0 329.360 2.262 10 5 EEBERO CNC(=O)CCOC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000355104376 163082272 /nfs/dbraw/zinc/08/22/72/163082272.db2.gz FWXMQNAOZSLGKP-UHFFFAOYSA-N 1 0 335.404 2.020 10 5 EEBERO Cc1c(CC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000368019832 166036646 /nfs/dbraw/zinc/03/66/46/166036646.db2.gz KRRBWKQFWDCEQU-HZPDHXFCSA-N 1 0 331.416 2.436 10 5 EEBERO CCN1CC[NH+](C[C@@H](C)CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278422212 274353864 /nfs/dbraw/zinc/35/38/64/274353864.db2.gz IPXDFRBISQAQSU-ZDUSSCGKSA-N 1 0 346.435 2.157 10 5 EEBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195314054 275012494 /nfs/dbraw/zinc/01/24/94/275012494.db2.gz QJVQGMJULGWPIX-HNNXBMFYSA-N 1 0 344.415 2.115 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000342482193 276250881 /nfs/dbraw/zinc/25/08/81/276250881.db2.gz XZOQOEBVHCHLIP-NEPJUHHUSA-N 1 0 336.392 2.004 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000069561859 277046924 /nfs/dbraw/zinc/04/69/24/277046924.db2.gz XVCCVBXBHBOADG-AWEZNQCLSA-N 1 0 336.411 2.340 10 5 EEBERO CC[C@H](C)[NH+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000296116101 293896603 /nfs/dbraw/zinc/89/66/03/293896603.db2.gz VPFQEDRECVAWED-LBPRGKRZSA-N 1 0 336.392 2.005 10 5 EEBERO Cc1sc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000104531889 294069639 /nfs/dbraw/zinc/06/96/39/294069639.db2.gz MAKBYXPNNBWXHS-GFCCVEGCSA-N 1 0 341.433 2.148 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296915914 294101051 /nfs/dbraw/zinc/10/10/51/294101051.db2.gz ALDYHHHQZDBJHR-CQSZACIVSA-N 1 0 330.388 2.036 10 5 EEBERO C[C@H](O)[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000414593729 313045105 /nfs/dbraw/zinc/04/51/05/313045105.db2.gz RGAUOJZLXXLYRK-SJCJKPOMSA-N 1 0 332.356 2.436 10 5 EEBERO C[C@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128531 313431224 /nfs/dbraw/zinc/43/12/24/313431224.db2.gz ILBGVCUVBQBPDI-GUYCJALGSA-N 1 0 332.404 2.441 10 5 EEBERO CC[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000493134405 315888968 /nfs/dbraw/zinc/88/89/68/315888968.db2.gz SQPVWKJBKIZOFX-INIZCTEOSA-N 1 0 343.387 2.274 10 5 EEBERO CC(C)C[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cc3c2OCCO3)n1 ZINC000572841426 319882462 /nfs/dbraw/zinc/88/24/62/319882462.db2.gz VCSDJEOZNDKNTA-NSHDSACASA-N 1 0 334.332 2.462 10 5 EEBERO C[C@@H]1COCC[N@@H+]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000575327563 320101351 /nfs/dbraw/zinc/10/13/51/320101351.db2.gz YSKSBUAKIGLPPK-GFCCVEGCSA-N 1 0 325.434 2.341 10 5 EEBERO Cc1csc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000184282880 323421660 /nfs/dbraw/zinc/42/16/60/323421660.db2.gz XTZGVJQWBAHWAS-NEPJUHHUSA-N 1 0 337.401 2.450 10 5 EEBERO O=[N+]([O-])c1ccc([O-])cc1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000339093049 465077538 /nfs/dbraw/zinc/07/75/38/465077538.db2.gz GPRSTYAFHIOPMM-UHFFFAOYSA-N 1 0 343.387 2.223 10 5 EEBERO CCOc1ccc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113226847 462578059 /nfs/dbraw/zinc/57/80/59/462578059.db2.gz JGLPNFVSTAEXNR-GXTWGEPZSA-N 1 0 333.388 2.302 10 5 EEBERO CCCC(=O)N[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000153897263 462705753 /nfs/dbraw/zinc/70/57/53/462705753.db2.gz UGNVXUSGFGVACB-ZBFHGGJFSA-N 1 0 335.404 2.009 10 5 EEBERO CC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153962288 462714595 /nfs/dbraw/zinc/71/45/95/462714595.db2.gz RMXWWCGGHJLBRQ-ZDUSSCGKSA-N 1 0 327.812 2.137 10 5 EEBERO CN1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1=O ZINC000119951204 462945450 /nfs/dbraw/zinc/94/54/50/462945450.db2.gz PSHNSOCNOJALIC-GFCCVEGCSA-N 1 0 346.412 2.429 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000067922840 463068441 /nfs/dbraw/zinc/06/84/41/463068441.db2.gz VUHLGYNCBZNMDN-UHFFFAOYSA-N 1 0 349.431 2.384 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186858552 464074189 /nfs/dbraw/zinc/07/41/89/464074189.db2.gz NPVAXBNAGSQLHX-ZWNOBZJWSA-N 1 0 346.412 2.446 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245645715 464501927 /nfs/dbraw/zinc/50/19/27/464501927.db2.gz BMSRZBMLZNJSDG-RHSMWYFYSA-N 1 0 340.383 2.352 10 5 EEBERO C[NH+](C)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000181669811 464518159 /nfs/dbraw/zinc/51/81/59/464518159.db2.gz AYBNXKGPWBUNAQ-UHFFFAOYSA-N 1 0 343.330 2.362 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000272293207 464551199 /nfs/dbraw/zinc/55/11/99/464551199.db2.gz HLJTVWKUWQVXQS-HNNXBMFYSA-N 1 0 348.447 2.060 10 5 EEBERO C[C@@H]1CC[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000599935875 468417162 /nfs/dbraw/zinc/41/71/62/468417162.db2.gz ZHMCPHOKMYAHGH-TZMCWYRMSA-N 1 0 332.404 2.409 10 5 EEBERO C[NH+](C)Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2N)ccc1F ZINC000176713852 464830889 /nfs/dbraw/zinc/83/08/89/464830889.db2.gz MRTUXNIJRPQLGC-UHFFFAOYSA-N 1 0 346.362 2.308 10 5 EEBERO COc1cc(C[N@H+](C)CCCCO)c([N+](=O)[O-])cc1OC(F)F ZINC000276600931 464995466 /nfs/dbraw/zinc/99/54/66/464995466.db2.gz FJTIUWYFEYFSOX-UHFFFAOYSA-N 1 0 334.319 2.409 10 5 EEBERO CC[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000254929769 465019517 /nfs/dbraw/zinc/01/95/17/465019517.db2.gz RQUVLCMVXNTBCG-HWYHOQROSA-N 1 0 347.415 2.177 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000342482205 465324570 /nfs/dbraw/zinc/32/45/70/465324570.db2.gz XZOQOEBVHCHLIP-VXGBXAGGSA-N 1 0 336.392 2.004 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000593919393 468434854 /nfs/dbraw/zinc/43/48/54/468434854.db2.gz PVHYAYFDBYTGNC-PVAVHDDUSA-N 1 0 347.415 2.025 10 5 EEBERO Cc1c(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000600006692 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2.053 10 5 EEBERO C[C@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000349157518 466000194 /nfs/dbraw/zinc/00/01/94/466000194.db2.gz YTOSZGRLBCZPME-ZBEGNZNMSA-N 1 0 335.379 2.390 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340821876 466362964 /nfs/dbraw/zinc/36/29/64/466362964.db2.gz RVTIOKWSFHPEJE-AWEZNQCLSA-N 1 0 347.371 2.182 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000362029053 466497779 /nfs/dbraw/zinc/49/77/79/466497779.db2.gz RTWIARHLYODPDD-KZNAEPCWSA-N 1 0 344.415 2.468 10 5 EEBERO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411322880 466807397 /nfs/dbraw/zinc/80/73/97/466807397.db2.gz DHMJSMQPAFRPAF-CZUORRHYSA-N 1 0 334.420 2.338 10 5 EEBERO Nc1nccc([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366004149 467023895 /nfs/dbraw/zinc/02/38/95/467023895.db2.gz NJAMNAWDUZUDBV-AWEZNQCLSA-N 1 0 327.388 2.389 10 5 EEBERO COc1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c([N+](=O)[O-])cc1OC ZINC000401373524 467459981 /nfs/dbraw/zinc/45/99/81/467459981.db2.gz KIDGQDRXXMIJSW-OAHLLOKOSA-N 1 0 349.387 2.017 10 5 EEBERO C[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000487031764 468019164 /nfs/dbraw/zinc/01/91/64/468019164.db2.gz ADOLQWYVDWDHRT-SNVBAGLBSA-N 1 0 339.342 2.182 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000488717752 468098869 /nfs/dbraw/zinc/09/88/69/468098869.db2.gz LGNQJWDURRDTIF-ZJUUUORDSA-N 1 0 346.330 2.408 10 5 EEBERO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589511590 468158228 /nfs/dbraw/zinc/15/82/28/468158228.db2.gz WSEZDCUWPPTTDW-QWRGUYRKSA-N 1 0 338.360 2.059 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590375959 468242729 /nfs/dbraw/zinc/24/27/29/468242729.db2.gz RMHHLJTVEBFWQJ-UHFFFAOYSA-N 1 0 346.431 2.341 10 5 EEBERO CNc1c(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000597667031 468631630 /nfs/dbraw/zinc/63/16/30/468631630.db2.gz NXWMUMLBSALXNC-UHFFFAOYSA-N 1 0 332.404 2.194 10 5 EEBERO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601016260 468719346 /nfs/dbraw/zinc/71/93/46/468719346.db2.gz IQPWSNFSRQPPDK-AWEZNQCLSA-N 1 0 329.400 2.369 10 5 EEBERO CCN(C(=O)CCOc1cc(C)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000597946297 468721425 /nfs/dbraw/zinc/72/14/25/468721425.db2.gz NSAQHUVGGZNEGA-AWEZNQCLSA-N 1 0 335.404 2.225 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000594976306 468735984 /nfs/dbraw/zinc/73/59/84/468735984.db2.gz ZFBPBPCJKKVSST-LJQANCHMSA-N 1 0 341.411 2.451 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000595046313 468747737 /nfs/dbraw/zinc/74/77/37/468747737.db2.gz PCBGUUVYSWFSNR-YVEFUNNKSA-N 1 0 338.404 2.432 10 5 EEBERO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601366661 468843136 /nfs/dbraw/zinc/84/31/36/468843136.db2.gz FULMHGWNUXIXGK-LLVKDONJSA-N 1 0 347.462 2.117 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598561456 468914587 /nfs/dbraw/zinc/91/45/87/468914587.db2.gz RASDFOXGIYKONB-CQSZACIVSA-N 1 0 332.404 2.150 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000595672524 468948185 /nfs/dbraw/zinc/94/81/85/468948185.db2.gz ADDGCUUHKZUMOQ-GOEBONIOSA-N 1 0 346.387 2.363 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593463857 468991397 /nfs/dbraw/zinc/99/13/97/468991397.db2.gz AHUPLTSJMRIAFO-ZDUSSCGKSA-N 1 0 330.388 2.036 10 5 EEBERO C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CC(C)(C)O ZINC000593477136 468997805 /nfs/dbraw/zinc/99/78/05/468997805.db2.gz WFMWWSHHIIKDTQ-ZDUSSCGKSA-N 1 0 344.415 2.424 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)cn2)CC1 ZINC000601774332 469017257 /nfs/dbraw/zinc/01/72/57/469017257.db2.gz LZTRPNSWPQLZOQ-UHFFFAOYSA-N 1 0 347.350 2.449 10 5 EEBERO Nc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587982402 469099259 /nfs/dbraw/zinc/09/92/59/469099259.db2.gz HGXJCZVJJSOQOO-CQSZACIVSA-N 1 0 334.420 2.124 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599085504 469111899 /nfs/dbraw/zinc/11/18/99/469111899.db2.gz SIROZQFMZGKVAS-DIOULYMOSA-N 1 0 333.388 2.469 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000599086233 469113123 /nfs/dbraw/zinc/11/31/23/469113123.db2.gz ZKMWXQJLVKWBTH-DJSGYFEHSA-N 1 0 333.388 2.469 10 5 EEBERO Cc1noc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000599090744 469116096 /nfs/dbraw/zinc/11/60/96/469116096.db2.gz CHEJCRMHXRIUDD-KCQAQPDRSA-N 1 0 330.344 2.393 10 5 EEBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180004 469184470 /nfs/dbraw/zinc/18/44/70/469184470.db2.gz PNDDFQJUUBDZFU-SNVBAGLBSA-N 1 0 341.314 2.480 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599573963 469297024 /nfs/dbraw/zinc/29/70/24/469297024.db2.gz LLUWVXKPRHLGJX-KRWDZBQOSA-N 1 0 328.372 2.283 10 5 EEBERO CC(C)c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000615728206 469306587 /nfs/dbraw/zinc/30/65/87/469306587.db2.gz UHQKLGBFKGHKGY-UHFFFAOYSA-N 1 0 326.418 2.243 10 5 EEBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599626102 469314847 /nfs/dbraw/zinc/31/48/47/469314847.db2.gz UEKDECKHMNFMBA-YYFFNPIBSA-N 1 0 333.388 2.102 10 5 EEBERO C[C@H]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000602550990 469358597 /nfs/dbraw/zinc/35/85/97/469358597.db2.gz ATCVZNYNGPZZSL-KWQFWETISA-N 1 0 342.193 2.228 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000604198338 469462923 /nfs/dbraw/zinc/46/29/23/469462923.db2.gz GXLUSSMNZFCAFS-HNNXBMFYSA-N 1 0 346.431 2.022 10 5 EEBERO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619788565 469682117 /nfs/dbraw/zinc/68/21/17/469682117.db2.gz SPEXIAIHSKPABN-CYBMUJFWSA-N 1 0 343.387 2.055 10 5 EEBERO COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000776812828 577468444 /nfs/dbraw/zinc/46/84/44/577468444.db2.gz NMBRKADDBAFCBJ-CABCVRRESA-N 1 0 344.795 2.158 10 5 EEBERO CC(C)c1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1[N+](=O)[O-] ZINC000895773508 684719062 /nfs/dbraw/zinc/71/90/62/684719062.db2.gz RFNYWFUYUGMJCZ-INIZCTEOSA-N 1 0 347.415 2.103 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC000898840377 693488337 /nfs/dbraw/zinc/48/83/37/693488337.db2.gz JBNCVEJCGVPSRF-HUUCEWRRSA-N 1 0 333.388 2.206 10 5 EEBERO CCOCC(=O)N1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001485751963 1191932633 /nfs/dbraw/zinc/93/26/33/1191932633.db2.gz LXBRDSKRDOPZSU-UHFFFAOYSA-N 1 0 341.433 2.116 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CCc1ccccn1 ZINC001481265316 1180516071 /nfs/dbraw/zinc/51/60/71/1180516071.db2.gz HYFSTXXSKDRCNJ-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO CCc1ncc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001481322250 1181033151 /nfs/dbraw/zinc/03/31/51/1181033151.db2.gz UONPZAMGVGNOCK-UHFFFAOYSA-N 1 0 348.428 2.476 10 5 EEBERO CCOCC(=O)N1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001481509190 1181596901 /nfs/dbraw/zinc/59/69/01/1181596901.db2.gz LOGONIPKHVEURE-UHFFFAOYSA-N 1 0 349.431 2.302 10 5 EEBERO Cc1nc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001268788082 1183703342 /nfs/dbraw/zinc/70/33/42/1183703342.db2.gz WIHCBLHCZVBIHT-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO Cc1cnoc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001483501824 1190517178 /nfs/dbraw/zinc/51/71/78/1190517178.db2.gz GTBDVDGGRQGGLA-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CCc1cc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001670889840 1191005188 /nfs/dbraw/zinc/00/51/88/1191005188.db2.gz MYSUYPGQUZKHGP-UHFFFAOYSA-N 1 0 344.371 2.197 10 5 EEBERO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872076141 1198041869 /nfs/dbraw/zinc/04/18/69/1198041869.db2.gz YDNMOXLWTPEZFL-OLZOCXBDSA-N 1 0 325.384 2.231 10 5 EEBERO O=C(CC[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)Nc1ccccc1[N+](=O)[O-] ZINC000872245860 1198109566 /nfs/dbraw/zinc/10/95/66/1198109566.db2.gz FRJKRMQIDFEOQZ-XEZPLFJOSA-N 1 0 333.388 2.471 10 5 EEBERO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCOC1 ZINC000812878917 1200966188 /nfs/dbraw/zinc/96/61/88/1200966188.db2.gz KAKVSMALZBKJOV-GFCCVEGCSA-N 1 0 325.340 2.173 10 5 EEBERO O=C(CN1CCC[C@@H]2[NH2+]CC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866720968 1201589247 /nfs/dbraw/zinc/58/92/47/1201589247.db2.gz QGVVYGBLRYJBFE-QWHCGFSZSA-N 1 0 338.795 2.013 10 5 EEBERO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000867743099 1201671320 /nfs/dbraw/zinc/67/13/20/1201671320.db2.gz ILFNFHPGDKYIOU-UHFFFAOYSA-N 1 0 341.433 2.136 10 5 EEBERO CC1(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001274447836 1205042209 /nfs/dbraw/zinc/04/22/09/1205042209.db2.gz GWSZQUDFAJBVLD-NSCUHMNNSA-N 1 0 347.415 2.174 10 5 EEBERO Cc1c(Cc2noc(COC3CC[NH+](C)CC3)n2)cccc1[N+](=O)[O-] ZINC000923949614 1205928167 /nfs/dbraw/zinc/92/81/67/1205928167.db2.gz DKVUJZBJJHZLPX-UHFFFAOYSA-N 1 0 346.387 2.488 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931312140 1206623783 /nfs/dbraw/zinc/62/37/83/1206623783.db2.gz VHOBDBRWJXYCPQ-QZTJIDSGSA-N 1 0 346.431 2.115 10 5 EEBERO CCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)CCCC1 ZINC001491070805 1258637622 /nfs/dbraw/zinc/63/76/22/1258637622.db2.gz WGOSADIIHYWBFZ-BETUJISGSA-N 1 0 349.435 2.036 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853799055 1292458929 /nfs/dbraw/zinc/45/89/29/1292458929.db2.gz NMKZSVZMERDMKP-UHFFFAOYSA-N 1 0 337.449 2.500 10 5 EEBERO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc2cnccc21 ZINC000858374498 1294099950 /nfs/dbraw/zinc/09/99/50/1294099950.db2.gz NWBZOAVPROFFLB-KGLIPLIRSA-N 1 0 328.372 2.418 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000861350705 1295359556 /nfs/dbraw/zinc/35/95/56/1295359556.db2.gz FCTBXGHLDFQFNO-PVUWLOKVSA-N 1 0 336.388 2.351 10 5 EEBERO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863581903 1296343406 /nfs/dbraw/zinc/34/34/06/1296343406.db2.gz YBVDABXJJLFCBK-IRXDYDNUSA-N 1 0 341.367 2.045 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C[C@@]2(C)C1 ZINC000931315091 1297131976 /nfs/dbraw/zinc/13/19/76/1297131976.db2.gz UHEYSXDOLZFCNN-CALCHBBNSA-N 1 0 329.404 2.245 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001123864391 1310740399 /nfs/dbraw/zinc/74/03/99/1310740399.db2.gz YFKNINGXBFUDEE-DLBZAZTESA-N 1 0 347.415 2.011 10 5 EEBERO CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247336 1314582586 /nfs/dbraw/zinc/58/25/86/1314582586.db2.gz KCJYYEHMQHCVAP-KRWDZBQOSA-N 1 0 347.415 2.449 10 5 EEBERO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001161000183 1320349584 /nfs/dbraw/zinc/34/95/84/1320349584.db2.gz GULLKNMNVJZACF-NSHDSACASA-N 1 0 336.348 2.059 10 5 EEBERO CCc1nc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)co1 ZINC001492232371 1331103649 /nfs/dbraw/zinc/10/36/49/1331103649.db2.gz ZBCYAIDPJAJCNR-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cc(F)c[nH]1 ZINC001317553808 1332295114 /nfs/dbraw/zinc/29/51/14/1332295114.db2.gz CEGALWRMBKEICM-UHFFFAOYSA-N 1 0 346.362 2.456 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccsc1 ZINC001317685856 1332372262 /nfs/dbraw/zinc/37/22/62/1332372262.db2.gz FCJPQECVNCPARN-ZIAGYGMSSA-N 1 0 325.434 2.130 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(C3CC3)CCOCC2)c1 ZINC001326448364 1334096043 /nfs/dbraw/zinc/09/60/43/1334096043.db2.gz QMOLCQGPOXETPM-UHFFFAOYSA-N 1 0 334.372 2.430 10 5 EEBERO CCc1ccnc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001567500288 1342771297 /nfs/dbraw/zinc/77/12/97/1342771297.db2.gz DLMSOJCXSYKTRK-UHFFFAOYSA-N 1 0 342.399 2.414 10 5 EEBERO CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001571611808 1343251285 /nfs/dbraw/zinc/25/12/85/1343251285.db2.gz MZUXSCNBRRAFOZ-HZPDHXFCSA-N 1 0 337.464 2.401 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001626738742 1352471917 /nfs/dbraw/zinc/47/19/17/1352471917.db2.gz XVFLYDXIEYKMOG-ZDUSSCGKSA-N 1 0 337.807 2.487 10 5 EEBERO CSc1cccc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001640013204 1352704383 /nfs/dbraw/zinc/70/43/83/1352704383.db2.gz CKMNEQOOBGHGBZ-GFCCVEGCSA-N 1 0 335.429 2.388 10 5 EEBERO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cccc(=O)[nH]1 ZINC001648420896 1353428867 /nfs/dbraw/zinc/42/88/67/1353428867.db2.gz IHSRESBPOAGNCU-UHFFFAOYSA-N 1 0 348.334 2.295 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)C1=CCOCC1 ZINC001673160906 1354136556 /nfs/dbraw/zinc/13/65/56/1354136556.db2.gz XIPHTOCHLYEFHP-UHFFFAOYSA-N 1 0 345.399 2.070 10 5 EEBERO COc1c(C(=O)NCCCCc2cc[nH+]c(N)c2)cccc1[N+](=O)[O-] ZINC001654068438 1354139990 /nfs/dbraw/zinc/13/99/90/1354139990.db2.gz AWZBDHCZPAODJL-UHFFFAOYSA-N 1 0 344.371 2.333 10 5 EEBERO CC1CC[NH+](CC[C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001654512812 1354150616 /nfs/dbraw/zinc/15/06/16/1354150616.db2.gz YDWAHXYRUPJSJE-MRXNPFEDSA-N 1 0 335.452 2.378 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC001654567701 1354152603 /nfs/dbraw/zinc/15/26/03/1354152603.db2.gz CUYTYBOMRUZFJX-NEPJUHHUSA-N 1 0 331.376 2.315 10 5 EEBERO Cc1nn(C)c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1[N+](=O)[O-] ZINC001654637213 1354154702 /nfs/dbraw/zinc/15/47/02/1354154702.db2.gz IHEMUPGNNGBPFN-UHFFFAOYSA-N 1 0 335.339 2.090 10 5 EEBERO Cc1cc([N+](=O)[O-])cnc1N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001655965475 1354191928 /nfs/dbraw/zinc/19/19/28/1354191928.db2.gz UMYKECXCTCDILM-HNNXBMFYSA-N 1 0 330.363 2.458 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccnn1C ZINC001659865057 1354388415 /nfs/dbraw/zinc/38/84/15/1354388415.db2.gz ALOBVMXMZVLFRB-NSHDSACASA-N 1 0 347.375 2.016 10 5 EEBERO COCCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001661604815 1354664230 /nfs/dbraw/zinc/66/42/30/1354664230.db2.gz CCDPZYROUCTWBA-GASCZTMLSA-N 1 0 347.415 2.148 10 5 EEBERO Cc1ccc(C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)c(C)n1 ZINC001664510652 1355181806 /nfs/dbraw/zinc/18/18/06/1355181806.db2.gz SBLATIRDPOJNPE-IAGOWNOFSA-N 1 0 348.447 2.080 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1coc(C)n1 ZINC001668411601 1355936698 /nfs/dbraw/zinc/93/66/98/1355936698.db2.gz CBFDCQLXJDURCG-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC(C)c1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668821995 1356012898 /nfs/dbraw/zinc/01/28/98/1356012898.db2.gz UOZPZENJKOPFIV-MBZYTVFJSA-N 1 0 331.416 2.237 10 5 EEBERO Cc1nn(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000840190019 782370106 /nfs/dbraw/zinc/37/01/06/782370106.db2.gz TZMWVBITOIIWHZ-CYBMUJFWSA-N 1 0 345.403 2.199 10 5 EEBERO COC(=O)/C=C\c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000920337722 770678851 /nfs/dbraw/zinc/67/88/51/770678851.db2.gz XVZBPLHCUCLPRI-RBWDJNPFSA-N 1 0 331.372 2.430 10 5 EEBERO Cc1c(C(=O)N2CCC3(CC[NH2+]3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818021929 785147919 /nfs/dbraw/zinc/14/79/19/785147919.db2.gz PDMBAGPTUSMQAU-UHFFFAOYSA-N 1 0 348.359 2.088 10 5 EEBERO C[C@H]1C[C@@H](C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)CC[N@@H+]1C ZINC000911473081 787466719 /nfs/dbraw/zinc/46/67/19/787466719.db2.gz ABFGGZDALRKKKJ-UWVGGRQHSA-N 1 0 327.331 2.220 10 5 EEBERO COc1cc(C(=O)N2CCC([NH+]3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000912871215 788434151 /nfs/dbraw/zinc/43/41/51/788434151.db2.gz NGYNSPMZCNPXLG-UHFFFAOYSA-N 1 0 337.351 2.053 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000843514232 788669955 /nfs/dbraw/zinc/66/99/55/788669955.db2.gz NOSVOICVIUDMJJ-CQSZACIVSA-N 1 0 348.359 2.216 10 5 EEBERO [NH3+]C1CC(CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000715111035 795244802 /nfs/dbraw/zinc/24/48/02/795244802.db2.gz ZPZLNMUVTSIJLW-UHFFFAOYSA-N 1 0 347.156 2.349 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N(C)CCC[NH+](C)C ZINC000790274865 808576003 /nfs/dbraw/zinc/57/60/03/808576003.db2.gz OKNBYSIQJQYVJJ-UHFFFAOYSA-N 1 0 329.784 2.423 10 5 EEBERO Cc1c[nH]cc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001566516670 1125689507 /nfs/dbraw/zinc/68/95/07/1125689507.db2.gz UHZQIPLEDHHOAC-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC001497534990 1102634063 /nfs/dbraw/zinc/63/40/63/1102634063.db2.gz MAXBSAIVUVVKGD-ARJAWSKDSA-N 1 0 341.367 2.376 10 5 EEBERO C[NH+](C)C1(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CCC1 ZINC001458326599 1109859160 /nfs/dbraw/zinc/85/91/60/1109859160.db2.gz UEGVIQAJBHJVDW-UHFFFAOYSA-N 1 0 345.359 2.369 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001470251533 1110503962 /nfs/dbraw/zinc/50/39/62/1110503962.db2.gz VWZYEALALSAAKN-GFCCVEGCSA-N 1 0 332.404 2.314 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)n1 ZINC001537990068 1124018098 /nfs/dbraw/zinc/01/80/98/1124018098.db2.gz FFHIZXGXTQDBTM-CYBMUJFWSA-N 1 0 341.371 2.044 10 5 EEBERO C[NH+](C)[C@]1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC001545186909 1124182739 /nfs/dbraw/zinc/18/27/39/1124182739.db2.gz PWPGWLXHHISTHT-AWEZNQCLSA-N 1 0 343.836 2.415 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000191474952 237256810 /nfs/dbraw/zinc/25/68/10/237256810.db2.gz GYQYPAZJIOAVGC-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO [NH3+]CC[C@H]1CCCCN1c1ncc(Br)cc1[N+](=O)[O-] ZINC000070150297 202309373 /nfs/dbraw/zinc/30/93/73/202309373.db2.gz ZNDJCUIEPYLPLM-SNVBAGLBSA-N 1 0 329.198 2.460 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC2(CC[NH2+]2)CC1 ZINC000422632531 240166853 /nfs/dbraw/zinc/16/68/53/240166853.db2.gz GZHUJGHGQQSMLP-UHFFFAOYSA-N 1 0 332.404 2.060 10 5 EEBERO COCCN(C)C(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000070039376 203071640 /nfs/dbraw/zinc/07/16/40/203071640.db2.gz DLKKNTKHRDYJKH-ZBFHGGJFSA-N 1 0 349.431 2.473 10 5 EEBERO O=[N+]([O-])c1ccc(NCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000043596867 204286477 /nfs/dbraw/zinc/28/64/77/204286477.db2.gz LMDIQXZMQCGUHB-UHFFFAOYSA-N 1 0 343.225 2.065 10 5 EEBERO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045623309 204328702 /nfs/dbraw/zinc/32/87/02/204328702.db2.gz HKMXKMVIDQMOQN-NWDGAFQWSA-N 1 0 342.193 2.357 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000156114393 206057130 /nfs/dbraw/zinc/05/71/30/206057130.db2.gz NKYWOUCYHXKZKT-CYBMUJFWSA-N 1 0 334.376 2.305 10 5 EEBERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc([N+](=O)[O-])c1 ZINC000176436853 207228556 /nfs/dbraw/zinc/22/85/56/207228556.db2.gz FYAPXRSLLQZCQU-AWEZNQCLSA-N 1 0 349.431 2.068 10 5 EEBERO Cc1cc(C)n2c(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cnc2n1 ZINC000348921487 144802924 /nfs/dbraw/zinc/80/29/24/144802924.db2.gz NFSOOWHRLGCTAA-UHFFFAOYSA-N 1 0 340.387 2.220 10 5 EEBERO CCc1nnc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190690348 152217478 /nfs/dbraw/zinc/21/74/78/152217478.db2.gz VAJYFNFDXHNDAL-HNNXBMFYSA-N 1 0 345.403 2.188 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000247536920 160328107 /nfs/dbraw/zinc/32/81/07/160328107.db2.gz XSSMWXILGIMXHR-GXTWGEPZSA-N 1 0 335.404 2.406 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342015655 161032184 /nfs/dbraw/zinc/03/21/84/161032184.db2.gz JAYYXLUMPYOZSO-CQSZACIVSA-N 1 0 335.404 2.469 10 5 EEBERO COc1cc(C[N@H+](C)C2CCC(NC(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000344121141 161200307 /nfs/dbraw/zinc/20/03/07/161200307.db2.gz SNLFMOHSUVEAIA-UHFFFAOYSA-N 1 0 335.404 2.483 10 5 EEBERO C[NH+](C)CC1(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000344225283 161209018 /nfs/dbraw/zinc/20/90/18/161209018.db2.gz RHMPAPBAKJTTLC-UHFFFAOYSA-N 1 0 327.331 2.016 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349302519 161545779 /nfs/dbraw/zinc/54/57/79/161545779.db2.gz XNXVQIHEMRHRSM-BXKDBHETSA-N 1 0 349.309 2.215 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000154261582 292519742 /nfs/dbraw/zinc/51/97/42/292519742.db2.gz UBZARJJQLDWTAL-SUMWQHHRSA-N 1 0 338.404 2.433 10 5 EEBERO C[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277456417 274294379 /nfs/dbraw/zinc/29/43/79/274294379.db2.gz MFJFNBNRNLIADP-JOYOIKCWSA-N 1 0 327.768 2.201 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290146652 275184125 /nfs/dbraw/zinc/18/41/25/275184125.db2.gz OOIDMGJBUWLIGF-JTQLQIEISA-N 1 0 332.809 2.163 10 5 EEBERO CN1CC[NH+](CCCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291689024 275330229 /nfs/dbraw/zinc/33/02/29/275330229.db2.gz SFJFTGVDJQGHAX-UHFFFAOYSA-N 1 0 329.404 2.192 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000292724413 275470619 /nfs/dbraw/zinc/47/06/19/275470619.db2.gz SBOAFZMOOLNNTK-JTQLQIEISA-N 1 0 349.840 2.033 10 5 EEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298927295 294618060 /nfs/dbraw/zinc/61/80/60/294618060.db2.gz GRVMOJHCDYMCRZ-MRXNPFEDSA-N 1 0 327.384 2.498 10 5 EEBERO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418086986 313708595 /nfs/dbraw/zinc/70/85/95/313708595.db2.gz FKWJMKWRGXIZLK-YUMQZZPRSA-N 1 0 334.298 2.149 10 5 EEBERO Cc1c(NC(=O)CCN2CCC3(CC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000422639454 314297465 /nfs/dbraw/zinc/29/74/65/314297465.db2.gz SVASQXPNACTAIK-UHFFFAOYSA-N 1 0 332.404 2.060 10 5 EEBERO CN1CCC(CNc2ccc([N+](=O)[O-])nc2)([NH+]2CCCCC2)CC1 ZINC000445599503 315359184 /nfs/dbraw/zinc/35/91/84/315359184.db2.gz HZMZXPHLGXRULO-UHFFFAOYSA-N 1 0 333.436 2.352 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448883481 315396735 /nfs/dbraw/zinc/39/67/35/315396735.db2.gz QYDJWHHXUQOXRB-AWEZNQCLSA-N 1 0 343.387 2.151 10 5 EEBERO COC(=O)CC1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000565778995 319213575 /nfs/dbraw/zinc/21/35/75/319213575.db2.gz UDPUGPIDXPWEJJ-UHFFFAOYSA-N 1 0 331.328 2.435 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000337214070 465247360 /nfs/dbraw/zinc/24/73/60/465247360.db2.gz DVDLFGYDQAMWKC-UHFFFAOYSA-N 1 0 344.371 2.491 10 5 EEBERO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347969249 465342215 /nfs/dbraw/zinc/34/22/15/465342215.db2.gz BXVDQFLGLZEXFU-QGZVFWFLSA-N 1 0 344.415 2.335 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000113601546 462605903 /nfs/dbraw/zinc/60/59/03/462605903.db2.gz PRBYXZUVLLEAPA-XJKSGUPXSA-N 1 0 332.404 2.015 10 5 EEBERO CCn1cc([N+](=O)[O-])c(=O)c2cc(F)c(N3C[C@@H](C)[NH2+][C@H](C)C3)cc21 ZINC000005393656 462658875 /nfs/dbraw/zinc/65/88/75/462658875.db2.gz DMJRIWIYFASLJV-GHMZBOCLSA-N 1 0 348.378 2.255 10 5 EEBERO COc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000089602851 462697897 /nfs/dbraw/zinc/69/78/97/462697897.db2.gz AJJSZNJOTWNXOM-LBPRGKRZSA-N 1 0 339.367 2.408 10 5 EEBERO [NH3+]CCC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000093434383 463036917 /nfs/dbraw/zinc/03/69/17/463036917.db2.gz MVDBSHYOCOHFIQ-UHFFFAOYSA-N 1 0 329.198 2.318 10 5 EEBERO COc1ccc(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000067907073 463065981 /nfs/dbraw/zinc/06/59/81/463065981.db2.gz QFBMOLXWNFLTRH-CYBMUJFWSA-N 1 0 335.404 2.137 10 5 EEBERO COc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1[N+](=O)[O-] ZINC000081651749 463476839 /nfs/dbraw/zinc/47/68/39/463476839.db2.gz MDOGBMTURNYCAE-CABCVRRESA-N 1 0 347.415 2.436 10 5 EEBERO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000058561804 463608740 /nfs/dbraw/zinc/60/87/40/463608740.db2.gz RRAMGBMOVTZGKE-ZDUSSCGKSA-N 1 0 341.433 2.056 10 5 EEBERO CCc1[nH]nc(C(=O)N2CCC[C@@H](n3ccnc3CC)C2)c1[N+](=O)[O-] ZINC000171820680 463930280 /nfs/dbraw/zinc/93/02/80/463930280.db2.gz LYLJZBCYDAGVNK-LLVKDONJSA-N 1 0 346.391 2.117 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000284961092 464406532 /nfs/dbraw/zinc/40/65/32/464406532.db2.gz KEODNFSCPYFJKR-HOTGVXAUSA-N 1 0 328.372 2.052 10 5 EEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180985227 464431050 /nfs/dbraw/zinc/43/10/50/464431050.db2.gz JNGRCPWYFJTSBH-GFCCVEGCSA-N 1 0 337.376 2.030 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000181268205 464463630 /nfs/dbraw/zinc/46/36/30/464463630.db2.gz BMSRZBMLZNJSDG-PBHICJAKSA-N 1 0 340.383 2.352 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000245475450 464486625 /nfs/dbraw/zinc/48/66/25/464486625.db2.gz RXFWVTKNMVTNSX-IRXDYDNUSA-N 1 0 346.431 2.116 10 5 EEBERO CC[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181533293 464501396 /nfs/dbraw/zinc/50/13/96/464501396.db2.gz UYQQKGHZJBXUMZ-WBVHZDCISA-N 1 0 338.404 2.192 10 5 EEBERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000190446357 464647600 /nfs/dbraw/zinc/64/76/00/464647600.db2.gz MQUBHUOELPRFRP-OAHLLOKOSA-N 1 0 327.388 2.343 10 5 EEBERO COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000286023252 464778048 /nfs/dbraw/zinc/77/80/48/464778048.db2.gz AQBSHIRAXIVPTM-NWDGAFQWSA-N 1 0 336.392 2.004 10 5 EEBERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183131434 464804255 /nfs/dbraw/zinc/80/42/55/464804255.db2.gz NQLKBHMQYUWKMU-WBVHZDCISA-N 1 0 344.415 2.456 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000249533107 464887434 /nfs/dbraw/zinc/88/74/34/464887434.db2.gz BMXYOEKJTKMIPN-PXAZEXFGSA-N 1 0 335.404 2.325 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721799 464984684 /nfs/dbraw/zinc/98/46/84/464984684.db2.gz MYUPTMFFZGEHMB-FUHWJXTLSA-N 1 0 333.432 2.409 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@H]1c1cc[nH]n1)Nc1ccccc1[N+](=O)[O-] ZINC000298448361 465397912 /nfs/dbraw/zinc/39/79/12/465397912.db2.gz HHCYTOSBTGGNCX-AWEZNQCLSA-N 1 0 329.360 2.484 10 5 EEBERO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ccncc1[N+](=O)[O-] ZINC000361004628 465694515 /nfs/dbraw/zinc/69/45/15/465694515.db2.gz YWBIQFAWSYDNGX-UHFFFAOYSA-N 1 0 341.415 2.248 10 5 EEBERO C[NH+](C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(F)cc1 ZINC000301854507 466046408 /nfs/dbraw/zinc/04/64/08/466046408.db2.gz YINDTSFVYBSXJJ-CYBMUJFWSA-N 1 0 344.350 2.491 10 5 EEBERO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCCO1 ZINC000594041076 468469186 /nfs/dbraw/zinc/46/91/86/468469186.db2.gz CEFUHXFRQDXARL-DOTOQJQBSA-N 1 0 347.415 2.421 10 5 EEBERO O=[N+]([O-])c1cnccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000347299062 466545128 /nfs/dbraw/zinc/54/51/28/466545128.db2.gz XYIBEBXBGIHQIT-UHFFFAOYSA-N 1 0 342.399 2.498 10 5 EEBERO COc1cc(CNC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1O ZINC000370134448 466772495 /nfs/dbraw/zinc/77/24/95/466772495.db2.gz XHPZRVWGQAIKHQ-UHFFFAOYSA-N 1 0 335.404 2.416 10 5 EEBERO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000411748370 466893046 /nfs/dbraw/zinc/89/30/46/466893046.db2.gz RTUSAVMHCFZWNJ-LBPRGKRZSA-N 1 0 337.376 2.043 10 5 EEBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1CCO ZINC000449393241 467636714 /nfs/dbraw/zinc/63/67/14/467636714.db2.gz LUQBZDYJLMVLAH-DOTOQJQBSA-N 1 0 335.448 2.352 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000590375031 468242056 /nfs/dbraw/zinc/24/20/56/468242056.db2.gz DZIOEAFBNNIBPE-GOSISDBHSA-N 1 0 347.415 2.299 10 5 EEBERO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594510243 468612302 /nfs/dbraw/zinc/61/23/02/468612302.db2.gz KRQKBGJMRSTNHK-RWMBFGLXSA-N 1 0 325.384 2.321 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]([NH+]4CCOCC4)CC3)nc2c1 ZINC000594598839 468631604 /nfs/dbraw/zinc/63/16/04/468631604.db2.gz KHGFHHZTLFYXQL-CYBMUJFWSA-N 1 0 345.403 2.162 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000592166860 468644837 /nfs/dbraw/zinc/64/48/37/468644837.db2.gz JZVNQFNNMKOEMK-ROUUACIJSA-N 1 0 344.415 2.249 10 5 EEBERO COC[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000594954565 468731088 /nfs/dbraw/zinc/73/10/88/468731088.db2.gz HVFSPQYCUVLFMD-INIZCTEOSA-N 1 0 348.403 2.136 10 5 EEBERO CC(C)C[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601099853 468740760 /nfs/dbraw/zinc/74/07/60/468740760.db2.gz BBLMSPKMKYLBDY-UHFFFAOYSA-N 1 0 335.330 2.125 10 5 EEBERO COCc1n[nH]c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595066484 468752185 /nfs/dbraw/zinc/75/21/85/468752185.db2.gz HUOBGEPBNOHCGN-GXTWGEPZSA-N 1 0 345.403 2.360 10 5 EEBERO C[NH+](C)CCOc1cc(CNc2ncc(F)cc2[N+](=O)[O-])ccn1 ZINC000601135587 468755859 /nfs/dbraw/zinc/75/58/59/468755859.db2.gz HLKYXGRGDWTWJP-UHFFFAOYSA-N 1 0 335.339 2.076 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000601189733 468776221 /nfs/dbraw/zinc/77/62/21/468776221.db2.gz UCQFCXXWPFFKAU-KRWDZBQOSA-N 1 0 330.388 2.036 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601464587 468885552 /nfs/dbraw/zinc/88/55/52/468885552.db2.gz REEOFBMGIXUROJ-SNVBAGLBSA-N 1 0 347.462 2.116 10 5 EEBERO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000595615346 468923233 /nfs/dbraw/zinc/92/32/33/468923233.db2.gz LWRJXLZDMZTKPR-OAHLLOKOSA-N 1 0 334.376 2.002 10 5 EEBERO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598971831 469072934 /nfs/dbraw/zinc/07/29/34/469072934.db2.gz GKVAPYGYBWAEAN-UVBJJODRSA-N 1 0 338.429 2.393 10 5 EEBERO Nc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000588004072 469102528 /nfs/dbraw/zinc/10/25/28/469102528.db2.gz TZWSTYFHWUQGDA-YVEFUNNKSA-N 1 0 346.431 2.122 10 5 EEBERO CCO[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C[NH3+] ZINC000593763466 469129699 /nfs/dbraw/zinc/12/96/99/469129699.db2.gz LTNUBEFSBVWCHA-IUODEOHRSA-N 1 0 336.392 2.039 10 5 EEBERO O=[N+]([O-])c1ccc2ncnc(NC[C@@H]3CC[N@@H+]3C3CCCC3)c2c1 ZINC000599166574 469146418 /nfs/dbraw/zinc/14/64/18/469146418.db2.gz YFBSETJAUVDTQS-AWEZNQCLSA-N 1 0 327.388 2.967 10 5 EEBERO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599552634 469291045 /nfs/dbraw/zinc/29/10/45/469291045.db2.gz GVEDYUIWGMTIFF-CABCVRRESA-N 1 0 347.440 2.454 10 5 EEBERO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608900019 469884962 /nfs/dbraw/zinc/88/49/62/469884962.db2.gz HVTSPXVBFKZJHT-UHFFFAOYSA-N 1 0 339.311 2.193 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000610242077 469991916 /nfs/dbraw/zinc/99/19/16/469991916.db2.gz ZWULMVQZZLXOCL-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO CNS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000610340900 470005813 /nfs/dbraw/zinc/00/58/13/470005813.db2.gz QFFOUZHKONIFNC-LBPRGKRZSA-N 1 0 349.412 2.354 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177159473 680075054 /nfs/dbraw/zinc/07/50/54/680075054.db2.gz KDTRKAZQCPEFSH-MRXNPFEDSA-N 1 0 344.419 2.227 10 5 EEBERO CCO[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN(C)C ZINC000926958588 693043669 /nfs/dbraw/zinc/04/36/69/693043669.db2.gz GWCNJMGHSJVANJ-IUODEOHRSA-N 1 0 327.400 2.221 10 5 EEBERO COCCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001266721660 1177288483 /nfs/dbraw/zinc/28/84/83/1177288483.db2.gz ZUTJYQQGEQFILU-GASCZTMLSA-N 1 0 349.431 2.394 10 5 EEBERO Cc1nc[nH]c1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001481198922 1180079669 /nfs/dbraw/zinc/07/96/69/1180079669.db2.gz NRVKBXMMWPIWRT-UHFFFAOYSA-N 1 0 343.387 2.021 10 5 EEBERO Cc1ncc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001481214169 1180279495 /nfs/dbraw/zinc/27/94/95/1180279495.db2.gz POLYLGNMJBMUEZ-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO CCc1cncc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001481257647 1180491255 /nfs/dbraw/zinc/49/12/55/1180491255.db2.gz LUWAYMATXZHMFM-UHFFFAOYSA-N 1 0 342.399 2.414 10 5 EEBERO CCc1nc[nH]c1C(=O)N(CC)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001268494677 1182995442 /nfs/dbraw/zinc/99/54/42/1182995442.db2.gz OWBPZBITGLAFTN-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO Cc1nc(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC001268610140 1183519207 /nfs/dbraw/zinc/51/92/07/1183519207.db2.gz XQBPWKTVYDQRAH-AATRIKPKSA-N 1 0 344.371 2.275 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC001691522919 1185987938 /nfs/dbraw/zinc/98/79/38/1185987938.db2.gz SQIUCXUOQXPYHC-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccoc1 ZINC001482919110 1187835832 /nfs/dbraw/zinc/83/58/32/1187835832.db2.gz CIGLUZMMXSHLOJ-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO CCc1nc(C)c(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001691542512 1187974106 /nfs/dbraw/zinc/97/41/06/1187974106.db2.gz KGTYKGSWVBLLAU-UHFFFAOYSA-N 1 0 346.387 2.315 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(F)F)CC1 ZINC001483009078 1187991627 /nfs/dbraw/zinc/99/16/27/1187991627.db2.gz CFOSCQVAOAOIQD-ARJAWSKDSA-N 1 0 339.342 2.402 10 5 EEBERO CCCc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cc1 ZINC001273084341 1194375220 /nfs/dbraw/zinc/37/52/20/1194375220.db2.gz KMVROHUKQAWCPX-IAGOWNOFSA-N 1 0 345.443 2.433 10 5 EEBERO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062333 1198037329 /nfs/dbraw/zinc/03/73/29/1198037329.db2.gz GOTPRSZLMHDWJX-NJZAAPMLSA-N 1 0 342.367 2.205 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1CS(=O)(=O)C1 ZINC000872064124 1198037677 /nfs/dbraw/zinc/03/76/77/1198037677.db2.gz CFMQLONJWSBJFZ-SNVBAGLBSA-N 1 0 344.458 2.402 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CCCS1 ZINC000872224070 1198097256 /nfs/dbraw/zinc/09/72/56/1198097256.db2.gz UIUBNFLUPFLZDL-OLZOCXBDSA-N 1 0 326.418 2.210 10 5 EEBERO CN(C)c1cc[nH+]c(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC001133800549 1199074293 /nfs/dbraw/zinc/07/42/93/1199074293.db2.gz QBKBLQWJQPQKNR-UHFFFAOYSA-N 1 0 343.387 2.174 10 5 EEBERO O=C(OCCN1CCSCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127503722 1200852230 /nfs/dbraw/zinc/85/22/30/1200852230.db2.gz NHZCSRPPTFDNEF-UHFFFAOYSA-N 1 0 330.793 2.454 10 5 EEBERO CC(C)(O)CN1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000866415252 1201512510 /nfs/dbraw/zinc/51/25/10/1201512510.db2.gz YRPDPYYPXOTBMJ-DLBZAZTESA-N 1 0 347.459 2.351 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000868396791 1201805622 /nfs/dbraw/zinc/80/56/22/1201805622.db2.gz NWALNIKCBWRQTK-IUODEOHRSA-N 1 0 332.404 2.185 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000868410825 1201807849 /nfs/dbraw/zinc/80/78/49/1201807849.db2.gz JYVAYJXWYGSSGN-UHFFFAOYSA-N 1 0 335.379 2.221 10 5 EEBERO Cc1cc(NC(=O)NCCCCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000926086063 1206189579 /nfs/dbraw/zinc/18/95/79/1206189579.db2.gz FYZKUDJINIOFFJ-UHFFFAOYSA-N 1 0 349.435 2.100 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000928434564 1206382840 /nfs/dbraw/zinc/38/28/40/1206382840.db2.gz JCHVBALVUYSMMQ-DOMZBBRYSA-N 1 0 340.383 2.479 10 5 EEBERO C[NH+](C)CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccnc1 ZINC000928835957 1206425932 /nfs/dbraw/zinc/42/59/32/1206425932.db2.gz LCBXKHQSDDHTNY-ZDUSSCGKSA-N 1 0 334.401 2.474 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)C3(O)CCCC3)C2)cc1 ZINC000930641230 1206572485 /nfs/dbraw/zinc/57/24/85/1206572485.db2.gz WQGCQYVLFDCOON-WBVHZDCISA-N 1 0 334.416 2.440 10 5 EEBERO COc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1[N+](=O)[O-] ZINC000900299798 1234178016 /nfs/dbraw/zinc/17/80/16/1234178016.db2.gz KGOUYXLFFAIGLW-UONOGXRCSA-N 1 0 333.388 2.237 10 5 EEBERO CO[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000903314086 1240231154 /nfs/dbraw/zinc/23/11/54/1240231154.db2.gz GMHDZRWNVCSDLS-IPYPFGDCSA-N 1 0 340.449 2.387 10 5 EEBERO COc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000903535973 1240837276 /nfs/dbraw/zinc/83/72/76/1240837276.db2.gz URMFHDZJZRFZKT-MNOVXSKESA-N 1 0 333.310 2.315 10 5 EEBERO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850498252 1277250029 /nfs/dbraw/zinc/25/00/29/1277250029.db2.gz YYDPSYNYUUIOTQ-PJLCYMMNSA-N 1 0 339.339 2.139 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766180 1293911459 /nfs/dbraw/zinc/91/14/59/1293911459.db2.gz NJGLMJREACIPHC-GFCCVEGCSA-N 1 0 331.319 2.056 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000798268049 1304966355 /nfs/dbraw/zinc/96/63/55/1304966355.db2.gz NVOKXTWQOAVOEP-LBPRGKRZSA-N 1 0 343.811 2.071 10 5 EEBERO CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC001123354830 1310535725 /nfs/dbraw/zinc/53/57/25/1310535725.db2.gz FQWOBLZVJUCJDI-KRWDZBQOSA-N 1 0 349.431 2.429 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000842777160 1315771973 /nfs/dbraw/zinc/77/19/73/1315771973.db2.gz ASSLUTZTRHHSQI-VHSXEESVSA-N 1 0 347.824 2.105 10 5 EEBERO Cn1ccc(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001265824666 1323403654 /nfs/dbraw/zinc/40/36/54/1323403654.db2.gz BDIDUEWGLFGDBI-UHFFFAOYSA-N 1 0 330.388 2.185 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC001299821511 1330168210 /nfs/dbraw/zinc/16/82/10/1330168210.db2.gz KCXOUGGUCPCHKL-CVEARBPZSA-N 1 0 344.415 2.394 10 5 EEBERO C[NH+](C)CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC001303475218 1331355573 /nfs/dbraw/zinc/35/55/73/1331355573.db2.gz AIJHKQSCAXVEMA-XOKHGSTOSA-N 1 0 331.416 2.499 10 5 EEBERO Cc1[nH]ccc1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001321012877 1332997585 /nfs/dbraw/zinc/99/75/85/1332997585.db2.gz LHRUSIRZNRHGAU-SNAWJCMRSA-N 1 0 328.372 2.307 10 5 EEBERO O=C(CC1CC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001324983409 1333802436 /nfs/dbraw/zinc/80/24/36/1333802436.db2.gz LYUHIGVCKVSCBK-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO C[NH+]1CCN(C(C)(C)CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001326000419 1334013120 /nfs/dbraw/zinc/01/31/20/1334013120.db2.gz ZLCVQRSRXYYUTJ-UHFFFAOYSA-N 1 0 347.463 2.307 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001332210813 1335767719 /nfs/dbraw/zinc/76/77/19/1335767719.db2.gz VLHLRCZWPHHNJB-UHFFFAOYSA-N 1 0 331.416 2.472 10 5 EEBERO Cc1cncn1CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001611532980 1352302241 /nfs/dbraw/zinc/30/22/41/1352302241.db2.gz GLDOHALLAOXHDH-UHFFFAOYSA-N 1 0 326.316 2.129 10 5 EEBERO O=[N+]([O-])CC[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001618266721 1352348704 /nfs/dbraw/zinc/34/87/04/1352348704.db2.gz YLENLJMRNPVRCK-GXTWGEPZSA-N 1 0 343.221 2.471 10 5 EEBERO CC(C)OCC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001566606689 1342577495 /nfs/dbraw/zinc/57/74/95/1342577495.db2.gz QWKJUHUYQRREKE-UHFFFAOYSA-N 1 0 349.431 2.443 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cncc(F)c1 ZINC001569394658 1342864083 /nfs/dbraw/zinc/86/40/83/1342864083.db2.gz NPDLBIADLDMIDY-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO Cc1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594215505 1349875091 /nfs/dbraw/zinc/87/50/91/1349875091.db2.gz WNGOYYOFYKXYTE-UONOGXRCSA-N 1 0 348.359 2.120 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1(C)C ZINC001627284284 1352490371 /nfs/dbraw/zinc/49/03/71/1352490371.db2.gz FQVQFERIRLMGSW-NEPJUHHUSA-N 1 0 340.811 2.289 10 5 EEBERO C[NH+](C)CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001637880880 1352681745 /nfs/dbraw/zinc/68/17/45/1352681745.db2.gz YZERKCWVVINISG-XOKHGSTOSA-N 1 0 331.416 2.499 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2F)n1 ZINC001637937161 1352682671 /nfs/dbraw/zinc/68/26/71/1352682671.db2.gz DNMKYDXQLWJQTQ-UHFFFAOYSA-N 1 0 335.339 2.264 10 5 EEBERO Cn1cnnc1CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001644582672 1352763687 /nfs/dbraw/zinc/76/36/87/1352763687.db2.gz SETJULSSYBGJEA-UHFFFAOYSA-N 1 0 345.403 2.057 10 5 EEBERO Cn1cc([N+](=O)[O-])c(NCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC001651219076 1354045131 /nfs/dbraw/zinc/04/51/31/1354045131.db2.gz JQYGAARIDWKBLC-UHFFFAOYSA-N 1 0 330.392 2.047 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001655102280 1354164922 /nfs/dbraw/zinc/16/49/22/1354164922.db2.gz RRVHZBPAOGGSFB-CJNGLKHVSA-N 1 0 336.388 2.026 10 5 EEBERO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccnn1C ZINC001655380865 1354171463 /nfs/dbraw/zinc/17/14/63/1354171463.db2.gz HHTPJMDSMZWHCC-JTQLQIEISA-N 1 0 335.339 2.147 10 5 EEBERO CC[C@H]([NH2+]C[C@H](O)CN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001658034414 1354352199 /nfs/dbraw/zinc/35/21/99/1354352199.db2.gz CICWSKMAOIHYOW-KBPBESRZSA-N 1 0 349.353 2.491 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccncc1 ZINC001667529256 1355754584 /nfs/dbraw/zinc/75/45/84/1355754584.db2.gz NCUCXFIRTQHJPX-UHFFFAOYSA-N 1 0 328.372 2.194 10 5 EEBERO C[C@H](CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1[N+](=O)[O-] ZINC001685531372 1358334338 /nfs/dbraw/zinc/33/43/38/1358334338.db2.gz CIIZBALGEVPHDA-LBTNJELSSA-N 1 0 346.431 2.291 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000823979946 788006164 /nfs/dbraw/zinc/00/61/64/788006164.db2.gz FFYVOAXHYYVQEB-BXUZGUMPSA-N 1 0 335.408 2.371 10 5 EEBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912928525 788486357 /nfs/dbraw/zinc/48/63/57/788486357.db2.gz MMGFYOUWOQQKDR-HNNXBMFYSA-N 1 0 344.415 2.115 10 5 EEBERO CNc1c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000913280712 788743367 /nfs/dbraw/zinc/74/33/67/788743367.db2.gz FVLIROGBZICLON-IAGOWNOFSA-N 1 0 332.404 2.050 10 5 EEBERO C[NH+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@]2(C)C1 ZINC000913288443 788764251 /nfs/dbraw/zinc/76/42/51/788764251.db2.gz ORQSFTDPHQRADO-ROUUACIJSA-N 1 0 342.399 2.490 10 5 EEBERO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2c[nH]nc21 ZINC001175210558 798033085 /nfs/dbraw/zinc/03/30/85/798033085.db2.gz BVHNPVWUMLDHPX-NSHDSACASA-N 1 0 329.360 2.266 10 5 EEBERO CCC(O)(CC)C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001175569699 798164187 /nfs/dbraw/zinc/16/41/87/798164187.db2.gz RBJSQFUTOVEHHK-CYBMUJFWSA-N 1 0 340.420 2.254 10 5 EEBERO O=C1C[C@@H](CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CN1 ZINC000922782292 801870781 /nfs/dbraw/zinc/87/07/81/801870781.db2.gz RLZGAZUKAAMQMP-GFCCVEGCSA-N 1 0 329.356 2.471 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790565872 808804298 /nfs/dbraw/zinc/80/42/98/808804298.db2.gz VIWODRJDBWETIC-SNVBAGLBSA-N 1 0 329.759 2.140 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)cc1C ZINC001566550279 1125721450 /nfs/dbraw/zinc/72/14/50/1125721450.db2.gz GKZZNVBYCATZBG-IAGOWNOFSA-N 1 0 333.432 2.297 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccoc1 ZINC001496690442 1101288424 /nfs/dbraw/zinc/28/84/24/1101288424.db2.gz IBBNRCPNEPHRGJ-UHFFFAOYSA-N 1 0 331.372 2.321 10 5 EEBERO CNc1c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC001454183334 1106838700 /nfs/dbraw/zinc/83/87/00/1106838700.db2.gz YUEHQXXLRPXNII-UONOGXRCSA-N 1 0 332.404 2.239 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001498511009 1107655776 /nfs/dbraw/zinc/65/57/76/1107655776.db2.gz JKHRNYRBBWNKQE-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)c(C)c1 ZINC001493291290 1107864298 /nfs/dbraw/zinc/86/42/98/1107864298.db2.gz OTWADLSQQIDWEU-IAGOWNOFSA-N 1 0 333.432 2.297 10 5 EEBERO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)Cc2c[nH]nc21 ZINC001460602162 1110319136 /nfs/dbraw/zinc/31/91/36/1110319136.db2.gz FROMHKDUAWMORO-SNVBAGLBSA-N 1 0 347.350 2.405 10 5 EEBERO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3ncccn3)CC2)cc1 ZINC001460804820 1110324822 /nfs/dbraw/zinc/32/48/22/1110324822.db2.gz CFYPSJGPTXZUJQ-INIZCTEOSA-N 1 0 328.372 2.298 10 5 EEBERO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC001466730731 1110442241 /nfs/dbraw/zinc/44/22/41/1110442241.db2.gz QYMCRMIWJAUCCW-UHFFFAOYSA-N 1 0 341.383 2.131 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1C[NH+]2CCC1CC2 ZINC001472900788 1110565594 /nfs/dbraw/zinc/56/55/94/1110565594.db2.gz YKUWMLMTCJDZHY-VIFPVBQESA-N 1 0 333.314 2.101 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001521752076 1119274301 /nfs/dbraw/zinc/27/43/01/1119274301.db2.gz CUWKSJBBUWOXPK-UHFFFAOYSA-N 1 0 346.431 2.267 10 5 EEBERO COc1ccc(C(=O)NCc2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC001524860797 1120234969 /nfs/dbraw/zinc/23/49/69/1120234969.db2.gz GNKAYMNXCKEAEO-UHFFFAOYSA-N 1 0 326.312 2.181 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001529267897 1121383597 /nfs/dbraw/zinc/38/35/97/1121383597.db2.gz JSCZJZFGSWYJCX-QEJZJMRPSA-N 1 0 344.415 2.239 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)Cc1ccccc1 ZINC001539242826 1124050536 /nfs/dbraw/zinc/05/05/36/1124050536.db2.gz ACORQVYHPNAZAE-HNNXBMFYSA-N 1 0 342.399 2.080 10 5 EEBERO CCc1oncc1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568926428 1124955326 /nfs/dbraw/zinc/95/53/26/1124955326.db2.gz BWNPELFJIUTWSN-AATRIKPKSA-N 1 0 344.371 2.221 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069843414 203055703 /nfs/dbraw/zinc/05/57/03/203055703.db2.gz DZJNXNLGSQQXCB-IUODEOHRSA-N 1 0 344.415 2.478 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000107894114 204249572 /nfs/dbraw/zinc/24/95/72/204249572.db2.gz OKMVQEUACBQQGO-CQSZACIVSA-N 1 0 346.431 2.267 10 5 EEBERO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000045625154 204328219 /nfs/dbraw/zinc/32/82/19/204328219.db2.gz OBIRPLLQWHKZAZ-UHFFFAOYSA-N 1 0 344.209 2.429 10 5 EEBERO CC(C)c1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000266430545 248297584 /nfs/dbraw/zinc/29/75/84/248297584.db2.gz KQPWPYYMFKQCLY-QGZVFWFLSA-N 1 0 332.404 2.408 10 5 EEBERO COCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000174735287 207051470 /nfs/dbraw/zinc/05/14/70/207051470.db2.gz RGIRUMGZDYXKNO-LLVKDONJSA-N 1 0 345.346 2.353 10 5 EEBERO Cc1c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000176892236 207270790 /nfs/dbraw/zinc/27/07/90/207270790.db2.gz PXNYRLSLNUTCHL-CYBMUJFWSA-N 1 0 349.431 2.068 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000273004587 256256100 /nfs/dbraw/zinc/25/61/00/256256100.db2.gz AGGVFKVXFBKUHC-KBPBESRZSA-N 1 0 335.404 2.049 10 5 EEBERO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC2(CCCC2)O1 ZINC000190961664 152232000 /nfs/dbraw/zinc/23/20/00/152232000.db2.gz WAGAYBVLDPIKGZ-UHFFFAOYSA-N 1 0 335.404 2.180 10 5 EEBERO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000124457574 292289520 /nfs/dbraw/zinc/28/95/20/292289520.db2.gz RQYUCSNFQCJNCD-UHFFFAOYSA-N 1 0 347.462 2.151 10 5 EEBERO CC[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000105828023 159307260 /nfs/dbraw/zinc/30/72/60/159307260.db2.gz BZSTXRMCXZVTBG-OLZOCXBDSA-N 1 0 325.384 2.011 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000247425322 160324402 /nfs/dbraw/zinc/32/44/02/160324402.db2.gz OHFNWLPDXQUATK-SWLSCSKDSA-N 1 0 335.404 2.406 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+](C)C2CCCCC2)n1 ZINC000341794900 161014100 /nfs/dbraw/zinc/01/41/00/161014100.db2.gz DQQFLPBODDJQFG-UHFFFAOYSA-N 1 0 336.392 2.453 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355269413 163129309 /nfs/dbraw/zinc/12/93/09/163129309.db2.gz CILWWWAWAIATMS-OAHLLOKOSA-N 1 0 342.399 2.280 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375327420 167113015 /nfs/dbraw/zinc/11/30/15/167113015.db2.gz JAWMDEZNQYOKHW-MRXNPFEDSA-N 1 0 333.388 2.343 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000245856437 292594396 /nfs/dbraw/zinc/59/43/96/292594396.db2.gz HMGZPLJAOCNNBV-CWRNSKLLSA-N 1 0 338.404 2.110 10 5 EEBERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000291657768 275327086 /nfs/dbraw/zinc/32/70/86/275327086.db2.gz DSBZOUZSHQLJLR-UKRRQHHQSA-N 1 0 326.418 2.349 10 5 EEBERO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000093899796 277239761 /nfs/dbraw/zinc/23/97/61/277239761.db2.gz PCZSGWVQQALESC-VIFPVBQESA-N 1 0 344.209 2.171 10 5 EEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293105126 293126608 /nfs/dbraw/zinc/12/66/08/293126608.db2.gz YCIDBTTWNIRROE-BLLLJJGKSA-N 1 0 331.376 2.077 10 5 EEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293105130 293126974 /nfs/dbraw/zinc/12/69/74/293126974.db2.gz YCIDBTTWNIRROE-LRDDRELGSA-N 1 0 331.376 2.077 10 5 EEBERO C[C@H]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)[C@H]1[NH3+] ZINC000297297693 294205108 /nfs/dbraw/zinc/20/51/08/294205108.db2.gz DQBSAIZQUJDBSI-DINDLPBHSA-N 1 0 330.388 2.203 10 5 EEBERO C[NH2+]CCN(C)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699544 313168550 /nfs/dbraw/zinc/16/85/50/313168550.db2.gz JJBYGBMMMYZOSR-UHFFFAOYSA-N 1 0 331.170 2.040 10 5 EEBERO C[C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415702874 313168812 /nfs/dbraw/zinc/16/88/12/313168812.db2.gz QDSWFBKCPKMQSB-MRVPVSSYSA-N 1 0 343.181 2.183 10 5 EEBERO C[N@@H+](Cc1cc(Cl)ccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444702420 315318180 /nfs/dbraw/zinc/31/81/80/315318180.db2.gz IKLZKVQYPGCFBV-ZDUSSCGKSA-N 1 0 342.758 2.077 10 5 EEBERO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCO1 ZINC000541773322 318108955 /nfs/dbraw/zinc/10/89/55/318108955.db2.gz WHVDYJACCKCJLC-INIZCTEOSA-N 1 0 336.388 2.447 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000579852397 323944860 /nfs/dbraw/zinc/94/48/60/323944860.db2.gz LNRHEPUFHQSXTH-HNNXBMFYSA-N 1 0 338.429 2.387 10 5 EEBERO COc1cc(C[NH2+]CCc2cnc(C3CC3)nc2)c([N+](=O)[O-])cc1O ZINC000339502720 465308814 /nfs/dbraw/zinc/30/88/14/465308814.db2.gz RZTCNTXGPHNKDN-UHFFFAOYSA-N 1 0 344.371 2.309 10 5 EEBERO C[NH+](C)C1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000127835562 462587152 /nfs/dbraw/zinc/58/71/52/462587152.db2.gz JGPXMVXVYFCWCC-UHFFFAOYSA-N 1 0 340.811 2.213 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153616981 462670482 /nfs/dbraw/zinc/67/04/82/462670482.db2.gz JZJGRQUYPDPYAV-GUYCJALGSA-N 1 0 344.415 2.387 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046379890 462675227 /nfs/dbraw/zinc/67/52/27/462675227.db2.gz DRLCRMSBCJFWHE-UHFFFAOYSA-N 1 0 328.372 2.290 10 5 EEBERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075752378 462755937 /nfs/dbraw/zinc/75/59/37/462755937.db2.gz GOIFKNGBXDILDU-YOEHRIQHSA-N 1 0 332.404 2.024 10 5 EEBERO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCSCC1 ZINC000089980805 462760522 /nfs/dbraw/zinc/76/05/22/462760522.db2.gz CENHVTUSQZKPRZ-UHFFFAOYSA-N 1 0 337.401 2.332 10 5 EEBERO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074210 462952708 /nfs/dbraw/zinc/95/27/08/462952708.db2.gz BPKBJRQAHZDXIZ-UHFFFAOYSA-N 1 0 331.416 2.472 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NCCC[NH+]2CCC(O)CC2)c1 ZINC000092620543 462965889 /nfs/dbraw/zinc/96/58/89/462965889.db2.gz JGNRQRUWQJYYAS-UHFFFAOYSA-N 1 0 327.356 2.001 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159107414 463268270 /nfs/dbraw/zinc/26/82/70/463268270.db2.gz KYEJYFZKOWQLKJ-VIFPVBQESA-N 1 0 342.193 2.133 10 5 EEBERO CCn1nc(C)c([N+](=O)[O-])c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000097113433 463328786 /nfs/dbraw/zinc/32/87/86/463328786.db2.gz STNSUCUACJGHJU-UHFFFAOYSA-N 1 0 337.424 2.159 10 5 EEBERO O=[N+]([O-])c1ccccc1OCCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261711277 463834721 /nfs/dbraw/zinc/83/47/21/463834721.db2.gz KLUOBHYPUXECRK-MRXNPFEDSA-N 1 0 328.372 2.015 10 5 EEBERO [NH3+]CCN(CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1 ZINC000261843848 463876862 /nfs/dbraw/zinc/87/68/62/463876862.db2.gz WYUOTIYLWACXRM-UHFFFAOYSA-N 1 0 329.400 2.477 10 5 EEBERO CC[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000245841527 464517030 /nfs/dbraw/zinc/51/70/30/464517030.db2.gz CPJUSTQJPJBHEW-ZACQAIPSSA-N 1 0 338.404 2.192 10 5 EEBERO C[NH+](C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccccc1 ZINC000175804485 464629922 /nfs/dbraw/zinc/62/99/22/464629922.db2.gz PKQBHNOFURTCRU-AWEZNQCLSA-N 1 0 328.372 2.210 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000286208362 464839706 /nfs/dbraw/zinc/83/97/06/464839706.db2.gz MQNSTFWDBQOFHE-GXTWGEPZSA-N 1 0 348.403 2.005 10 5 EEBERO C[C@]12CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298196660 465329488 /nfs/dbraw/zinc/32/94/88/465329488.db2.gz BZINLTOPGUJNEQ-GLQYFDAESA-N 1 0 342.342 2.312 10 5 EEBERO [NH3+]CC1(CCNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000593915439 468431293 /nfs/dbraw/zinc/43/12/93/468431293.db2.gz YJDPQRYCZHKFDA-UHFFFAOYSA-N 1 0 331.294 2.472 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593919201 468433229 /nfs/dbraw/zinc/43/32/29/468433229.db2.gz NWNYLFLWJAKKHL-KBRIMQKVSA-N 1 0 347.415 2.404 10 5 EEBERO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593919260 468434035 /nfs/dbraw/zinc/43/40/35/468434035.db2.gz POCYBBHYZSTVGK-BFYDXBDKSA-N 1 0 347.415 2.404 10 5 EEBERO Cc1cc(N2CCC[N@H+](CCO)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359907586 465505945 /nfs/dbraw/zinc/50/59/45/465505945.db2.gz GIBCLYXJIJDBNF-UHFFFAOYSA-N 1 0 347.337 2.426 10 5 EEBERO C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000337780142 465575772 /nfs/dbraw/zinc/57/57/72/465575772.db2.gz AOSYTAGFLKIVEG-ZDUSSCGKSA-N 1 0 338.371 2.464 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C2CC2)CC1 ZINC000299325776 465700060 /nfs/dbraw/zinc/70/00/60/465700060.db2.gz JOWORGKSZIQAHN-UHFFFAOYSA-N 1 0 332.404 2.012 10 5 EEBERO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000361062792 465740519 /nfs/dbraw/zinc/74/05/19/465740519.db2.gz NBJZSOHNOQGMEQ-CYBMUJFWSA-N 1 0 327.388 2.444 10 5 EEBERO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000357069740 465742959 /nfs/dbraw/zinc/74/29/59/465742959.db2.gz SPFQYJXIMCLXIC-UHFFFAOYSA-N 1 0 346.322 2.246 10 5 EEBERO COc1cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000353330540 465803729 /nfs/dbraw/zinc/80/37/29/465803729.db2.gz QDEWWQBCCUSENK-CQSZACIVSA-N 1 0 335.404 2.281 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N3CCCC[C@@H]([NH+]4CCCC4)C3)nn21 ZINC000301960336 466069083 /nfs/dbraw/zinc/06/90/83/466069083.db2.gz HNSGHEWNJUTWIC-CYBMUJFWSA-N 1 0 330.392 2.092 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(N[C@@H]3CC[N@H+](CC4CCCC4)C3)nn21 ZINC000301965973 466070294 /nfs/dbraw/zinc/07/02/94/466070294.db2.gz KIYGMIREOFXAIT-CYBMUJFWSA-N 1 0 330.392 2.314 10 5 EEBERO CSC1(CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC[NH+](C)CC1 ZINC000357579167 466151115 /nfs/dbraw/zinc/15/11/15/466151115.db2.gz IMVROFQSFKPXQT-UHFFFAOYSA-N 1 0 335.433 2.132 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228278 468502357 /nfs/dbraw/zinc/50/23/57/468502357.db2.gz INWFXBKBQYCXSJ-OAHLLOKOSA-N 1 0 349.435 2.013 10 5 EEBERO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423965393 466930562 /nfs/dbraw/zinc/93/05/62/466930562.db2.gz GDLRRQYXKGXCBO-GJZGRUSLSA-N 1 0 346.431 2.022 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000427525691 467162834 /nfs/dbraw/zinc/16/28/34/467162834.db2.gz TZTOZYQQQNUDLI-CYBMUJFWSA-N 1 0 337.424 2.196 10 5 EEBERO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000378238012 467238343 /nfs/dbraw/zinc/23/83/43/467238343.db2.gz RTMRTYGIANKNCP-ZIAGYGMSSA-N 1 0 333.388 2.208 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000433826008 467356967 /nfs/dbraw/zinc/35/69/67/467356967.db2.gz KDBUACNXUMXPQY-UHFFFAOYSA-N 1 0 337.424 2.436 10 5 EEBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(CO)OC ZINC000594510815 468612337 /nfs/dbraw/zinc/61/23/37/468612337.db2.gz LGTZLGOIKMPGGX-IUODEOHRSA-N 1 0 328.434 2.453 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000600745229 468646166 /nfs/dbraw/zinc/64/61/66/468646166.db2.gz DTEHWBSTRSAJPC-XWIAVFTESA-N 1 0 346.431 2.162 10 5 EEBERO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000570617729 468665588 /nfs/dbraw/zinc/66/55/88/468665588.db2.gz NSPLNIYDAHQYPW-GUYCJALGSA-N 1 0 332.404 2.441 10 5 EEBERO COc1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592426097 468696033 /nfs/dbraw/zinc/69/60/33/468696033.db2.gz JDJBSXNDFYQPAV-AWEZNQCLSA-N 1 0 334.376 2.400 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000597859262 468696198 /nfs/dbraw/zinc/69/61/98/468696198.db2.gz SLAPKBCPDMTYDQ-ZDUSSCGKSA-N 1 0 334.420 2.386 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000592522699 468719870 /nfs/dbraw/zinc/71/98/70/468719870.db2.gz FIFANBAWNCHENX-LTBFUDJGSA-N 1 0 346.431 2.050 10 5 EEBERO CCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597947604 468722064 /nfs/dbraw/zinc/72/20/64/468722064.db2.gz ZTYJUTAFCZSHDA-CQSZACIVSA-N 1 0 332.404 2.335 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592569937 468731941 /nfs/dbraw/zinc/73/19/41/468731941.db2.gz HTTKHXPCOHGMPC-OAHLLOKOSA-N 1 0 333.388 2.155 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000601108642 468743656 /nfs/dbraw/zinc/74/36/56/468743656.db2.gz LTKMZUJSRSMPQL-UHFFFAOYSA-N 1 0 338.383 2.068 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000595226583 468788957 /nfs/dbraw/zinc/78/89/57/468788957.db2.gz VBSVPDKUJCDJHO-HUUCEWRRSA-N 1 0 346.362 2.029 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cccc3ccccc32)c1 ZINC000571724468 468828203 /nfs/dbraw/zinc/82/82/03/468828203.db2.gz GYUNNBBKIAGORH-QGZVFWFLSA-N 1 0 340.383 2.138 10 5 EEBERO Cc1c(NC(=O)CCN2CCC[C@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601333316 468829976 /nfs/dbraw/zinc/82/99/76/468829976.db2.gz CDCGOWHUIWISMH-WMLDXEAASA-N 1 0 346.431 2.306 10 5 EEBERO COc1ccc(OCC[NH+]2CCC(C3(O)CC3)CC2)c([N+](=O)[O-])c1 ZINC000593048728 468851411 /nfs/dbraw/zinc/85/14/11/468851411.db2.gz GKBSAVQTWSTTCT-UHFFFAOYSA-N 1 0 336.388 2.219 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000593464595 468991089 /nfs/dbraw/zinc/99/10/89/468991089.db2.gz IZMKWFGGPUBMNV-AWEZNQCLSA-N 1 0 342.399 2.302 10 5 EEBERO C[C@@]12COC[C@@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000595760296 468994568 /nfs/dbraw/zinc/99/45/68/468994568.db2.gz SWCRQIKIAWRQDN-BLLLJJGKSA-N 1 0 330.344 2.113 10 5 EEBERO COc1cc(CN2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])cc1OC(F)F ZINC000595907260 469076867 /nfs/dbraw/zinc/07/68/67/469076867.db2.gz AJQPDEVVDBSYDY-UHFFFAOYSA-N 1 0 343.330 2.128 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000587224549 469086582 /nfs/dbraw/zinc/08/65/82/469086582.db2.gz IMOMUZHQZXAYRS-LBPRGKRZSA-N 1 0 347.419 2.072 10 5 EEBERO [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C1 ZINC000593726631 469111809 /nfs/dbraw/zinc/11/18/09/469111809.db2.gz QLVNPISQURFHRC-YOEHRIQHSA-N 1 0 335.404 2.019 10 5 EEBERO COC(=O)c1c(Cl)c(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596262516 469225708 /nfs/dbraw/zinc/22/57/08/469225708.db2.gz DXCWYBFEBZKNRA-JOYOIKCWSA-N 1 0 339.779 2.175 10 5 EEBERO Cc1cc(N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596464164 469275420 /nfs/dbraw/zinc/27/54/20/469275420.db2.gz GZXCETKOEDLBLX-VXGBXAGGSA-N 1 0 349.412 2.251 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000611616532 469293443 /nfs/dbraw/zinc/29/34/43/469293443.db2.gz WTWOXMKHTHBKNT-CQSZACIVSA-N 1 0 336.436 2.136 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000608900526 469884926 /nfs/dbraw/zinc/88/49/26/469884926.db2.gz NNJSIXDHKQZVRJ-UHFFFAOYSA-N 1 0 339.311 2.436 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000769900668 577586770 /nfs/dbraw/zinc/58/67/70/577586770.db2.gz QMTIRAVVDJBAAP-YUTCNCBUSA-N 1 0 348.321 2.263 10 5 EEBERO C[C@@H](NC(=S)NCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000760499914 577664215 /nfs/dbraw/zinc/66/42/15/577664215.db2.gz BUPWLRCSBIWKKE-GFCCVEGCSA-N 1 0 336.461 2.462 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261886643 682017799 /nfs/dbraw/zinc/01/77/99/682017799.db2.gz FZLBFOJJTAEUAW-IMJJTQAJSA-N 1 0 339.823 2.495 10 5 EEBERO CC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)OC ZINC000895119970 683972054 /nfs/dbraw/zinc/97/20/54/683972054.db2.gz JTASXYXMDAGZKA-VIFPVBQESA-N 1 0 332.303 2.485 10 5 EEBERO CC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)OC ZINC000895119967 683972263 /nfs/dbraw/zinc/97/22/63/683972263.db2.gz JTASXYXMDAGZKA-SECBINFHSA-N 1 0 332.303 2.485 10 5 EEBERO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521664 685012007 /nfs/dbraw/zinc/01/20/07/685012007.db2.gz DXZZNOKDWIXXSQ-OAHLLOKOSA-N 1 0 333.388 2.463 10 5 EEBERO C[C@H]1[C@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000925329399 692753547 /nfs/dbraw/zinc/75/35/47/692753547.db2.gz ANVVCLHXQXEKQH-SWLSCSKDSA-N 1 0 332.404 2.361 10 5 EEBERO CCCN(CCNC(=O)c1c[nH]nc1C)Cc1ccccc1[N+](=O)[O-] ZINC001266566376 1176857117 /nfs/dbraw/zinc/85/71/17/1176857117.db2.gz AKZDYUNVPUAHGQ-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO O=C(CCC(F)F)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001266605845 1176944854 /nfs/dbraw/zinc/94/48/54/1176944854.db2.gz SYBLCSUFAYVHGO-HAQNSBGRSA-N 1 0 327.331 2.377 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]CC2=CCCCC2)CC1 ZINC001481997910 1183105664 /nfs/dbraw/zinc/10/56/64/1183105664.db2.gz BUTAOMYDYBTXTI-IAGOWNOFSA-N 1 0 335.448 2.370 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccon1 ZINC001484734177 1191498507 /nfs/dbraw/zinc/49/85/07/1191498507.db2.gz BJIAHTNOMHAZGK-UHFFFAOYSA-N 1 0 332.360 2.177 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031978 1198031105 /nfs/dbraw/zinc/03/11/05/1198031105.db2.gz OQUJEWCYJJIQLA-CHWSQXEVSA-N 1 0 325.384 2.495 10 5 EEBERO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062337 1198037384 /nfs/dbraw/zinc/03/73/84/1198037384.db2.gz GOTPRSZLMHDWJX-UXIGCNINSA-N 1 0 342.367 2.205 10 5 EEBERO C[C@@](O)(C[C@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000872203077 1198084542 /nfs/dbraw/zinc/08/45/42/1198084542.db2.gz UVOOKXSHGIMOLZ-DZGCQCFKSA-N 1 0 328.796 2.250 10 5 EEBERO Cn1ncc2cc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)cnc21 ZINC000865456245 1198228228 /nfs/dbraw/zinc/22/82/28/1198228228.db2.gz UUMMTVSKHZZGQL-UHFFFAOYSA-N 1 0 327.344 2.045 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000865997232 1198449327 /nfs/dbraw/zinc/44/93/27/1198449327.db2.gz VPLWEDPFNZBYJS-VIFPVBQESA-N 1 0 348.325 2.266 10 5 EEBERO CC(C)[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000812293618 1200644360 /nfs/dbraw/zinc/64/43/60/1200644360.db2.gz VAERSZRPAWVEPI-HNNXBMFYSA-N 1 0 331.376 2.310 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000866382165 1201504122 /nfs/dbraw/zinc/50/41/22/1201504122.db2.gz USVKUTPIMWYWOQ-SJKOYZFVSA-N 1 0 340.395 2.432 10 5 EEBERO CCC[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866518576 1201538329 /nfs/dbraw/zinc/53/83/29/1201538329.db2.gz BTIPBWZBVAJZCS-NVXWUHKLSA-N 1 0 349.387 2.247 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777798567 1206487531 /nfs/dbraw/zinc/48/75/31/1206487531.db2.gz CHHZXIMDHUTQLE-SNVBAGLBSA-N 1 0 349.416 2.204 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312142 1206623691 /nfs/dbraw/zinc/62/36/91/1206623691.db2.gz VHOBDBRWJXYCPQ-ROUUACIJSA-N 1 0 346.431 2.115 10 5 EEBERO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900347912 1234247961 /nfs/dbraw/zinc/24/79/61/1234247961.db2.gz GYLMRPRBSSLAIB-SFHVURJKSA-N 1 0 349.431 2.179 10 5 EEBERO CO[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000903314085 1240231798 /nfs/dbraw/zinc/23/17/98/1240231798.db2.gz GMHDZRWNVCSDLS-GUTXKFCHSA-N 1 0 340.449 2.387 10 5 EEBERO Nc1ccnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000903950850 1242675249 /nfs/dbraw/zinc/67/52/49/1242675249.db2.gz RUYBJMDRXHITFR-UHFFFAOYSA-N 1 0 327.388 2.331 10 5 EEBERO Cc1ncoc1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001273495754 1278593246 /nfs/dbraw/zinc/59/32/46/1278593246.db2.gz JEMAUQLIGIOVAI-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CCOCC1 ZINC001273662150 1282638942 /nfs/dbraw/zinc/63/89/42/1282638942.db2.gz VMTNGYOVXNTEPE-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO COc1ccc(NC(=O)C[NH2+]C2([C@@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC001198083865 1284961265 /nfs/dbraw/zinc/96/12/65/1284961265.db2.gz DPRQHIDOHOWTPB-HNNXBMFYSA-N 1 0 349.387 2.233 10 5 EEBERO Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858040541 1293992286 /nfs/dbraw/zinc/99/22/86/1293992286.db2.gz FDPLQUOFDUHHHA-IAGOWNOFSA-N 1 0 343.383 2.485 10 5 EEBERO O=[N+]([O-])c1c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc2cnccc21 ZINC000858374497 1294099751 /nfs/dbraw/zinc/09/97/51/1294099751.db2.gz NWBZOAVPROFFLB-KBPBESRZSA-N 1 0 328.372 2.418 10 5 EEBERO COc1cc(Cc2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000863663411 1296371791 /nfs/dbraw/zinc/37/17/91/1296371791.db2.gz AONCCDPGDZGVGK-YGRLFVJLSA-N 1 0 336.323 2.197 10 5 EEBERO C[C@@H]1C[N@H+](CCCOC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001123025038 1310448263 /nfs/dbraw/zinc/44/82/63/1310448263.db2.gz WBODQNRFJSUHOT-XOKHGSTOSA-N 1 0 348.399 2.352 10 5 EEBERO C[NH+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)c1 ZINC001141395546 1315128848 /nfs/dbraw/zinc/12/88/48/1315128848.db2.gz JQEJDDWYDPJUJN-UHFFFAOYSA-N 1 0 328.372 2.169 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000843471623 1315920255 /nfs/dbraw/zinc/92/02/55/1315920255.db2.gz XAGPRSSRAIXYBM-PRHODGIISA-N 1 0 329.759 2.044 10 5 EEBERO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])c[nH]2)n1 ZINC001293343228 1328679985 /nfs/dbraw/zinc/67/99/85/1328679985.db2.gz YWYQXQJPFLUNCB-LBPRGKRZSA-N 1 0 329.360 2.343 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2C2CC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480286 1324246696 /nfs/dbraw/zinc/24/66/96/1324246696.db2.gz ISSICGYPQCDPIV-IAGOWNOFSA-N 1 0 343.427 2.358 10 5 EEBERO CN(CCC[N@H+](C)CCC1CCCCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280813926 1324537417 /nfs/dbraw/zinc/53/74/17/1324537417.db2.gz JGEXNBVOMGXVAC-HZPDHXFCSA-N 1 0 325.453 2.402 10 5 EEBERO Cc1c[nH]cc1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001321391234 1333092956 /nfs/dbraw/zinc/09/29/56/1333092956.db2.gz CCTOXBUUPKZOGG-NSCUHMNNSA-N 1 0 328.372 2.307 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCOCC2)c1C ZINC001334402698 1336249305 /nfs/dbraw/zinc/24/93/05/1336249305.db2.gz PRDOVQYVUKUMGN-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001346468076 1337485056 /nfs/dbraw/zinc/48/50/56/1337485056.db2.gz NXTVFBYURXYYEN-RAIGVLPGSA-N 1 0 334.376 2.065 10 5 EEBERO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(CCF)CC1 ZINC001566800442 1342631638 /nfs/dbraw/zinc/63/16/38/1342631638.db2.gz ZDFXVTAHXLJYRU-HDJSIYSDSA-N 1 0 335.379 2.471 10 5 EEBERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001626741585 1352471717 /nfs/dbraw/zinc/47/17/17/1352471717.db2.gz LZSGUGPHUVQSFW-VXGBXAGGSA-N 1 0 349.435 2.058 10 5 EEBERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001651304718 1354047936 /nfs/dbraw/zinc/04/79/36/1354047936.db2.gz NTBKHXQEHLJGLS-UONOGXRCSA-N 1 0 337.807 2.486 10 5 EEBERO CCOc1cc(C[NH2+][C@@](C)(COC)CC(=O)OC)ccc1[N+](=O)[O-] ZINC001653650081 1354129883 /nfs/dbraw/zinc/12/98/83/1354129883.db2.gz NDUWONMUGAZVOG-MRXNPFEDSA-N 1 0 340.376 2.051 10 5 EEBERO C[N@H+](CCNC(=O)CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663218925 1354937228 /nfs/dbraw/zinc/93/72/28/1354937228.db2.gz WFZHUQUPOGMRLN-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cc(C)no1 ZINC001668362137 1355929741 /nfs/dbraw/zinc/92/97/41/1355929741.db2.gz FOCHFOZIJWPCTA-UHFFFAOYSA-N 1 0 338.389 2.205 10 5 EEBERO C/C(=C\C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000908511340 785493781 /nfs/dbraw/zinc/49/37/81/785493781.db2.gz CBABXRPRANVWDL-CMPYXILNSA-N 1 0 333.388 2.051 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000824584002 788247288 /nfs/dbraw/zinc/24/72/88/788247288.db2.gz USGRBMSBCYOCGB-AWEZNQCLSA-N 1 0 327.812 2.185 10 5 EEBERO Cc1cc(OCC(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913279996 788740921 /nfs/dbraw/zinc/74/09/21/788740921.db2.gz ZEEJVCAOVAJKBB-ROUUACIJSA-N 1 0 347.415 2.082 10 5 EEBERO Cc1ccccc1[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785863343 806614857 /nfs/dbraw/zinc/61/48/57/806614857.db2.gz VYQJNIUWMYAHMV-MRXNPFEDSA-N 1 0 330.388 2.470 10 5 EEBERO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001176504261 798476951 /nfs/dbraw/zinc/47/69/51/798476951.db2.gz ARVKWGYAGTZISJ-OCCSQVGLSA-N 1 0 335.404 2.453 10 5 EEBERO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000712335773 803206603 /nfs/dbraw/zinc/20/66/03/803206603.db2.gz MHOFLMGWGKDRHZ-JTQLQIEISA-N 1 0 342.193 2.181 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000808057752 812428618 /nfs/dbraw/zinc/42/86/18/812428618.db2.gz CZEMZFNJWITULC-NSHDSACASA-N 1 0 326.353 2.008 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC001545988777 1101295858 /nfs/dbraw/zinc/29/58/58/1101295858.db2.gz SNQRMVBXSWDTOE-CQSZACIVSA-N 1 0 334.420 2.396 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC001464754956 1110402483 /nfs/dbraw/zinc/40/24/83/1110402483.db2.gz KXCWBLVHPLUXKF-AWEZNQCLSA-N 1 0 332.404 2.389 10 5 EEBERO COC(=O)C[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC001473731910 1110579343 /nfs/dbraw/zinc/57/93/43/1110579343.db2.gz JRZVLMDOKPLSOO-INIZCTEOSA-N 1 0 332.360 2.293 10 5 EEBERO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC001473732222 1110579347 /nfs/dbraw/zinc/57/93/47/1110579347.db2.gz POADMUFOTAEUOY-QGZVFWFLSA-N 1 0 349.387 2.163 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC(F)(F)F ZINC001568729878 1124744928 /nfs/dbraw/zinc/74/49/28/1124744928.db2.gz QPMYLXVTFIUPBJ-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO Cn1cc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cn1 ZINC000193981901 240387730 /nfs/dbraw/zinc/38/77/30/240387730.db2.gz QCQZARSIPKDRRB-NSHDSACASA-N 1 0 331.332 2.226 10 5 EEBERO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103492659 204080943 /nfs/dbraw/zinc/08/09/43/204080943.db2.gz YYHPNBWPWRZERE-HNNXBMFYSA-N 1 0 348.447 2.142 10 5 EEBERO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000042167487 204062981 /nfs/dbraw/zinc/06/29/81/204062981.db2.gz HHZZRNQSAJWKKP-QMMMGPOBSA-N 1 0 328.166 2.438 10 5 EEBERO CC[NH2+][C@](C)(COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440672 204607854 /nfs/dbraw/zinc/60/78/54/204607854.db2.gz UMEXTKYPHCURQT-GFCCVEGCSA-N 1 0 336.175 2.134 10 5 EEBERO C[NH2+]Cc1nccn1Cc1ccc([N+](=O)[O-])cc1Br ZINC000051004449 205086943 /nfs/dbraw/zinc/08/69/43/205086943.db2.gz MRLMBDBNFOMOBE-UHFFFAOYSA-N 1 0 325.166 2.322 10 5 EEBERO C[C@H]1C[C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC000177146428 207298372 /nfs/dbraw/zinc/29/83/72/207298372.db2.gz HYVDMAKQAZQCRZ-WDEREUQCSA-N 1 0 328.372 2.431 10 5 EEBERO C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CC[N@H+](C)CC1 ZINC000272850793 256243310 /nfs/dbraw/zinc/24/33/10/256243310.db2.gz HIPMWTUCDQRKCW-NSHDSACASA-N 1 0 328.372 2.456 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000110083780 159356858 /nfs/dbraw/zinc/35/68/58/159356858.db2.gz OCYHXSSTGSGYJP-CQSZACIVSA-N 1 0 336.392 2.136 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000342284423 161053773 /nfs/dbraw/zinc/05/37/73/161053773.db2.gz QXONUEHWGLNRTG-HNNXBMFYSA-N 1 0 331.372 2.254 10 5 EEBERO COc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352541530 162178938 /nfs/dbraw/zinc/17/89/38/162178938.db2.gz YXGMLUHOZLNEDV-MRXNPFEDSA-N 1 0 349.431 2.290 10 5 EEBERO CCOc1cc(N2CC[NH+](CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000280147965 269332808 /nfs/dbraw/zinc/33/28/08/269332808.db2.gz CWYOELWFHAZJOL-UHFFFAOYSA-N 1 0 337.420 2.278 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c(C(F)(F)F)c1 ZINC000171506998 275035977 /nfs/dbraw/zinc/03/59/77/275035977.db2.gz AJLUOVFDUYOGFS-UHFFFAOYSA-N 1 0 333.310 2.118 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000177028228 276169477 /nfs/dbraw/zinc/16/94/77/276169477.db2.gz ONCJBUXWLFWJKX-CQSZACIVSA-N 1 0 334.420 2.217 10 5 EEBERO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301850963 294902401 /nfs/dbraw/zinc/90/24/01/294902401.db2.gz PESWGUDFVSECKT-INIZCTEOSA-N 1 0 334.420 2.379 10 5 EEBERO CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415701345 313169164 /nfs/dbraw/zinc/16/91/64/313169164.db2.gz NZCVRZQIXUQTFU-LLVKDONJSA-N 1 0 345.197 2.462 10 5 EEBERO COc1ccc(OCC[N@@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420995265 314017992 /nfs/dbraw/zinc/01/79/92/314017992.db2.gz OLJYSRWDJVQBBC-CYBMUJFWSA-N 1 0 336.388 2.362 10 5 EEBERO Cc1c(CN(C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000567451688 319380149 /nfs/dbraw/zinc/38/01/49/319380149.db2.gz FTRZSNFKXYXAIN-LBPRGKRZSA-N 1 0 331.376 2.096 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000181827002 323357534 /nfs/dbraw/zinc/35/75/34/323357534.db2.gz HMGZPLJAOCNNBV-BPUTZDHNSA-N 1 0 338.404 2.110 10 5 EEBERO COc1cc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000581437358 324254335 /nfs/dbraw/zinc/25/43/35/324254335.db2.gz JKLZQJZHNRSIDO-CQSZACIVSA-N 1 0 349.431 2.289 10 5 EEBERO C[C@H](CC[NH3+])Nc1ccc(I)cc1[N+](=O)[O-] ZINC000336643518 465039452 /nfs/dbraw/zinc/03/94/52/465039452.db2.gz AYDJPTPDIMLJPL-SSDOTTSWSA-N 1 0 335.145 2.349 10 5 EEBERO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351645036 465270118 /nfs/dbraw/zinc/27/01/18/465270118.db2.gz ULMLBTNAJZHMOJ-CQSZACIVSA-N 1 0 343.387 2.102 10 5 EEBERO CN(C(=O)CSc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347906067 465300101 /nfs/dbraw/zinc/30/01/01/465300101.db2.gz ZTVZTHYGENBIGK-CYBMUJFWSA-N 1 0 335.429 2.382 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000113222634 462577723 /nfs/dbraw/zinc/57/77/23/462577723.db2.gz LJEDVBKSDQQXNW-ZIAGYGMSSA-N 1 0 333.388 2.059 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000113269206 462582605 /nfs/dbraw/zinc/58/26/05/462582605.db2.gz AYOMCBVWTGVRHT-IUODEOHRSA-N 1 0 343.387 2.313 10 5 EEBERO CNc1ccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000075108039 462676231 /nfs/dbraw/zinc/67/62/31/462676231.db2.gz QTVFILBNPGDPEB-UHFFFAOYSA-N 1 0 336.392 2.345 10 5 EEBERO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000123020565 463310015 /nfs/dbraw/zinc/31/00/15/463310015.db2.gz LDAXQUZCLAWVNL-KWQFWETISA-N 1 0 329.198 2.316 10 5 EEBERO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCOCC1 ZINC000123246252 463326536 /nfs/dbraw/zinc/32/65/36/463326536.db2.gz VMTYZGMQAICSJY-RHSMWYFYSA-N 1 0 333.432 2.226 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000058561954 463609161 /nfs/dbraw/zinc/60/91/61/463609161.db2.gz QHULWDBGALYIAV-ZDUSSCGKSA-N 1 0 341.433 2.056 10 5 EEBERO Cc1c([C@H](C)[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000164919122 463636827 /nfs/dbraw/zinc/63/68/27/463636827.db2.gz GSUNOOGNEQYNAP-WMLDXEAASA-N 1 0 349.431 2.437 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000170856462 463723093 /nfs/dbraw/zinc/72/30/93/463723093.db2.gz OROGESKUFNODSF-OAHLLOKOSA-N 1 0 349.434 2.317 10 5 EEBERO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000179165703 464072364 /nfs/dbraw/zinc/07/23/64/464072364.db2.gz YCNZEFULRATYAZ-OAHLLOKOSA-N 1 0 342.399 2.315 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263909919 464236007 /nfs/dbraw/zinc/23/60/07/464236007.db2.gz JVSAEJRZUJRCCI-AWEZNQCLSA-N 1 0 332.404 2.335 10 5 EEBERO C[C@@H](NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599909250 468411465 /nfs/dbraw/zinc/41/14/65/468411465.db2.gz VTMLJFGUKOZMKR-JLZZUVOBSA-N 1 0 332.404 2.297 10 5 EEBERO C[C@@H]1CC[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599918824 468413696 /nfs/dbraw/zinc/41/36/96/468413696.db2.gz QVHSBRZKVWBUST-MFKMUULPSA-N 1 0 340.811 2.230 10 5 EEBERO C[C@H]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[NH2+]1 ZINC000599934626 468417267 /nfs/dbraw/zinc/41/72/67/468417267.db2.gz RVWPECOUOQMCPT-JSGCOSHPSA-N 1 0 332.404 2.409 10 5 EEBERO COc1cc(OC)cc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000177409739 465008302 /nfs/dbraw/zinc/00/83/02/465008302.db2.gz WAMBFEHCSSXHQW-ZDUSSCGKSA-N 1 0 346.387 2.298 10 5 EEBERO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000351922855 465444740 /nfs/dbraw/zinc/44/47/40/465444740.db2.gz LFTQSFLCYZFCTP-CYBMUJFWSA-N 1 0 334.372 2.379 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593919428 468434718 /nfs/dbraw/zinc/43/47/18/468434718.db2.gz QSCFSMZNXBXSQU-XYPHTWIQSA-N 1 0 347.415 2.404 10 5 EEBERO C[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H](C)[N@H+]1C ZINC000597091945 468439683 /nfs/dbraw/zinc/43/96/83/468439683.db2.gz FURAGMZVLPKBAZ-DTORHVGOSA-N 1 0 341.799 2.387 10 5 EEBERO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597089898 468439957 /nfs/dbraw/zinc/43/99/57/468439957.db2.gz GCRMETLXUVYUEI-UHFFFAOYSA-N 1 0 329.788 2.292 10 5 EEBERO C[NH+](C)Cc1cc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)ccc1F ZINC000357068787 465742320 /nfs/dbraw/zinc/74/23/20/465742320.db2.gz RCGZCBRIAXHBME-UHFFFAOYSA-N 1 0 346.322 2.090 10 5 EEBERO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000350174520 466414243 /nfs/dbraw/zinc/41/42/43/466414243.db2.gz CBTZITSLPKJDAY-GFCCVEGCSA-N 1 0 326.418 2.460 10 5 EEBERO COc1cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000358069738 466429165 /nfs/dbraw/zinc/42/91/65/466429165.db2.gz ZGBAXBYXRDRNCH-UHFFFAOYSA-N 1 0 335.404 2.294 10 5 EEBERO CN(C(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409942 467399102 /nfs/dbraw/zinc/39/91/02/467399102.db2.gz XRNSVRHZMNAKBR-YOEHRIQHSA-N 1 0 346.431 2.022 10 5 EEBERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000408239476 467534003 /nfs/dbraw/zinc/53/40/03/467534003.db2.gz ZCZSRCOOBCRFRT-QWHCGFSZSA-N 1 0 341.433 2.006 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1 ZINC000449365175 467633871 /nfs/dbraw/zinc/63/38/71/467633871.db2.gz VESKBYZQXPMZDC-ZDUSSCGKSA-N 1 0 332.381 2.256 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000449433987 467644728 /nfs/dbraw/zinc/64/47/28/467644728.db2.gz OSSJYPCGMWDPQM-LKSXCXLBSA-N 1 0 332.400 2.470 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000589495919 468157157 /nfs/dbraw/zinc/15/71/57/468157157.db2.gz LQGJBMIJGYZGLQ-CYBMUJFWSA-N 1 0 344.371 2.484 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000589501692 468158377 /nfs/dbraw/zinc/15/83/77/468158377.db2.gz WFJMEBMBMRHNAU-UKRRQHHQSA-N 1 0 334.372 2.382 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000589517784 468159734 /nfs/dbraw/zinc/15/97/34/468159734.db2.gz LLKRNMSAOYTGNK-QGZVFWFLSA-N 1 0 334.372 2.384 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600472703 468567149 /nfs/dbraw/zinc/56/71/49/468567149.db2.gz OKGOKLQQAWTIQD-CQSZACIVSA-N 1 0 333.388 2.107 10 5 EEBERO CC(C)Oc1nc(NCc2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC000594585117 468628049 /nfs/dbraw/zinc/62/80/49/468628049.db2.gz NIHSLZNVTIWOIM-UHFFFAOYSA-N 1 0 327.344 3.037 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000597696044 468641769 /nfs/dbraw/zinc/64/17/69/468641769.db2.gz VAEMIELGRDPAEG-RDJZCZTQSA-N 1 0 347.415 2.147 10 5 EEBERO CC(C)[NH2+][C@H]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601109536 468745074 /nfs/dbraw/zinc/74/50/74/468745074.db2.gz RLPSIWHYEAYNFR-VIFPVBQESA-N 1 0 335.330 2.314 10 5 EEBERO C[NH+](C)C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000601189734 468775903 /nfs/dbraw/zinc/77/59/03/468775903.db2.gz UCQFCXXWPFFKAU-QGZVFWFLSA-N 1 0 330.388 2.036 10 5 EEBERO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[C@@H]1c1cccc(F)c1 ZINC000595226618 468788734 /nfs/dbraw/zinc/78/87/34/468788734.db2.gz WOKYHIVDFQLRDH-ZIAGYGMSSA-N 1 0 332.335 2.019 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595274716 468798838 /nfs/dbraw/zinc/79/88/38/468798838.db2.gz ZUXJAOSQZQKZDE-UHFFFAOYSA-N 1 0 330.388 2.021 10 5 EEBERO CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598341974 468836555 /nfs/dbraw/zinc/83/65/55/468836555.db2.gz JQTHYVPCWJTEAO-SNVBAGLBSA-N 1 0 327.331 2.016 10 5 EEBERO COc1cc(C[NH2+][C@H](CO)C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595616319 468925258 /nfs/dbraw/zinc/92/52/58/468925258.db2.gz MKZIOBMCYAJTCE-LLVKDONJSA-N 1 0 346.330 2.455 10 5 EEBERO COc1ccc(OCCN2CCO[C@@](C)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595618987 468926455 /nfs/dbraw/zinc/92/64/55/468926455.db2.gz XMBLERSMQCNBPM-QGZVFWFLSA-N 1 0 336.388 2.483 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595785536 469009894 /nfs/dbraw/zinc/00/98/94/469009894.db2.gz XJGHVHMECSIELH-GJZGRUSLSA-N 1 0 333.388 2.125 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3COC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595834985 469033251 /nfs/dbraw/zinc/03/32/51/469033251.db2.gz UBCHMLYQNDYVPY-ZIAGYGMSSA-N 1 0 333.388 2.200 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000610733154 469053603 /nfs/dbraw/zinc/05/36/03/469053603.db2.gz UQWSAFKPNQEXIL-KRWDZBQOSA-N 1 0 347.415 2.312 10 5 EEBERO Nc1cc(NCC[N@@H+]2CCc3sccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000587434131 469090193 /nfs/dbraw/zinc/09/01/93/469090193.db2.gz LWFMAGIKSWVDIY-UHFFFAOYSA-N 1 0 348.428 2.201 10 5 EEBERO Nc1cc(NCC[NH+]2Cc3ccccc3C2)cc(CO)c1[N+](=O)[O-] ZINC000587543519 469090896 /nfs/dbraw/zinc/09/08/96/469090896.db2.gz SMLAMAHSTFCJLF-UHFFFAOYSA-N 1 0 328.372 2.097 10 5 EEBERO C[N@H+]1Cc2ccccc2[C@H](Nc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000588007595 469104308 /nfs/dbraw/zinc/10/43/08/469104308.db2.gz POPZNKHNYGWMNM-MRXNPFEDSA-N 1 0 328.372 2.268 10 5 EEBERO [NH3+]CC1(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000593718755 469107311 /nfs/dbraw/zinc/10/73/11/469107311.db2.gz MNYJIMLGGNEGAB-UHFFFAOYSA-N 1 0 332.404 2.398 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000601973950 469121143 /nfs/dbraw/zinc/12/11/43/469121143.db2.gz FSGNCEZDYWKDPV-CALCHBBNSA-N 1 0 329.356 2.413 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](C(F)F)CC1 ZINC000601975222 469121694 /nfs/dbraw/zinc/12/16/94/469121694.db2.gz MLEXCLVGVCYGOS-MFKMUULPSA-N 1 0 343.330 2.278 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000599161483 469143805 /nfs/dbraw/zinc/14/38/05/469143805.db2.gz YJATXLLYUFAXEP-UHFFFAOYSA-N 1 0 346.431 2.254 10 5 EEBERO COc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596104825 469155830 /nfs/dbraw/zinc/15/58/30/469155830.db2.gz NSLLXQSARTVZMZ-LLVKDONJSA-N 1 0 342.827 2.305 10 5 EEBERO COc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000596269359 469227207 /nfs/dbraw/zinc/22/72/07/469227207.db2.gz RTKTWJORNKWKMX-UHFFFAOYSA-N 1 0 335.404 2.295 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(=NC[C@@H]3CCC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000596570692 469303912 /nfs/dbraw/zinc/30/39/12/469303912.db2.gz MUXLVQUTGJRDSG-ZDUSSCGKSA-N 1 0 329.404 2.427 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000611761724 469317737 /nfs/dbraw/zinc/31/77/37/469317737.db2.gz SSXUCHGGYDBKMA-AWEZNQCLSA-N 1 0 349.387 2.047 10 5 EEBERO CC(C)[C@H]([NH3+])CCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596655336 469323842 /nfs/dbraw/zinc/32/38/42/469323842.db2.gz VKSUOBKTDMZKNM-CVEARBPZSA-N 1 0 331.420 2.381 10 5 EEBERO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000179710180 533745411 /nfs/dbraw/zinc/74/54/11/533745411.db2.gz QJRCMPRDMRETLA-ZDUSSCGKSA-N 1 0 342.399 2.427 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])cc1F ZINC000184217492 533825491 /nfs/dbraw/zinc/82/54/91/533825491.db2.gz MBMBMHMNFOCZSF-NSHDSACASA-N 1 0 334.351 2.466 10 5 EEBERO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451262639 536181691 /nfs/dbraw/zinc/18/16/91/536181691.db2.gz XUSLTKWLXGPOGV-OCCSQVGLSA-N 1 0 332.360 2.238 10 5 EEBERO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000776812831 577468438 /nfs/dbraw/zinc/46/84/38/577468438.db2.gz NMBRKADDBAFCBJ-LSDHHAIUSA-N 1 0 344.795 2.158 10 5 EEBERO NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766094973 577512770 /nfs/dbraw/zinc/51/27/70/577512770.db2.gz QJFSCEQZCPIGKE-HIFRSBDPSA-N 1 0 346.431 2.197 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000769900666 577586739 /nfs/dbraw/zinc/58/67/39/577586739.db2.gz QMTIRAVVDJBAAP-MRVWCRGKSA-N 1 0 348.321 2.263 10 5 EEBERO COC(=O)[C@@H]1[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1(F)F ZINC000894850719 683192734 /nfs/dbraw/zinc/19/27/34/683192734.db2.gz NGHJWTGGGMMLEN-JQWIXIFHSA-N 1 0 328.315 2.474 10 5 EEBERO CC[NH+](CC)CCCN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000925275313 690573892 /nfs/dbraw/zinc/57/38/92/690573892.db2.gz IIEGZMMTNRBFNJ-KRWDZBQOSA-N 1 0 348.403 2.094 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C\c1ccc[nH]1 ZINC001267365993 1178855826 /nfs/dbraw/zinc/85/58/26/1178855826.db2.gz UOUMFTHHJYKAHC-FPLPWBNLSA-N 1 0 328.372 2.184 10 5 EEBERO O=C(NCC[N@H+](Cc1ccccc1C1CC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481169046 1179975311 /nfs/dbraw/zinc/97/53/11/1179975311.db2.gz LBMOQFGUNMMWJR-QZTJIDSGSA-N 1 0 343.427 2.310 10 5 EEBERO Cc1nscc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001670767710 1180818894 /nfs/dbraw/zinc/81/88/94/1180818894.db2.gz KHLPVKSJSGYICJ-UHFFFAOYSA-N 1 0 346.412 2.412 10 5 EEBERO Cc1nc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC001481293280 1180929539 /nfs/dbraw/zinc/92/95/39/1180929539.db2.gz APNPEDFDFFPKCN-UHFFFAOYSA-N 1 0 332.360 2.061 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccn1 ZINC001268230492 1182047853 /nfs/dbraw/zinc/04/78/53/1182047853.db2.gz WMTAQZOKZKYTSR-UHFFFAOYSA-N 1 0 328.372 2.194 10 5 EEBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1cnco1 ZINC001481901689 1182921069 /nfs/dbraw/zinc/92/10/69/1182921069.db2.gz IGZCCEREWCYNMV-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO CCOCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001482210619 1184076775 /nfs/dbraw/zinc/07/67/75/1184076775.db2.gz YOLWMEHFTUBUKC-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(Cl)no1 ZINC001493769066 1191299844 /nfs/dbraw/zinc/29/98/44/1191299844.db2.gz INBIPZQCJSIQFD-UHFFFAOYSA-N 1 0 338.751 2.098 10 5 EEBERO [NH3+]C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872148498 1198056648 /nfs/dbraw/zinc/05/66/48/1198056648.db2.gz JMJQLOJSYDZKHH-GHMZBOCLSA-N 1 0 333.310 2.043 10 5 EEBERO CCC[N@H+](CC)CCNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001137138893 1200730807 /nfs/dbraw/zinc/73/08/07/1200730807.db2.gz RWPPGZLYNLAGMA-UHFFFAOYSA-N 1 0 345.403 2.447 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000870551985 1200740169 /nfs/dbraw/zinc/74/01/69/1200740169.db2.gz RJYFSBFRCVCVIT-AWEZNQCLSA-N 1 0 346.387 2.492 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000870554755 1200741620 /nfs/dbraw/zinc/74/16/20/1200741620.db2.gz NDWPDPHNINYUHS-HNNXBMFYSA-N 1 0 332.360 2.278 10 5 EEBERO COc1ccc(CC(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871153546 1201073440 /nfs/dbraw/zinc/07/34/40/1201073440.db2.gz PUUZXSNUEPIJAO-UHFFFAOYSA-N 1 0 335.404 2.089 10 5 EEBERO CC(C)CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000866260095 1201478481 /nfs/dbraw/zinc/47/84/81/1201478481.db2.gz BUZVNOTWOHONEO-UHFFFAOYSA-N 1 0 348.447 2.498 10 5 EEBERO CCc1n[nH]cc1C(=O)NC/C=C/CNCc1csc([N+](=O)[O-])c1 ZINC001274154901 1204413325 /nfs/dbraw/zinc/41/33/25/1204413325.db2.gz XVPPDODLHUNYKF-ONEGZZNKSA-N 1 0 349.416 2.018 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762142 1206151650 /nfs/dbraw/zinc/15/16/50/1206151650.db2.gz HWNDUQWNEDHIBB-BXKDBHETSA-N 1 0 328.210 2.445 10 5 EEBERO COc1cc(C[N@@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000930911196 1206591910 /nfs/dbraw/zinc/59/19/10/1206591910.db2.gz LVXZOBXLTMGSAR-CKYFFXLPSA-N 1 0 339.367 2.217 10 5 EEBERO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903340025 1240270555 /nfs/dbraw/zinc/27/05/55/1240270555.db2.gz RKRYCQJUNAQVQA-CHWSQXEVSA-N 1 0 325.384 2.495 10 5 EEBERO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c(Cl)c1 ZINC000903971479 1242799142 /nfs/dbraw/zinc/79/91/42/1242799142.db2.gz BVDBOCCFVCJYAP-ZDUSSCGKSA-N 1 0 339.823 2.497 10 5 EEBERO CCOC(=O)c1ccnc(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC001187034534 1279373844 /nfs/dbraw/zinc/37/38/44/1279373844.db2.gz LCDUNKXBGKTPBQ-QWHCGFSZSA-N 1 0 348.403 2.451 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001187913387 1279698507 /nfs/dbraw/zinc/69/85/07/1279698507.db2.gz KSGLTTNVQDRCSV-IACUBPJLSA-N 1 0 333.388 2.442 10 5 EEBERO O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852585003 1292139154 /nfs/dbraw/zinc/13/91/54/1292139154.db2.gz WECFOBPYIJPGDU-STQMWFEESA-N 1 0 339.779 2.080 10 5 EEBERO Nc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000853755842 1292446181 /nfs/dbraw/zinc/44/61/81/1292446181.db2.gz AUUFJSUUPQYYOQ-UHFFFAOYSA-N 1 0 334.420 2.480 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000855164226 1293096595 /nfs/dbraw/zinc/09/65/95/1293096595.db2.gz JSAZXKHLFHZXQJ-VIFPVBQESA-N 1 0 327.331 2.476 10 5 EEBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC1CC([NH+](C)C)C1 ZINC000857229478 1293765739 /nfs/dbraw/zinc/76/57/39/1293765739.db2.gz UNAMTIRKAOFLEN-OIKLOGQESA-N 1 0 341.795 2.224 10 5 EEBERO CCc1ccc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861347240 1295352197 /nfs/dbraw/zinc/35/21/97/1295352197.db2.gz OASHCPAJQMAWDF-RHSMWYFYSA-N 1 0 336.388 2.423 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@]4(CCOC4)C3)n2)c1 ZINC000840139656 1315306111 /nfs/dbraw/zinc/30/61/11/1315306111.db2.gz ACBVAWOCAGLOML-KRWDZBQOSA-N 1 0 343.387 2.313 10 5 EEBERO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCNc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001263701641 1322504580 /nfs/dbraw/zinc/50/45/80/1322504580.db2.gz MASXUBKHXMYZQF-RBSFLKMASA-N 1 0 346.431 2.243 10 5 EEBERO Cc1cc(CC(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)no1 ZINC001264971335 1322821655 /nfs/dbraw/zinc/82/16/55/1322821655.db2.gz PTVJCVYJGCBBPO-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001297103603 1329943301 /nfs/dbraw/zinc/94/33/01/1329943301.db2.gz CHAIHSLAELIPSU-NEPJUHHUSA-N 1 0 345.403 2.208 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC001301504179 1331301614 /nfs/dbraw/zinc/30/16/14/1331301614.db2.gz RIMAHCUZNGEHKP-CQSZACIVSA-N 1 0 332.404 2.150 10 5 EEBERO Cc1nc(C(C)C)ccc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322506062 1333273261 /nfs/dbraw/zinc/27/32/61/1333273261.db2.gz VBLYUGOZMXQILA-NVXWUHKLSA-N 1 0 348.447 2.117 10 5 EEBERO C[C@@]12COC[C@H]1C[N@H+](Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)C2 ZINC001333720850 1336114196 /nfs/dbraw/zinc/11/41/96/1336114196.db2.gz CWXPUCLVLWARTA-NVXWUHKLSA-N 1 0 328.372 2.384 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001351834526 1337855508 /nfs/dbraw/zinc/85/55/08/1337855508.db2.gz BHKZPUHGMOSHFH-AEGPPILISA-N 1 0 332.404 2.076 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001351834528 1337855533 /nfs/dbraw/zinc/85/55/33/1337855533.db2.gz BHKZPUHGMOSHFH-CFVMTHIKSA-N 1 0 332.404 2.076 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000848025030 1338456405 /nfs/dbraw/zinc/45/64/05/1338456405.db2.gz MKEVPKRCEIJZRK-WCRPCQDQSA-N 1 0 349.431 2.207 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001617913448 1352346052 /nfs/dbraw/zinc/34/60/52/1352346052.db2.gz PBSKKOXKRKVFDH-CYBMUJFWSA-N 1 0 335.404 2.407 10 5 EEBERO O=[N+]([O-])CC[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001618266726 1352348768 /nfs/dbraw/zinc/34/87/68/1352348768.db2.gz YLENLJMRNPVRCK-TZMCWYRMSA-N 1 0 343.221 2.471 10 5 EEBERO Cc1conc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001670304150 1356315104 /nfs/dbraw/zinc/31/51/04/1356315104.db2.gz AIITVLQCTLMCJC-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO O=C(Cc1ccoc1)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001565841229 1342567786 /nfs/dbraw/zinc/56/77/86/1342567786.db2.gz YNLVOLODJARNLC-FZNQNYSPSA-N 1 0 343.383 2.415 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnco1 ZINC001570204191 1343032340 /nfs/dbraw/zinc/03/23/40/1343032340.db2.gz IDGZOKVOPJZATE-UHFFFAOYSA-N 1 0 332.360 2.177 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001597306744 1349922139 /nfs/dbraw/zinc/92/21/39/1349922139.db2.gz STVUXTIBRNZUSJ-MRXNPFEDSA-N 1 0 346.431 2.265 10 5 EEBERO C[N@@H+]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C2(CCCCC2)C1 ZINC001634461993 1352629023 /nfs/dbraw/zinc/62/90/23/1352629023.db2.gz LZVBDOVGKNSVCL-UHFFFAOYSA-N 1 0 341.799 2.062 10 5 EEBERO Cc1c(C(=O)N2CCC23CC[NH+](C)CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001648738384 1353441461 /nfs/dbraw/zinc/44/14/61/1353441461.db2.gz SQYNBHROYUZQJN-UHFFFAOYSA-N 1 0 348.359 2.122 10 5 EEBERO Cc1ccc(C[NH+]2CCC(O)(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC001660008603 1354390917 /nfs/dbraw/zinc/39/09/17/1354390917.db2.gz IYKMXGCKOYPLLQ-UHFFFAOYSA-N 1 0 330.388 2.120 10 5 EEBERO COc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c(OC)c1 ZINC001660630596 1354504577 /nfs/dbraw/zinc/50/45/77/1354504577.db2.gz DJSLLQZBCPCAGG-GFCCVEGCSA-N 1 0 347.371 2.125 10 5 EEBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819105902 785405142 /nfs/dbraw/zinc/40/51/42/785405142.db2.gz JUQLJGLNGIIWJB-APPDUMDISA-N 1 0 332.404 2.199 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000912598294 788255187 /nfs/dbraw/zinc/25/51/87/788255187.db2.gz FJTNZWKVPGRZSP-KGLIPLIRSA-N 1 0 335.379 2.265 10 5 EEBERO C[NH+](C)[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000912600385 788256017 /nfs/dbraw/zinc/25/60/17/788256017.db2.gz PUNUDFAQKDCNQG-HOTGVXAUSA-N 1 0 347.415 2.353 10 5 EEBERO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903000 788482752 /nfs/dbraw/zinc/48/27/52/788482752.db2.gz KBKVBGRCIRAVCQ-AWEZNQCLSA-N 1 0 337.807 2.487 10 5 EEBERO C[C@H]1C[C@@H](NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001148547358 792522924 /nfs/dbraw/zinc/52/29/24/792522924.db2.gz KNYDDKOXFSARNO-JQWIXIFHSA-N 1 0 325.796 2.390 10 5 EEBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)CC2)c([N+](=O)[O-])c1 ZINC001174965137 797950374 /nfs/dbraw/zinc/95/03/74/797950374.db2.gz JREKZSGUTXKNPQ-ZDUSSCGKSA-N 1 0 346.347 2.322 10 5 EEBERO C[N@H+](CC(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC001177681783 799071997 /nfs/dbraw/zinc/07/19/97/799071997.db2.gz VPIOXUPPWGSJIX-UHFFFAOYSA-N 1 0 345.403 2.004 10 5 EEBERO C[NH+](C)CCNC(=S)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000789359757 807968022 /nfs/dbraw/zinc/96/80/22/807968022.db2.gz QZJLPRWUEOSDRS-UHFFFAOYSA-N 1 0 347.238 2.205 10 5 EEBERO C[NH+](C)C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790529417 808784448 /nfs/dbraw/zinc/78/44/48/808784448.db2.gz DIGHHJWLFYNZJJ-UHFFFAOYSA-N 1 0 343.786 2.482 10 5 EEBERO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001446182126 1092254509 /nfs/dbraw/zinc/25/45/09/1092254509.db2.gz JSENYSVKWQYNBR-UHFFFAOYSA-N 1 0 329.360 2.194 10 5 EEBERO CN(CCN(C)C(=O)c1ccsn1)Cc1ccccc1[N+](=O)[O-] ZINC001496725817 1101346195 /nfs/dbraw/zinc/34/61/95/1101346195.db2.gz IHXQMNHGNVTLPN-UHFFFAOYSA-N 1 0 334.401 2.255 10 5 EEBERO CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC001456229450 1109116991 /nfs/dbraw/zinc/11/69/91/1109116991.db2.gz KWKBVFPVNSFLOL-MRXNPFEDSA-N 1 0 344.415 2.465 10 5 EEBERO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001458669303 1109928820 /nfs/dbraw/zinc/92/88/20/1109928820.db2.gz POGLJWCQZAMXIS-SNVBAGLBSA-N 1 0 331.294 2.181 10 5 EEBERO COc1ccc(NC(=O)CC[N@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])c1 ZINC001460596730 1110318721 /nfs/dbraw/zinc/31/87/21/1110318721.db2.gz URXUILPJCAAMIJ-UHFFFAOYSA-N 1 0 347.375 2.096 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001465226860 1110413750 /nfs/dbraw/zinc/41/37/50/1110413750.db2.gz ANTQXKQKLMCNAL-CYBMUJFWSA-N 1 0 332.404 2.125 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cnns1 ZINC001502163515 1113622483 /nfs/dbraw/zinc/62/24/83/1113622483.db2.gz MBZSIQQBVNUYOR-UHFFFAOYSA-N 1 0 349.416 2.040 10 5 EEBERO CC[NH+]1CCC(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001540468567 1124084044 /nfs/dbraw/zinc/08/40/44/1124084044.db2.gz NONGEEQKIZEMMG-UHFFFAOYSA-N 1 0 325.796 2.391 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccn(C)c1 ZINC001568478584 1124536447 /nfs/dbraw/zinc/53/64/47/1124536447.db2.gz FXKVQZJCTXIBEE-UHFFFAOYSA-N 1 0 330.388 2.137 10 5 EEBERO Nc1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000068365221 202205675 /nfs/dbraw/zinc/20/56/75/202205675.db2.gz GKNRDGIUNKABAW-UHFFFAOYSA-N 1 0 336.367 2.017 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)n1 ZINC000191813640 239312627 /nfs/dbraw/zinc/31/26/27/239312627.db2.gz DYCFRDCYCRTRJB-UHFFFAOYSA-N 1 0 337.424 2.004 10 5 EEBERO Cc1c(F)cc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000193302561 240097711 /nfs/dbraw/zinc/09/77/11/240097711.db2.gz PWZSELGKMKLUBL-CYBMUJFWSA-N 1 0 347.412 2.036 10 5 EEBERO C[C@@]12C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451366080 243091839 /nfs/dbraw/zinc/09/18/39/243091839.db2.gz XSPKZMZFLSNYPV-CIMZGTONSA-N 1 0 344.411 2.479 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000107894100 204250642 /nfs/dbraw/zinc/25/06/42/204250642.db2.gz JSXFDGHAHYBBGY-AWEZNQCLSA-N 1 0 334.420 2.245 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000127289765 205093823 /nfs/dbraw/zinc/09/38/23/205093823.db2.gz IXCYIELKHGXRAL-UKRRQHHQSA-N 1 0 334.420 2.195 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000495240966 247096443 /nfs/dbraw/zinc/09/64/43/247096443.db2.gz NSPSKKMJANZPIM-PXAZEXFGSA-N 1 0 335.404 2.325 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)N(C)CC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000359553907 296400817 /nfs/dbraw/zinc/40/08/17/296400817.db2.gz VBHLTUQLMPNYBD-CQSZACIVSA-N 1 0 348.447 2.465 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189843764 160150808 /nfs/dbraw/zinc/15/08/08/160150808.db2.gz YKMGTJKFEWGBQZ-ZDUSSCGKSA-N 1 0 343.449 2.220 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245519776 160239325 /nfs/dbraw/zinc/23/93/25/160239325.db2.gz IYGUHCJRHUMMBJ-OLZOCXBDSA-N 1 0 347.371 2.022 10 5 EEBERO CCN1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000341794863 161014023 /nfs/dbraw/zinc/01/40/23/161014023.db2.gz DLSGUPZQIJYZKX-JTQLQIEISA-N 1 0 343.330 2.362 10 5 EEBERO CC[NH+](CC)CCNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359047846 164045800 /nfs/dbraw/zinc/04/58/00/164045800.db2.gz UWBHZYBBQUVHJI-UHFFFAOYSA-N 1 0 331.319 2.268 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000368320526 166087525 /nfs/dbraw/zinc/08/75/25/166087525.db2.gz YQTPMVVUXWSSJN-VQIMIIECSA-N 1 0 346.475 2.361 10 5 EEBERO O=C1[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451891580 275029362 /nfs/dbraw/zinc/02/93/62/275029362.db2.gz AGDMWTRTAWONAJ-SJLPKXTDSA-N 1 0 345.399 2.203 10 5 EEBERO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000298720601 294569954 /nfs/dbraw/zinc/56/99/54/294569954.db2.gz OMKGDFHZAZRNHS-STQMWFEESA-N 1 0 349.435 2.259 10 5 EEBERO COc1cc(CN2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414782148 313087226 /nfs/dbraw/zinc/08/72/26/313087226.db2.gz IHMUTPMAYIEDTH-ONGXEEELSA-N 1 0 345.346 2.169 10 5 EEBERO Cc1c(NC(=O)N(C)[C@@H](C)C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415660749 313164188 /nfs/dbraw/zinc/16/41/88/313164188.db2.gz PYSXSTULRLQESA-ZETCQYMHSA-N 1 0 345.197 2.477 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(C(F)(F)F)CC1 ZINC000563618149 319030759 /nfs/dbraw/zinc/03/07/59/319030759.db2.gz MUSHTZOGXKOQDV-SNVBAGLBSA-N 1 0 334.294 2.267 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000564839866 319116457 /nfs/dbraw/zinc/11/64/57/319116457.db2.gz FEWUMARCKMBBPQ-ZDUSSCGKSA-N 1 0 331.376 2.021 10 5 EEBERO COc1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000577872296 320281657 /nfs/dbraw/zinc/28/16/57/320281657.db2.gz CZQWEPLEVROEPR-MRXNPFEDSA-N 1 0 341.367 2.302 10 5 EEBERO CN(CCC(=O)NCCc1cccc([N+](=O)[O-])c1)c1cc[nH+]cc1 ZINC000579270342 323814072 /nfs/dbraw/zinc/81/40/72/323814072.db2.gz WDXOSETZPIQXGI-UHFFFAOYSA-N 1 0 328.372 2.175 10 5 EEBERO CNc1nccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000516582006 448443809 /nfs/dbraw/zinc/44/38/09/448443809.db2.gz LFKVRRRFJVWNEL-CYBMUJFWSA-N 1 0 347.419 2.122 10 5 EEBERO CC(C)[N@@H+]1CCCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000296092517 465078843 /nfs/dbraw/zinc/07/88/43/465078843.db2.gz YEIUXUNUMODCRU-UHFFFAOYSA-N 1 0 344.419 2.311 10 5 EEBERO C[C@](CO)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000347738192 465199133 /nfs/dbraw/zinc/19/91/33/465199133.db2.gz OCPZMBUCIZYLON-QGZVFWFLSA-N 1 0 332.356 2.177 10 5 EEBERO Cc1sc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047434900 462783794 /nfs/dbraw/zinc/78/37/94/462783794.db2.gz VDDXFOGMIATPAU-PHIMTYICSA-N 1 0 341.433 2.194 10 5 EEBERO Cc1sc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047434902 462784181 /nfs/dbraw/zinc/78/41/81/462784181.db2.gz VDDXFOGMIATPAU-QWRGUYRKSA-N 1 0 341.433 2.194 10 5 EEBERO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178670865 463940633 /nfs/dbraw/zinc/94/06/33/463940633.db2.gz AXGDQJXOSYWDBU-SMDDNHRTSA-N 1 0 336.392 2.258 10 5 EEBERO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000284333578 464153925 /nfs/dbraw/zinc/15/39/25/464153925.db2.gz BSQKDXFFMMHCNB-AWEZNQCLSA-N 1 0 335.404 2.354 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000284961102 464407172 /nfs/dbraw/zinc/40/71/72/464407172.db2.gz KEODNFSCPYFJKR-JKSUJKDBSA-N 1 0 328.372 2.052 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000282241160 464748808 /nfs/dbraw/zinc/74/88/08/464748808.db2.gz ZZUYMSKHTSPYOB-CQSZACIVSA-N 1 0 344.419 2.204 10 5 EEBERO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000183160590 464811780 /nfs/dbraw/zinc/81/17/80/464811780.db2.gz TVQMMDIKEDLWDD-JRPNMDOOSA-N 1 0 337.376 2.088 10 5 EEBERO O=C1[C@H]([NH2+][C@@H](CO)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000183657701 464894285 /nfs/dbraw/zinc/89/42/85/464894285.db2.gz RCBPCHNCXXWIGQ-SJORKVTESA-N 1 0 341.367 2.023 10 5 EEBERO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000184014594 464938184 /nfs/dbraw/zinc/93/81/84/464938184.db2.gz INQLBMDENAOKHO-OAHLLOKOSA-N 1 0 329.404 2.392 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362522874 465802236 /nfs/dbraw/zinc/80/22/36/465802236.db2.gz YMHBOQIMBSQVBH-NSHDSACASA-N 1 0 341.358 2.406 10 5 EEBERO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCCCCC1 ZINC000301085419 465897237 /nfs/dbraw/zinc/89/72/37/465897237.db2.gz KMLLHENRZTYZKY-HNNXBMFYSA-N 1 0 349.435 2.401 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000591370620 468460764 /nfs/dbraw/zinc/46/07/64/468460764.db2.gz LRPIGIIEBKZUQZ-CHWSQXEVSA-N 1 0 330.388 2.034 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000357345711 465968576 /nfs/dbraw/zinc/96/85/76/465968576.db2.gz KRCOQMDOVZRESN-LBPRGKRZSA-N 1 0 345.403 2.352 10 5 EEBERO Cc1ccnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000301844039 466044147 /nfs/dbraw/zinc/04/41/47/466044147.db2.gz LKIXIIGQTSNLAL-XYPWUTKMSA-N 1 0 345.447 2.045 10 5 EEBERO Cc1ccc(N2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000363172133 466262476 /nfs/dbraw/zinc/26/24/76/466262476.db2.gz IHXQPGKTTBWYGT-UHFFFAOYSA-N 1 0 329.404 2.312 10 5 EEBERO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000372284357 466277862 /nfs/dbraw/zinc/27/78/62/466277862.db2.gz ZBZMVYXIFLVXOZ-HZPDHXFCSA-N 1 0 336.388 2.180 10 5 EEBERO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363419518 466391838 /nfs/dbraw/zinc/39/18/38/466391838.db2.gz VXNHTYDRCAJZQB-MAUKXSAKSA-N 1 0 332.448 2.368 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597236497 468490635 /nfs/dbraw/zinc/49/06/35/468490635.db2.gz RAGASHOHKUHQEK-MAVJXHJTSA-N 1 0 331.416 2.139 10 5 EEBERO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000427485217 467160320 /nfs/dbraw/zinc/16/03/20/467160320.db2.gz BAEGCIKTQJUICT-SNVBAGLBSA-N 1 0 329.347 2.260 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000378503417 467324539 /nfs/dbraw/zinc/32/45/39/467324539.db2.gz AQXUPUKXMUNNAE-MAUKXSAKSA-N 1 0 343.383 2.124 10 5 EEBERO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408021567 467496350 /nfs/dbraw/zinc/49/63/50/467496350.db2.gz IORXXWGBWGUZPS-ZDUSSCGKSA-N 1 0 328.372 2.386 10 5 EEBERO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000494653744 468076836 /nfs/dbraw/zinc/07/68/36/468076836.db2.gz FRTYADKBRDSCTC-CQSZACIVSA-N 1 0 349.412 2.251 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000589498284 468156884 /nfs/dbraw/zinc/15/68/84/468156884.db2.gz IUFVPXLXZZRJRQ-MRXNPFEDSA-N 1 0 347.415 2.442 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000589501696 468158333 /nfs/dbraw/zinc/15/83/33/468158333.db2.gz WFJMEBMBMRHNAU-ZFWWWQNUSA-N 1 0 334.372 2.382 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000600679222 468618327 /nfs/dbraw/zinc/61/83/27/468618327.db2.gz SYTKAKMRVTZOJM-DOMZBBRYSA-N 1 0 332.404 2.186 10 5 EEBERO Cn1ccnc1[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600712383 468628797 /nfs/dbraw/zinc/62/87/97/468628797.db2.gz XKRYLCQLFMRPLV-CVEARBPZSA-N 1 0 341.415 2.292 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)o2)c1 ZINC000594612438 468636740 /nfs/dbraw/zinc/63/67/40/468636740.db2.gz KTUHURCTYQOPBM-JKSUJKDBSA-N 1 0 343.383 2.106 10 5 EEBERO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)n1 ZINC000592176763 468646665 /nfs/dbraw/zinc/64/66/65/468646665.db2.gz DHSZTRYCXFBVJK-QGZVFWFLSA-N 1 0 342.399 2.451 10 5 EEBERO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](CC)C1 ZINC000598040088 468746175 /nfs/dbraw/zinc/74/61/75/468746175.db2.gz CDTFCCPVTKOAGG-AWEZNQCLSA-N 1 0 335.404 2.306 10 5 EEBERO CCN(C(=O)CCNc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598042538 468747336 /nfs/dbraw/zinc/74/73/36/468747336.db2.gz PMDMLJPBODDPFL-CQSZACIVSA-N 1 0 334.420 2.340 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000601154902 468763095 /nfs/dbraw/zinc/76/30/95/468763095.db2.gz AVLNFAKCOYMPOL-SECBINFHSA-N 1 0 335.330 2.268 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226225 468788949 /nfs/dbraw/zinc/78/89/49/468788949.db2.gz RPMBKXDZMQOKCN-CZUORRHYSA-N 1 0 332.404 2.293 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000595253016 468793816 /nfs/dbraw/zinc/79/38/16/468793816.db2.gz KVMBLJCTTSRPAS-MRXNPFEDSA-N 1 0 341.367 2.454 10 5 EEBERO Cn1ccnc1[C@@H](NCC[C@H](O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601298436 468816436 /nfs/dbraw/zinc/81/64/36/468816436.db2.gz HVEXKUFEVGKNTJ-STQMWFEESA-N 1 0 340.330 2.023 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601596253 468931396 /nfs/dbraw/zinc/93/13/96/468931396.db2.gz VZFUWTRJITZGMV-BBRMVZONSA-N 1 0 329.400 2.179 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+]2CCC[C@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595749388 468986138 /nfs/dbraw/zinc/98/61/38/468986138.db2.gz FTSVFERAMQFEOT-GOSISDBHSA-N 1 0 347.415 2.469 10 5 EEBERO C[C@@]12COC[C@@H]1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000595756161 468990861 /nfs/dbraw/zinc/99/08/61/468990861.db2.gz FFIZUMHBDWMOHA-BLLLJJGKSA-N 1 0 330.344 2.113 10 5 EEBERO C[C@@H]1C[C@@H](N2CCOCC2)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599082379 469110348 /nfs/dbraw/zinc/11/03/48/469110348.db2.gz QBKBPZJIKNOSEV-UKRRQHHQSA-N 1 0 342.399 2.442 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000610959533 469123759 /nfs/dbraw/zinc/12/37/59/469123759.db2.gz CWBWRWAQWQUTLZ-NSHDSACASA-N 1 0 331.294 2.438 10 5 EEBERO CCO[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C[NH3+] ZINC000593763775 469129255 /nfs/dbraw/zinc/12/92/55/469129255.db2.gz PECMBMJLWWZACJ-IUODEOHRSA-N 1 0 336.392 2.039 10 5 EEBERO COc1cc(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611515167 469269534 /nfs/dbraw/zinc/26/95/34/469269534.db2.gz APUATQTYUXNSLV-MRXNPFEDSA-N 1 0 349.431 2.290 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000611815498 469329033 /nfs/dbraw/zinc/32/90/33/469329033.db2.gz HQKGIUXLENUUHH-UHFFFAOYSA-N 1 0 333.388 2.344 10 5 EEBERO Cc1c(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000619184308 469545298 /nfs/dbraw/zinc/54/52/98/469545298.db2.gz JAYMUCWZJWVAAJ-UHFFFAOYSA-N 1 0 331.376 2.097 10 5 EEBERO CNc1c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cccc1[N+](=O)[O-] ZINC000613229665 469663337 /nfs/dbraw/zinc/66/33/37/469663337.db2.gz HOZGGLVFVQWDGO-UHFFFAOYSA-N 1 0 338.327 2.470 10 5 EEBERO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000187969509 533728011 /nfs/dbraw/zinc/72/80/11/533728011.db2.gz WMNQSRLQXSKRMY-SUMWQHHRSA-N 1 0 335.404 2.041 10 5 EEBERO C/C(=C/C(=O)NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752393712 577770254 /nfs/dbraw/zinc/77/02/54/577770254.db2.gz RUVMPVYCGKOPBY-OWBHPGMISA-N 1 0 347.415 2.225 10 5 EEBERO CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000752528741 577772239 /nfs/dbraw/zinc/77/22/39/577772239.db2.gz XATHCZCQLCFINZ-ABDJAZHISA-N 1 0 349.431 2.471 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1SC ZINC000928450685 683206469 /nfs/dbraw/zinc/20/64/69/683206469.db2.gz UTNIJEILHDZGNI-GXSJLCMTSA-N 1 0 339.417 2.148 10 5 EEBERO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000722243089 693317054 /nfs/dbraw/zinc/31/70/54/693317054.db2.gz FZFDZRNKOSGANC-JOYOIKCWSA-N 1 0 328.210 2.397 10 5 EEBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001267081469 1178203766 /nfs/dbraw/zinc/20/37/66/1178203766.db2.gz KOPULTFCODKEHF-UHFFFAOYSA-N 1 0 342.399 2.089 10 5 EEBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(C(F)F)c1 ZINC001267241505 1178591641 /nfs/dbraw/zinc/59/16/41/1178591641.db2.gz ZNVGQCGRYCJMMA-ZIAGYGMSSA-N 1 0 341.358 2.228 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1oncc1C ZINC001268489073 1182973177 /nfs/dbraw/zinc/97/31/77/1182973177.db2.gz YGCMSBWSDJMKOI-UHFFFAOYSA-N 1 0 338.389 2.205 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(CC)cn1 ZINC001268492647 1182991852 /nfs/dbraw/zinc/99/18/52/1182991852.db2.gz IYTJVTYRIILGTN-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO Cc1ccc(F)c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001270743354 1185358723 /nfs/dbraw/zinc/35/87/23/1185358723.db2.gz OUXWMXCCBALNDU-GDBMZVCRSA-N 1 0 349.406 2.318 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccco1 ZINC001483498741 1190513114 /nfs/dbraw/zinc/51/31/14/1190513114.db2.gz JXDZBXXMENKLMM-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO Cc1c[nH]c(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001273167311 1197257981 /nfs/dbraw/zinc/25/79/81/1197257981.db2.gz ZAQDFHSBPTVMES-UHFFFAOYSA-N 1 0 343.387 2.069 10 5 EEBERO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000869449357 1200089134 /nfs/dbraw/zinc/08/91/34/1200089134.db2.gz ZREOUDOGTJJKOB-AWEZNQCLSA-N 1 0 335.379 2.410 10 5 EEBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000870549482 1200738753 /nfs/dbraw/zinc/73/87/53/1200738753.db2.gz AJLTXBZYNWEYEZ-GFCCVEGCSA-N 1 0 332.360 2.278 10 5 EEBERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255948 1201476717 /nfs/dbraw/zinc/47/67/17/1201476717.db2.gz HFLMQOPKUFUZBE-CZUORRHYSA-N 1 0 339.411 2.365 10 5 EEBERO CCC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866518578 1201538297 /nfs/dbraw/zinc/53/82/97/1201538297.db2.gz BTIPBWZBVAJZCS-WBVHZDCISA-N 1 0 349.387 2.247 10 5 EEBERO Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868355180 1201796695 /nfs/dbraw/zinc/79/66/95/1201796695.db2.gz PJSOWLRDKMOWTN-CQSZACIVSA-N 1 0 332.404 2.187 10 5 EEBERO C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000925802426 1206155178 /nfs/dbraw/zinc/15/51/78/1206155178.db2.gz GKSPMHUFSBNSMI-FRFSOERESA-N 1 0 343.431 2.253 10 5 EEBERO CCO[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C[NH+](C)C ZINC000930160218 1206538497 /nfs/dbraw/zinc/53/84/97/1206538497.db2.gz MCCMESUBRYLIJS-NSHDSACASA-N 1 0 344.799 2.336 10 5 EEBERO O=[N+]([O-])CC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000930555421 1206566899 /nfs/dbraw/zinc/56/68/99/1206566899.db2.gz UQWBYUDKBAJPMH-QAPCUYQASA-N 1 0 346.358 2.443 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931309618 1206623495 /nfs/dbraw/zinc/62/34/95/1206623495.db2.gz DXTCLVQMRUZGSK-DOPJRALCSA-N 1 0 346.431 2.195 10 5 EEBERO Cc1c(NC(=O)CCN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000933737644 1207830431 /nfs/dbraw/zinc/83/04/31/1207830431.db2.gz AOVCQTQBBBYUDK-KDOFPFPSSA-N 1 0 346.431 2.115 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903486243 1240625916 /nfs/dbraw/zinc/62/59/16/1240625916.db2.gz TWGZHNNXOKLKDU-CQSZACIVSA-N 1 0 332.404 2.106 10 5 EEBERO [NH3+][C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000903535232 1240834045 /nfs/dbraw/zinc/83/40/45/1240834045.db2.gz NVZQJYTXYZCCIT-STQMWFEESA-N 1 0 333.310 2.185 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001187913392 1279697728 /nfs/dbraw/zinc/69/77/28/1279697728.db2.gz KSGLTTNVQDRCSV-MRVWCRGKSA-N 1 0 333.388 2.442 10 5 EEBERO Cc1c(-c2noc(-c3c[nH]nc3[C@H]3CC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000854161514 1292651914 /nfs/dbraw/zinc/65/19/14/1292651914.db2.gz ZWEAQWXOAOGZNK-JTQLQIEISA-N 1 0 340.343 2.420 10 5 EEBERO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000858475831 1294128107 /nfs/dbraw/zinc/12/81/07/1294128107.db2.gz LDZZFFPJNCICIM-SMDDNHRTSA-N 1 0 347.371 2.163 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859208299 1294349482 /nfs/dbraw/zinc/34/94/82/1294349482.db2.gz LRJZBGWUUSWAAR-NSHDSACASA-N 1 0 341.795 2.089 10 5 EEBERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000863037045 1296093371 /nfs/dbraw/zinc/09/33/71/1296093371.db2.gz GIQSICAFKDMPFI-OASPWFOLSA-N 1 0 346.214 2.378 10 5 EEBERO CCOC(=O)C1=CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000863574526 1296340938 /nfs/dbraw/zinc/34/09/38/1296340938.db2.gz AOXUHKFDVIQSFS-ZDUSSCGKSA-N 1 0 347.371 2.165 10 5 EEBERO Cn1nccc1[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000927126063 1297026901 /nfs/dbraw/zinc/02/69/01/1297026901.db2.gz DBWMRUCJWWEDIE-GDBMZVCRSA-N 1 0 330.388 2.374 10 5 EEBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000927149558 1297038297 /nfs/dbraw/zinc/03/82/97/1297038297.db2.gz HIUDEAGNFVXCDL-GXTWGEPZSA-N 1 0 329.404 2.192 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]12CC[N@H+](C1)CCC2 ZINC001123824860 1310718420 /nfs/dbraw/zinc/71/84/20/1310718420.db2.gz PYYFDVJLESOKAP-QGZVFWFLSA-N 1 0 333.388 2.209 10 5 EEBERO CC1(C)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001124023128 1310806806 /nfs/dbraw/zinc/80/68/06/1310806806.db2.gz GZFMSNUWYRLAKT-AWEZNQCLSA-N 1 0 335.404 2.007 10 5 EEBERO C[NH+](C)[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])C1CC1 ZINC001162423895 1320853319 /nfs/dbraw/zinc/85/33/19/1320853319.db2.gz DDIIYXIPCHDHKU-AWEZNQCLSA-N 1 0 345.359 2.225 10 5 EEBERO C[N@H+](CCCNC(=O)c1cncc(F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC001264976359 1322826898 /nfs/dbraw/zinc/82/68/98/1322826898.db2.gz WWZWFGZRWMSNHZ-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO Cc1cnoc1C(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001265948633 1323511455 /nfs/dbraw/zinc/51/14/55/1323511455.db2.gz XSOXVSHHPKVDKG-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC001316891453 1331957192 /nfs/dbraw/zinc/95/71/92/1331957192.db2.gz YQDBRTSIZIETDG-HZPDHXFCSA-N 1 0 345.399 2.426 10 5 EEBERO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1)CCC(F)(F)F ZINC001556176939 1342424742 /nfs/dbraw/zinc/42/47/42/1342424742.db2.gz KIOAEQLQLSHNAV-UHFFFAOYSA-N 1 0 348.325 2.302 10 5 EEBERO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001560140174 1342508105 /nfs/dbraw/zinc/50/81/05/1342508105.db2.gz LKCZQHZOPSZVGQ-IXDOHACOSA-N 1 0 348.399 2.495 10 5 EEBERO O=C(Cc1ccoc1)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001565863525 1342570689 /nfs/dbraw/zinc/57/06/89/1342570689.db2.gz NRALYLFLTUHUIX-WKILWMFISA-N 1 0 343.383 2.415 10 5 EEBERO COCC[NH+]1CCC(Nc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001642140336 1352728206 /nfs/dbraw/zinc/72/82/06/1352728206.db2.gz MAAKQBYUEMZWPA-UHFFFAOYSA-N 1 0 339.392 2.135 10 5 EEBERO CC(C)[NH+]1CCC(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC001643601104 1352750817 /nfs/dbraw/zinc/75/08/17/1352750817.db2.gz MVAIPJLEPXVHBB-SFHVURJKSA-N 1 0 349.431 2.039 10 5 EEBERO C[NH+]1CCC(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001136536883 787002209 /nfs/dbraw/zinc/00/22/09/787002209.db2.gz OWMKICSFEWHMEF-UHFFFAOYSA-N 1 0 342.399 2.402 10 5 EEBERO Cc1cc(OCC(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913279994 788739492 /nfs/dbraw/zinc/73/94/92/788739492.db2.gz ZEEJVCAOVAJKBB-HDICACEKSA-N 1 0 347.415 2.082 10 5 EEBERO COc1cccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000913278148 788755344 /nfs/dbraw/zinc/75/53/44/788755344.db2.gz BKBTULGCMUNZOT-IRXDYDNUSA-N 1 0 333.388 2.017 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913292588 788769747 /nfs/dbraw/zinc/76/97/47/788769747.db2.gz ANNRZCQRDUZPLN-QZTJIDSGSA-N 1 0 346.431 2.075 10 5 EEBERO CNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001176028574 798323178 /nfs/dbraw/zinc/32/31/78/798323178.db2.gz NQOSOBCMYHQDQN-GFCCVEGCSA-N 1 0 349.412 2.354 10 5 EEBERO CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000922167174 799612056 /nfs/dbraw/zinc/61/20/56/799612056.db2.gz WVMNWAJJUBIKEK-CYBMUJFWSA-N 1 0 325.796 2.391 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001497573291 1102685315 /nfs/dbraw/zinc/68/53/15/1102685315.db2.gz ODBHRUBVBQFEAZ-CVRORYRCSA-N 1 0 340.383 2.398 10 5 EEBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001462788512 1110364135 /nfs/dbraw/zinc/36/41/35/1110364135.db2.gz XSTKSUZZGDRPRV-UHFFFAOYSA-N 1 0 332.335 2.433 10 5 EEBERO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001529414897 1121433165 /nfs/dbraw/zinc/43/31/65/1121433165.db2.gz KAGKROTZMBZNPK-SNVBAGLBSA-N 1 0 326.372 2.166 10 5 EEBERO CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001568100964 1124303215 /nfs/dbraw/zinc/30/32/15/1124303215.db2.gz HAEDCZBIHYMVPL-JOCQHMNTSA-N 1 0 337.424 2.036 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCOCC1 ZINC001569191032 1125154624 /nfs/dbraw/zinc/15/46/24/1125154624.db2.gz PUVABFVZBJAXSE-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ccns1 ZINC001569208248 1125164958 /nfs/dbraw/zinc/16/49/58/1125164958.db2.gz ZGUMDIDLQGRVHJ-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO [NH3+]CCC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000070188674 215682332 /nfs/dbraw/zinc/68/23/32/215682332.db2.gz JVESACSDPXULND-UHFFFAOYSA-N 1 0 329.198 2.318 10 5 EEBERO C[C@H]1C[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C ZINC000172765463 291125642 /nfs/dbraw/zinc/12/56/42/291125642.db2.gz XGMPXDNSKCKGKI-WCQYABFASA-N 1 0 332.404 2.398 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451900867 243300327 /nfs/dbraw/zinc/30/03/27/243300327.db2.gz MIIWCZOLHKUNLO-DYVFJYSZSA-N 1 0 333.388 2.424 10 5 EEBERO O=[N+]([O-])c1cc(Br)cnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094466486 285083841 /nfs/dbraw/zinc/08/38/41/285083841.db2.gz KABDBJRQAPNLNH-SNVBAGLBSA-N 1 0 327.182 2.037 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CCC[N@@H+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000172542686 152091613 /nfs/dbraw/zinc/09/16/13/152091613.db2.gz PLAFQKRSWNNUGF-AWEZNQCLSA-N 1 0 346.431 2.400 10 5 EEBERO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[NH+]1CCCC1 ZINC000359482740 153392291 /nfs/dbraw/zinc/39/22/91/153392291.db2.gz RPRRMQNCJBARQB-UHFFFAOYSA-N 1 0 325.340 2.418 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCS[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000249049929 160371985 /nfs/dbraw/zinc/37/19/85/160371985.db2.gz XGLYUGLQTVLFAF-TZMCWYRMSA-N 1 0 339.373 2.209 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246303716 160272604 /nfs/dbraw/zinc/27/26/04/160272604.db2.gz BYUXHQGAKGEADP-YOEHRIQHSA-N 1 0 349.431 2.146 10 5 EEBERO CCCN(CC[NH+](C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000342437347 161065523 /nfs/dbraw/zinc/06/55/23/161065523.db2.gz JDNLDBRBLQDIHU-UHFFFAOYSA-N 1 0 329.347 2.216 10 5 EEBERO O=C(CC[NH2+][C@H](CO)c1ccsc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352020357 162031910 /nfs/dbraw/zinc/03/19/10/162031910.db2.gz HPZGGEYLBGQPOB-CQSZACIVSA-N 1 0 335.385 2.308 10 5 EEBERO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000370123125 166398717 /nfs/dbraw/zinc/39/87/17/166398717.db2.gz TVNBKBHOVHOWIE-UHFFFAOYSA-N 1 0 341.770 2.236 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123867165 222344492 /nfs/dbraw/zinc/34/44/92/222344492.db2.gz WZBFSRWDPFOIMM-KBPBESRZSA-N 1 0 334.420 2.338 10 5 EEBERO O=[N+]([O-])c1ccccc1CNCc1cccc(N2CCOCC2)n1 ZINC000274728888 269046983 /nfs/dbraw/zinc/04/69/83/269046983.db2.gz AJNFYPDOBVRYHJ-UHFFFAOYSA-N 1 0 328.372 2.116 10 5 EEBERO C[C@@H]1C[NH+](CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)O1 ZINC000277367271 269151055 /nfs/dbraw/zinc/15/10/55/269151055.db2.gz BNFQOCGXJVLSSL-VXGBXAGGSA-N 1 0 333.392 2.382 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000278326694 274346764 /nfs/dbraw/zinc/34/67/64/274346764.db2.gz ASSBUABJBUEUFX-AWEZNQCLSA-N 1 0 347.415 2.229 10 5 EEBERO O=C1C[C@H]([NH+]2C[C@H]3CCCC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000175924208 275020615 /nfs/dbraw/zinc/02/06/15/275020615.db2.gz BNRXEXPUSIVGPA-IOASZLSFSA-N 1 0 343.383 2.349 10 5 EEBERO CN(C)c1cc[nH+]cc1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288422020 275056669 /nfs/dbraw/zinc/05/66/69/275056669.db2.gz RIRMUXWAKUXAHG-UHFFFAOYSA-N 1 0 328.372 2.371 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000264491388 277045284 /nfs/dbraw/zinc/04/52/84/277045284.db2.gz GSARNQSKVQOSSP-OAHLLOKOSA-N 1 0 336.411 2.340 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000372268602 277137326 /nfs/dbraw/zinc/13/73/26/277137326.db2.gz ZVUBGOPQPXVQBS-ZBFHGGJFSA-N 1 0 326.356 2.165 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000495240970 281261167 /nfs/dbraw/zinc/26/11/67/281261167.db2.gz NSPSKKMJANZPIM-SJKOYZFVSA-N 1 0 335.404 2.325 10 5 EEBERO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCCCC1 ZINC000298320674 294471386 /nfs/dbraw/zinc/47/13/86/294471386.db2.gz RRKKQGBCOBAXCW-UHFFFAOYSA-N 1 0 335.408 2.155 10 5 EEBERO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C[NH+]1CCCC1 ZINC000301146425 294828000 /nfs/dbraw/zinc/82/80/00/294828000.db2.gz JUJWVEPROIPNTK-NSHDSACASA-N 1 0 334.376 2.070 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415648958 313160069 /nfs/dbraw/zinc/16/00/69/313160069.db2.gz CRIYWMLOROUOKB-WCQYABFASA-N 1 0 334.376 2.209 10 5 EEBERO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416437030 313223222 /nfs/dbraw/zinc/22/32/22/313223222.db2.gz KOHKHXKGKOPYMF-UHFFFAOYSA-N 1 0 343.449 2.172 10 5 EEBERO [NH3+][C@@H](CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000418430961 313811454 /nfs/dbraw/zinc/81/14/54/313811454.db2.gz QBNPYSRMXADBEM-KRWDZBQOSA-N 1 0 340.383 2.363 10 5 EEBERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418601242 313857273 /nfs/dbraw/zinc/85/72/73/313857273.db2.gz UJLZJZQMEOVMOC-WFASDCNBSA-N 1 0 332.404 2.267 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418601240 313857458 /nfs/dbraw/zinc/85/74/58/313857458.db2.gz UJLZJZQMEOVMOC-IUODEOHRSA-N 1 0 332.404 2.267 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418601239 313857510 /nfs/dbraw/zinc/85/75/10/313857510.db2.gz UJLZJZQMEOVMOC-DOMZBBRYSA-N 1 0 332.404 2.267 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000439070779 315066154 /nfs/dbraw/zinc/06/61/54/315066154.db2.gz WTMGACVPHXRBJW-CYBMUJFWSA-N 1 0 338.408 2.118 10 5 EEBERO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000354811856 465167156 /nfs/dbraw/zinc/16/71/56/465167156.db2.gz FEWAUOIGVRQKCM-QGZVFWFLSA-N 1 0 343.387 2.102 10 5 EEBERO O=C(CC[N@@H+]1CCC[C@H]2COCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337248568 465266922 /nfs/dbraw/zinc/26/69/22/465266922.db2.gz KYRILDNOFLIUFG-DZGCQCFKSA-N 1 0 333.388 2.424 10 5 EEBERO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000337246641 465265856 /nfs/dbraw/zinc/26/58/56/465265856.db2.gz JNXSHTUKAJMREC-CQSZACIVSA-N 1 0 332.404 2.092 10 5 EEBERO C[N@H+](CCCNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1 ZINC000298303832 465359139 /nfs/dbraw/zinc/35/91/39/465359139.db2.gz MLTNJEJJYBXNRW-UHFFFAOYSA-N 1 0 335.408 2.155 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919033 462554553 /nfs/dbraw/zinc/55/45/53/462554553.db2.gz HVANKWBUMOGDTK-UHFFFAOYSA-N 1 0 346.431 2.341 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919258 462554781 /nfs/dbraw/zinc/55/47/81/462554781.db2.gz AEOYWLQKHMGLQW-UHFFFAOYSA-N 1 0 347.415 2.308 10 5 EEBERO O=C1CC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)N1 ZINC000076760097 462908260 /nfs/dbraw/zinc/90/82/60/462908260.db2.gz AIXBSXVKCJGHJU-NSHDSACASA-N 1 0 332.385 2.087 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000069704057 463307116 /nfs/dbraw/zinc/30/71/16/463307116.db2.gz XBTPUBIGMYEBMH-OLZOCXBDSA-N 1 0 335.404 2.468 10 5 EEBERO COCCN(C)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000070039374 463370345 /nfs/dbraw/zinc/37/03/45/463370345.db2.gz DLKKNTKHRDYJKH-HOCLYGCPSA-N 1 0 349.431 2.473 10 5 EEBERO CC(=O)c1ccc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000105791754 463465977 /nfs/dbraw/zinc/46/59/77/463465977.db2.gz NWPZXGSDNTYBID-ZDUSSCGKSA-N 1 0 349.431 2.326 10 5 EEBERO O=C(CN1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000171389490 463856866 /nfs/dbraw/zinc/85/68/66/463856866.db2.gz PSERRLSKEGNHCT-UHFFFAOYSA-N 1 0 346.431 2.341 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000284333581 464153065 /nfs/dbraw/zinc/15/30/65/464153065.db2.gz BSQKDXFFMMHCNB-CQSZACIVSA-N 1 0 335.404 2.354 10 5 EEBERO COc1ccc(OCC[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000173653847 464302552 /nfs/dbraw/zinc/30/25/52/464302552.db2.gz WDBBMTWLTNVDTI-ZDUSSCGKSA-N 1 0 346.387 2.205 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000175356284 464532606 /nfs/dbraw/zinc/53/26/06/464532606.db2.gz HEGZAHBZPDJSGY-CQSZACIVSA-N 1 0 337.420 2.398 10 5 EEBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246215135 464559685 /nfs/dbraw/zinc/55/96/85/464559685.db2.gz PLGQFOOTZLDYFL-AAEUAGOBSA-N 1 0 341.433 2.006 10 5 EEBERO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000281998716 464663402 /nfs/dbraw/zinc/66/34/02/464663402.db2.gz IQWDQJJUPZOIPG-GUYCJALGSA-N 1 0 335.404 2.406 10 5 EEBERO COCCC[N@H+](C)CCNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000182863613 464745320 /nfs/dbraw/zinc/74/53/20/464745320.db2.gz FLJGTOFTALMHQL-BUHFOSPRSA-N 1 0 335.404 2.083 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183096345 464796221 /nfs/dbraw/zinc/79/62/21/464796221.db2.gz YWGWCGXSILAVEO-FZMZJTMJSA-N 1 0 337.376 2.089 10 5 EEBERO O=C1[C@@H]([NH2+][C@@H](CO)c2ccccc2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000183657744 464894234 /nfs/dbraw/zinc/89/42/34/464894234.db2.gz RCBPCHNCXXWIGQ-IRXDYDNUSA-N 1 0 341.367 2.023 10 5 EEBERO Cc1c(OCC(=O)NC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000339639957 465408135 /nfs/dbraw/zinc/40/81/35/465408135.db2.gz UUOOWOOSBCQQRT-UHFFFAOYSA-N 1 0 333.388 2.025 10 5 EEBERO CCC[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362444554 465745054 /nfs/dbraw/zinc/74/50/54/465745054.db2.gz HBPXSICPGDKQLH-UHFFFAOYSA-N 1 0 341.358 2.406 10 5 EEBERO C[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000330848061 465828434 /nfs/dbraw/zinc/82/84/34/465828434.db2.gz CXEUDMCNQREADF-UHFFFAOYSA-N 1 0 341.433 2.138 10 5 EEBERO CC[N@@H+]1CC[C@@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353446072 465887899 /nfs/dbraw/zinc/88/78/99/465887899.db2.gz ZNHVCRMPXZEQCQ-WMLDXEAASA-N 1 0 343.431 2.349 10 5 EEBERO CCC[NH+]1CCC(CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000301130236 465908339 /nfs/dbraw/zinc/90/83/39/465908339.db2.gz QTNIPDODYDELAF-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301710990 466016172 /nfs/dbraw/zinc/01/61/72/466016172.db2.gz XUYYGBSJBVMWQG-WDEREUQCSA-N 1 0 334.376 2.210 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000341065822 466556466 /nfs/dbraw/zinc/55/64/66/466556466.db2.gz VDTNAHOGGCSLAG-VXGBXAGGSA-N 1 0 345.403 2.464 10 5 EEBERO C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C ZINC000411322877 466807466 /nfs/dbraw/zinc/80/74/66/466807466.db2.gz DHMJSMQPAFRPAF-CJNGLKHVSA-N 1 0 334.420 2.338 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000365409469 466809415 /nfs/dbraw/zinc/80/94/15/466809415.db2.gz IWDQZQXARDELKX-UHFFFAOYSA-N 1 0 333.388 2.350 10 5 EEBERO CCOC(=O)CC1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000434621701 467412296 /nfs/dbraw/zinc/41/22/96/467412296.db2.gz WGRKUZKYORHVOI-UHFFFAOYSA-N 1 0 349.387 2.389 10 5 EEBERO C[N@H+](CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccccc1 ZINC000395432731 467436675 /nfs/dbraw/zinc/43/66/75/467436675.db2.gz QVVWVFLCRKXICO-UHFFFAOYSA-N 1 0 325.372 2.437 10 5 EEBERO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000404599110 467476389 /nfs/dbraw/zinc/47/63/89/467476389.db2.gz GQAZMQZLGQXIIS-UHFFFAOYSA-N 1 0 349.412 2.101 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000569686210 468527460 /nfs/dbraw/zinc/52/74/60/468527460.db2.gz ZGZRHABFJJWVNV-QGZVFWFLSA-N 1 0 333.388 2.209 10 5 EEBERO Cc1cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000600411645 468549979 /nfs/dbraw/zinc/54/99/79/468549979.db2.gz SGRRXSJNOAHIMR-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600470127 468567710 /nfs/dbraw/zinc/56/77/10/468567710.db2.gz GBXCORCXEOTUBS-LBPRGKRZSA-N 1 0 335.408 2.017 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1nccc3cc([N+](=O)[O-])ccc31)CCO2 ZINC000591990545 468592097 /nfs/dbraw/zinc/59/20/97/468592097.db2.gz CJYKODUEIBOWIE-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1ccc3ncccc3c1[N+](=O)[O-])CCO2 ZINC000591994012 468593104 /nfs/dbraw/zinc/59/31/04/468593104.db2.gz ZZHXHNAARYOCCY-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO CCN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@H]1CC[N@H+](CC)C1 ZINC000598043236 468747361 /nfs/dbraw/zinc/74/73/61/468747361.db2.gz SDWOAXZDTFSLDC-INIZCTEOSA-N 1 0 344.415 2.492 10 5 EEBERO CC(C)OCC[NH+]1CCC(Nc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601123439 468750555 /nfs/dbraw/zinc/75/05/55/468750555.db2.gz DPBLQEBZJDNJPJ-UHFFFAOYSA-N 1 0 326.372 2.430 10 5 EEBERO CC[NH+](CC)[C@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601124248 468750769 /nfs/dbraw/zinc/75/07/69/468750769.db2.gz CKRNAMQOSXPODY-VIFPVBQESA-N 1 0 335.330 2.268 10 5 EEBERO COCc1n[nH]c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000595066487 468752467 /nfs/dbraw/zinc/75/24/67/468752467.db2.gz HUOBGEPBNOHCGN-TZMCWYRMSA-N 1 0 345.403 2.360 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H]1C ZINC000601135626 468755920 /nfs/dbraw/zinc/75/59/20/468755920.db2.gz ICCDTMGCTOYJMU-IUCAKERBSA-N 1 0 335.330 2.266 10 5 EEBERO C[N@@H+]1CCN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000601161816 468766218 /nfs/dbraw/zinc/76/62/18/468766218.db2.gz UNEWQPZDYYTXLT-OAHLLOKOSA-N 1 0 330.363 2.492 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583866597 468767130 /nfs/dbraw/zinc/76/71/30/468767130.db2.gz YUXZLSQGGVWJDD-SFHVURJKSA-N 1 0 344.415 2.385 10 5 EEBERO CC[C@@H](C)[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601170846 468768784 /nfs/dbraw/zinc/76/87/84/468768784.db2.gz DMAMYVIQYHPVJY-SECBINFHSA-N 1 0 335.330 2.268 10 5 EEBERO COCCC[N@H+](C)CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601234996 468792127 /nfs/dbraw/zinc/79/21/27/468792127.db2.gz KQAOIGZYFVYQPD-UHFFFAOYSA-N 1 0 349.431 2.101 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595273976 468798601 /nfs/dbraw/zinc/79/86/01/468798601.db2.gz SYJCSDNKPGPAOR-UHFFFAOYSA-N 1 0 330.388 2.021 10 5 EEBERO Cc1c(NC(=O)CCN2CCC[C@@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601333189 468829513 /nfs/dbraw/zinc/82/95/13/468829513.db2.gz CDCGOWHUIWISMH-RHSMWYFYSA-N 1 0 346.431 2.306 10 5 EEBERO O=C(C[NH2+]C1(CCO)CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595509085 468882583 /nfs/dbraw/zinc/88/25/83/468882583.db2.gz OTWXDQJCKSFIQA-UHFFFAOYSA-N 1 0 341.795 2.472 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000598541530 468907438 /nfs/dbraw/zinc/90/74/38/468907438.db2.gz VCUPMCALURGIRT-OAHLLOKOSA-N 1 0 335.404 2.086 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595632332 468931616 /nfs/dbraw/zinc/93/16/16/468931616.db2.gz NPQDKSDVADOZQC-XYPHTWIQSA-N 1 0 338.404 2.129 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000595672526 468948476 /nfs/dbraw/zinc/94/84/76/468948476.db2.gz ADDGCUUHKZUMOQ-HOCLYGCPSA-N 1 0 346.387 2.363 10 5 EEBERO CC[C@@H](Cn1cncn1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000584868731 468952045 /nfs/dbraw/zinc/95/20/45/468952045.db2.gz KBDJSBYACVHUII-ZDUSSCGKSA-N 1 0 328.376 2.279 10 5 EEBERO CC[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000601782690 469022857 /nfs/dbraw/zinc/02/28/57/469022857.db2.gz ZVJUEPNKJRSGMB-WBVHZDCISA-N 1 0 337.420 2.039 10 5 EEBERO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000595848394 469041542 /nfs/dbraw/zinc/04/15/42/469041542.db2.gz ADLMCTVVIDZAIW-CQSZACIVSA-N 1 0 335.404 2.340 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905588 469074978 /nfs/dbraw/zinc/07/49/78/469074978.db2.gz DTMVBHIVVFECHS-MRXNPFEDSA-N 1 0 337.420 2.146 10 5 EEBERO CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596069476 469138406 /nfs/dbraw/zinc/13/84/06/469138406.db2.gz KQFRROPTKQHOPN-MGPQQGTHSA-N 1 0 338.404 2.270 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537583 469296232 /nfs/dbraw/zinc/29/62/32/469296232.db2.gz IALLQAQKCIAERT-AWEZNQCLSA-N 1 0 342.399 2.178 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000596566724 469302562 /nfs/dbraw/zinc/30/25/62/469302562.db2.gz JSSBYUPYZULVKJ-AWEZNQCLSA-N 1 0 345.403 2.085 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)n1 ZINC000191616613 529154620 /nfs/dbraw/zinc/15/46/20/529154620.db2.gz JHKGDUGSHHCNJW-UHFFFAOYSA-N 1 0 331.376 2.434 10 5 EEBERO Cc1nn(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761292169 577681298 /nfs/dbraw/zinc/68/12/98/577681298.db2.gz PHAQVLHDAXZZMY-HNNXBMFYSA-N 1 0 329.404 2.379 10 5 EEBERO Cc1ccccc1[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000741782293 578124028 /nfs/dbraw/zinc/12/40/28/578124028.db2.gz YAYBMVVWMUECFQ-KRWDZBQOSA-N 1 0 342.399 2.154 10 5 EEBERO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178865939 681282478 /nfs/dbraw/zinc/28/24/78/681282478.db2.gz GMWZKKGEDUMXBT-HIFRSBDPSA-N 1 0 336.388 2.292 10 5 EEBERO C[NH+]1CCC(OCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000923785463 681613011 /nfs/dbraw/zinc/61/30/11/681613011.db2.gz FTOHUHDWCIKQEK-UHFFFAOYSA-N 1 0 342.779 2.402 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cscn1 ZINC001268438181 1182611810 /nfs/dbraw/zinc/61/18/10/1182611810.db2.gz FHICSXZZDGLVGO-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO Cc1cnoc1C(=O)N(C)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC001482640228 1187467136 /nfs/dbraw/zinc/46/71/36/1187467136.db2.gz ASUPQNKNSKMFAD-UHFFFAOYSA-N 1 0 332.360 2.095 10 5 EEBERO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1nccs1 ZINC001483499732 1190514177 /nfs/dbraw/zinc/51/41/77/1190514177.db2.gz WOQTYFFYLQGGMP-UHFFFAOYSA-N 1 0 340.430 2.365 10 5 EEBERO COCC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001485443651 1191786922 /nfs/dbraw/zinc/78/69/22/1191786922.db2.gz NBKSYWDUPMUWEJ-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO CCc1nc(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)co1 ZINC001272950297 1194113979 /nfs/dbraw/zinc/11/39/79/1194113979.db2.gz MSWXHGUCPPUDRS-UHFFFAOYSA-N 1 0 341.327 2.261 10 5 EEBERO C[C@H](NCCC[NH+]1CCC(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026135 1198030069 /nfs/dbraw/zinc/03/00/69/1198030069.db2.gz BLTXVWLMSLNMRE-LBPRGKRZSA-N 1 0 325.384 2.231 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CNc1cc2n(n1)CC[N@H+](C)C2 ZINC000865844320 1198399969 /nfs/dbraw/zinc/39/99/69/1198399969.db2.gz IXSDPWABTIWJML-UHFFFAOYSA-N 1 0 331.376 2.248 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000865998247 1198449636 /nfs/dbraw/zinc/44/96/36/1198449636.db2.gz ABZKDFLCUBYREN-LBPRGKRZSA-N 1 0 330.388 2.400 10 5 EEBERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000874827782 1199022530 /nfs/dbraw/zinc/02/25/30/1199022530.db2.gz UDCHRVBDJIGCEV-VVLHAWIVSA-N 1 0 329.400 2.393 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000870993423 1200996222 /nfs/dbraw/zinc/99/62/22/1200996222.db2.gz YQGCLWAATLWORZ-QGZVFWFLSA-N 1 0 335.404 2.441 10 5 EEBERO C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC1(C)C ZINC000871152058 1201071463 /nfs/dbraw/zinc/07/14/63/1201071463.db2.gz MATMRYFMUQNJLM-UHFFFAOYSA-N 1 0 331.376 2.027 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1CCO ZINC000866367042 1201501373 /nfs/dbraw/zinc/50/13/73/1201501373.db2.gz VAZWETQIDSOFME-BBRMVZONSA-N 1 0 339.411 2.101 10 5 EEBERO CC1(C)CC[NH2+]CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866699491 1201583184 /nfs/dbraw/zinc/58/31/84/1201583184.db2.gz IGWLECHYJIUIDJ-UHFFFAOYSA-N 1 0 340.811 2.261 10 5 EEBERO C[C@]([NH3+])(C(=O)NCCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000867987596 1201721178 /nfs/dbraw/zinc/72/11/78/1201721178.db2.gz PDMWKJYRSQWQMU-CQSZACIVSA-N 1 0 341.458 2.081 10 5 EEBERO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762143 1206151769 /nfs/dbraw/zinc/15/17/69/1206151769.db2.gz HWNDUQWNEDHIBB-CABZTGNLSA-N 1 0 328.210 2.445 10 5 EEBERO O=[N+]([O-])c1cccc(OCCN2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931290735 1206622502 /nfs/dbraw/zinc/62/25/02/1206622502.db2.gz DKFUCIMRHHBCBH-UHFFFAOYSA-N 1 0 349.431 2.160 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801884596 1236350592 /nfs/dbraw/zinc/35/05/92/1236350592.db2.gz UHXAYGPJTSAINE-GHMZBOCLSA-N 1 0 338.383 2.309 10 5 EEBERO CN1C[C@H](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000903215628 1240027841 /nfs/dbraw/zinc/02/78/41/1240027841.db2.gz MBFKJIGXOQUZBS-CZUORRHYSA-N 1 0 331.416 2.374 10 5 EEBERO Cc1ccc(CNC(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC001234571416 1304973751 /nfs/dbraw/zinc/97/37/51/1304973751.db2.gz USQAOLYNPAJIFP-UHFFFAOYSA-N 1 0 334.420 2.386 10 5 EEBERO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000852321448 1292092144 /nfs/dbraw/zinc/09/21/44/1292092144.db2.gz NTKDVYPGOHKIFF-CQSZACIVSA-N 1 0 339.348 2.034 10 5 EEBERO Cc1ccc(NCCCNC(=O)C=C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000852845275 1292214767 /nfs/dbraw/zinc/21/47/67/1292214767.db2.gz GCLVPNHLUMFLFJ-UHFFFAOYSA-N 1 0 332.404 2.131 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000855166917 1293097729 /nfs/dbraw/zinc/09/77/29/1293097729.db2.gz SMERBBWGMPBYHJ-ZDUSSCGKSA-N 1 0 334.420 2.263 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855166170 1293097776 /nfs/dbraw/zinc/09/77/76/1293097776.db2.gz DPDXDPGZTIVUEB-LLVKDONJSA-N 1 0 336.348 2.106 10 5 EEBERO [NH3+]CC[C@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764939 1293910790 /nfs/dbraw/zinc/91/07/90/1293910790.db2.gz FNLROGZRFOXGCL-LLVKDONJSA-N 1 0 343.330 2.154 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001118290349 1306335697 /nfs/dbraw/zinc/33/56/97/1306335697.db2.gz KARLPQJRHCKOBA-BBRMVZONSA-N 1 0 334.372 2.382 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001263995681 1322580635 /nfs/dbraw/zinc/58/06/35/1322580635.db2.gz JMXYKGNLEJFVGT-RRQGHBQHSA-N 1 0 346.431 2.243 10 5 EEBERO Cc1cccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001492194442 1331081262 /nfs/dbraw/zinc/08/12/62/1331081262.db2.gz WEGLPSQEWAXMFI-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CCc1ncoc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001322690750 1333308030 /nfs/dbraw/zinc/30/80/30/1333308030.db2.gz OIIWGMDOYYBZRP-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CCOCC(=O)NCC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001324840197 1333770808 /nfs/dbraw/zinc/77/08/08/1333770808.db2.gz GAUXHBPDHZBLSX-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO O=[N+]([O-])c1ccn(C2CC[NH+](CCOC3CCSCC3)CC2)n1 ZINC001333003438 1335945472 /nfs/dbraw/zinc/94/54/72/1335945472.db2.gz DIWBEJKDEMSSAK-UHFFFAOYSA-N 1 0 340.449 2.340 10 5 EEBERO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001606973054 1351388570 /nfs/dbraw/zinc/38/85/70/1351388570.db2.gz ZPQYVZQCKCYGHT-KGLIPLIRSA-N 1 0 348.403 2.030 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC001625268247 1352444209 /nfs/dbraw/zinc/44/42/09/1352444209.db2.gz YURUUZOXKIVDFG-OAHLLOKOSA-N 1 0 342.399 2.201 10 5 EEBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1(C)C ZINC001627284287 1352490320 /nfs/dbraw/zinc/49/03/20/1352490320.db2.gz FQVQFERIRLMGSW-NWDGAFQWSA-N 1 0 340.811 2.289 10 5 EEBERO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001650804906 1354030183 /nfs/dbraw/zinc/03/01/83/1354030183.db2.gz JUNRBJSRVBRFEX-CQSZACIVSA-N 1 0 326.356 2.133 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001655886854 1354188813 /nfs/dbraw/zinc/18/88/13/1354188813.db2.gz UFSKJPZZSKICAO-OAHLLOKOSA-N 1 0 349.387 2.233 10 5 EEBERO Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001663193653 1354933950 /nfs/dbraw/zinc/93/39/50/1354933950.db2.gz ZIXITFOXJJDQIO-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO CCc1ccnc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001663947833 1355059915 /nfs/dbraw/zinc/05/99/15/1355059915.db2.gz HYZYAYDEBBBAPT-UHFFFAOYSA-N 1 0 348.428 2.476 10 5 EEBERO CC1(C(=O)N(CCO)CC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001672654884 1356562918 /nfs/dbraw/zinc/56/29/18/1356562918.db2.gz TXTXZUZOFHFESB-UHFFFAOYSA-N 1 0 349.431 2.086 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1cccs1 ZINC001135625372 784118937 /nfs/dbraw/zinc/11/89/37/784118937.db2.gz ZYXPFXJQHJDZLB-ZETCQYMHSA-N 1 0 343.796 2.066 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000908350444 785342113 /nfs/dbraw/zinc/34/21/13/785342113.db2.gz YUTUZLMQVKNVQM-IUODEOHRSA-N 1 0 337.807 2.343 10 5 EEBERO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301709 789337127 /nfs/dbraw/zinc/33/71/27/789337127.db2.gz MUWKPOROTAOUCM-ZDUSSCGKSA-N 1 0 325.796 2.059 10 5 EEBERO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c([N+](=O)[O-])c1 ZINC001174965136 797950773 /nfs/dbraw/zinc/95/07/73/797950773.db2.gz JREKZSGUTXKNPQ-CYBMUJFWSA-N 1 0 346.347 2.322 10 5 EEBERO C[C@@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC[N@@H+]1C1CCCC1 ZINC001177712717 799089005 /nfs/dbraw/zinc/08/90/05/799089005.db2.gz JHAOKACXOYSGOM-SECBINFHSA-N 1 0 341.799 2.060 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+](C)C)CC1 ZINC000827636180 800495006 /nfs/dbraw/zinc/49/50/06/800495006.db2.gz ZADHMEUOERAELG-ZDUSSCGKSA-N 1 0 334.420 2.338 10 5 EEBERO O=C(NCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccn[nH]1 ZINC001566581687 1125764702 /nfs/dbraw/zinc/76/47/02/1125764702.db2.gz UBCNLPRTZRQUHF-UHFFFAOYSA-N 1 0 343.387 2.102 10 5 EEBERO CCc1cc(C(=O)NCC[N@@H+](CC)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001493045328 1107384014 /nfs/dbraw/zinc/38/40/14/1107384014.db2.gz PNXCHJPWRIEODE-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CC(C)Oc1cc(C(=O)N[C@@H]2C[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC001456172450 1109109739 /nfs/dbraw/zinc/10/97/39/1109109739.db2.gz FCJOVNJKODQDHB-OAHLLOKOSA-N 1 0 335.404 2.452 10 5 EEBERO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001470338721 1110505069 /nfs/dbraw/zinc/50/50/69/1110505069.db2.gz LMWGHZYKKCMHGO-GFCCVEGCSA-N 1 0 348.359 2.040 10 5 EEBERO O=C([C@H]1CCN(c2cc[nH+]cc2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001472521869 1110558000 /nfs/dbraw/zinc/55/80/00/1110558000.db2.gz NZZRXBAAYLAAED-AWEZNQCLSA-N 1 0 338.367 2.359 10 5 EEBERO C[N@@H+]1CC[C@@H](CCOC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001519560605 1119088966 /nfs/dbraw/zinc/08/89/66/1119088966.db2.gz PEMYXFBKFOOAMR-VIFPVBQESA-N 1 0 327.768 2.329 10 5 EEBERO Cc1nscc1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001568838376 1124856696 /nfs/dbraw/zinc/85/66/96/1124856696.db2.gz KBUPDBDWJMOLSR-IHWYPQMZSA-N 1 0 346.412 2.436 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000066533148 215051201 /nfs/dbraw/zinc/05/12/01/215051201.db2.gz KWHBRGOUTNRERH-UHFFFAOYSA-N 1 0 346.431 2.402 10 5 EEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000068224288 215291568 /nfs/dbraw/zinc/29/15/68/215291568.db2.gz IQGUMAWFRLIWFA-CQSZACIVSA-N 1 0 337.420 2.456 10 5 EEBERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000230134714 283588995 /nfs/dbraw/zinc/58/89/95/283588995.db2.gz YYAQSRFZIBYVMI-PTOFAABTSA-N 1 0 341.209 2.316 10 5 EEBERO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000117399300 221061541 /nfs/dbraw/zinc/06/15/41/221061541.db2.gz RZRJQMXOKICOFO-CQSZACIVSA-N 1 0 336.392 2.169 10 5 EEBERO CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117792394 221089660 /nfs/dbraw/zinc/08/96/60/221089660.db2.gz GTYOATUQPYBNOY-LBPRGKRZSA-N 1 0 325.796 2.391 10 5 EEBERO CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000270861349 256180879 /nfs/dbraw/zinc/18/08/79/256180879.db2.gz JXFJVQMSLLCHPV-HIFRSBDPSA-N 1 0 343.374 2.290 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181355236 143841481 /nfs/dbraw/zinc/84/14/81/143841481.db2.gz RDLHJHWJJOCAPN-CYBMUJFWSA-N 1 0 349.387 2.174 10 5 EEBERO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000116249220 152044576 /nfs/dbraw/zinc/04/45/76/152044576.db2.gz UVAINDCFHXYUJY-JSGCOSHPSA-N 1 0 344.371 2.223 10 5 EEBERO CCOc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000190741161 152220673 /nfs/dbraw/zinc/22/06/73/152220673.db2.gz HKJFIGRMBJTVGL-CYBMUJFWSA-N 1 0 333.388 2.350 10 5 EEBERO CC1(C)CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261647218 160405126 /nfs/dbraw/zinc/40/51/26/160405126.db2.gz DXHRZCVPCBHRIU-ZDUSSCGKSA-N 1 0 340.811 2.246 10 5 EEBERO CCOc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246814594 160295730 /nfs/dbraw/zinc/29/57/30/160295730.db2.gz DIRZJLILMSZBLS-OCCSQVGLSA-N 1 0 335.404 2.452 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CO)c1ccsc1 ZINC000352022993 162033083 /nfs/dbraw/zinc/03/30/83/162033083.db2.gz SSJRRJPZTQBUIG-CQSZACIVSA-N 1 0 335.385 2.226 10 5 EEBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](CCO)CC1CC1 ZINC000352491933 162155902 /nfs/dbraw/zinc/15/59/02/162155902.db2.gz SZDXITZNOILKLS-NSHDSACASA-N 1 0 332.360 2.410 10 5 EEBERO CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352915332 162344700 /nfs/dbraw/zinc/34/47/00/162344700.db2.gz QIARFRYAJNGXAV-CQSZACIVSA-N 1 0 329.784 2.183 10 5 EEBERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000359036531 164043263 /nfs/dbraw/zinc/04/32/63/164043263.db2.gz IIMVZRLBPGJZHO-NSHDSACASA-N 1 0 343.330 2.410 10 5 EEBERO C[C@@H](C[NH3+])CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000420213224 274213684 /nfs/dbraw/zinc/21/36/84/274213684.db2.gz HJSSPHRFMHJZMD-QMMMGPOBSA-N 1 0 339.193 2.334 10 5 EEBERO O=C1[C@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000341996950 275030164 /nfs/dbraw/zinc/03/01/64/275030164.db2.gz TXRPRLMNUKCDAE-SJLPKXTDSA-N 1 0 345.399 2.203 10 5 EEBERO CCO[C@H](CC[NH+](C)C)CNC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000183075246 276484801 /nfs/dbraw/zinc/48/48/01/276484801.db2.gz DNFVTEIWSCSPGJ-ABDJAZHISA-N 1 0 349.431 2.471 10 5 EEBERO CN(C(=O)NCCc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417949582 313664221 /nfs/dbraw/zinc/66/42/21/313664221.db2.gz VETAILRXCIWUBT-MZBDJJRSSA-N 1 0 332.404 2.062 10 5 EEBERO CNC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000420959852 314010027 /nfs/dbraw/zinc/01/00/27/314010027.db2.gz FRFJSWPGVXEZKF-SECBINFHSA-N 1 0 331.294 2.182 10 5 EEBERO Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2c([nH+]1)CCCC2 ZINC000515300717 316477077 /nfs/dbraw/zinc/47/70/77/316477077.db2.gz XUTTVFGXRWVRGW-UHFFFAOYSA-N 1 0 347.396 2.400 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000563760936 319042182 /nfs/dbraw/zinc/04/21/82/319042182.db2.gz CFSRZZNYPCAAJK-CYBMUJFWSA-N 1 0 343.811 2.071 10 5 EEBERO [NH3+]CC12CCC(CC1)CN2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000565667267 319203525 /nfs/dbraw/zinc/20/35/25/319203525.db2.gz RCXACOKMKIKTEI-UHFFFAOYSA-N 1 0 332.404 2.127 10 5 EEBERO O=[N+]([O-])c1c(NC[C@@H]2CCCC[N@H+]2CCO)ccc2ncccc21 ZINC000574759028 320054529 /nfs/dbraw/zinc/05/45/29/320054529.db2.gz MQNGNNMIEBZLLV-ZDUSSCGKSA-N 1 0 330.388 2.402 10 5 EEBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCN(CC(F)(F)F)CC1 ZINC000339159965 465115028 /nfs/dbraw/zinc/11/50/28/465115028.db2.gz NNEVJVVKPHTHBI-NSHDSACASA-N 1 0 349.357 2.044 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590767525 468333843 /nfs/dbraw/zinc/33/38/43/468333843.db2.gz OVGDAHQYADHSND-ZANVPECISA-N 1 0 343.305 2.390 10 5 EEBERO CN(C[C@H]1CC[N@H+](C)C1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000071193061 463411766 /nfs/dbraw/zinc/41/17/66/463411766.db2.gz QMBSMSDTJDRYRP-VIFPVBQESA-N 1 0 329.198 2.140 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000058561960 463608861 /nfs/dbraw/zinc/60/88/61/463608861.db2.gz NYOHXKRBKUKAAW-ZDUSSCGKSA-N 1 0 341.433 2.056 10 5 EEBERO COC(=O)C1=NOC2(C1)CC[NH+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000185095747 463751411 /nfs/dbraw/zinc/75/14/11/463751411.db2.gz DRSBRCAGTNJAHH-GFCCVEGCSA-N 1 0 347.371 2.440 10 5 EEBERO COc1cccc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000185367855 463810904 /nfs/dbraw/zinc/81/09/04/463810904.db2.gz XSZYKGYUZOTDKP-ZDUSSCGKSA-N 1 0 337.420 2.132 10 5 EEBERO COc1cccc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000185386955 463813207 /nfs/dbraw/zinc/81/32/07/463813207.db2.gz XFQNIBJKMLEJAO-OAHLLOKOSA-N 1 0 348.447 2.210 10 5 EEBERO C[C@@H]([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000271698251 464365383 /nfs/dbraw/zinc/36/53/83/464365383.db2.gz GVBFIVFGBWQMMF-GFCCVEGCSA-N 1 0 346.387 2.110 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000284961087 464407235 /nfs/dbraw/zinc/40/72/35/464407235.db2.gz KEODNFSCPYFJKR-CVEARBPZSA-N 1 0 328.372 2.052 10 5 EEBERO O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000294741607 464592583 /nfs/dbraw/zinc/59/25/83/464592583.db2.gz HEVDLGYVASFAJF-WCQYABFASA-N 1 0 331.397 2.437 10 5 EEBERO Cc1c(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000182856778 464743564 /nfs/dbraw/zinc/74/35/64/464743564.db2.gz AZOVHGCZLDXUMP-LBPRGKRZSA-N 1 0 349.412 2.401 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249080693 464837888 /nfs/dbraw/zinc/83/78/88/464837888.db2.gz SLQQFBZWUOYORY-AGGWBTHJSA-N 1 0 335.404 2.466 10 5 EEBERO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc([N+](=O)[O-])c1 ZINC000593919264 468433953 /nfs/dbraw/zinc/43/39/53/468433953.db2.gz PPEPFJUXWOROAU-DJIMGWMZSA-N 1 0 347.415 2.404 10 5 EEBERO C[C@@H]1C[C@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC[N@@H+]1C ZINC000597103981 468444638 /nfs/dbraw/zinc/44/46/38/468444638.db2.gz OPEOSWQUBVFERR-PSASIEDQSA-N 1 0 341.799 2.435 10 5 EEBERO COc1cccc(N2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000337888745 465657760 /nfs/dbraw/zinc/65/77/60/465657760.db2.gz XWSKHXZBSZPQLH-AWEZNQCLSA-N 1 0 341.367 2.499 10 5 EEBERO CNC(=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000361645957 466174229 /nfs/dbraw/zinc/17/42/29/466174229.db2.gz GDMKOSBJIZHERQ-QGZVFWFLSA-N 1 0 343.383 2.441 10 5 EEBERO O=[N+]([O-])c1cnccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000340897405 466417576 /nfs/dbraw/zinc/41/75/76/466417576.db2.gz HAQKEAIPWAIQIF-MRXNPFEDSA-N 1 0 342.399 2.115 10 5 EEBERO O=C(NCCc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000370185966 466791257 /nfs/dbraw/zinc/79/12/57/466791257.db2.gz SDFFIVRSVIDPSE-UHFFFAOYSA-N 1 0 346.431 2.453 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000418117912 467049753 /nfs/dbraw/zinc/04/97/53/467049753.db2.gz SECKYRMOPKJHBE-RYUDHWBXSA-N 1 0 327.812 2.135 10 5 EEBERO [NH3+]CC[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])C(F)F ZINC000383389183 467380693 /nfs/dbraw/zinc/38/06/93/467380693.db2.gz OJTBIPHFMJMLHP-LURJTMIESA-N 1 0 325.113 2.147 10 5 EEBERO COC(=O)[C@H]1CSCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414569630 467421137 /nfs/dbraw/zinc/42/11/37/467421137.db2.gz PUVICLMWBOJIBV-KXQLTZBTSA-N 1 0 336.413 2.446 10 5 EEBERO CO[C@]1(CO)CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000401858570 467464794 /nfs/dbraw/zinc/46/47/94/467464794.db2.gz BZVIBYJYDWPULK-QGZVFWFLSA-N 1 0 331.372 2.429 10 5 EEBERO C[C@@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000449935948 467747099 /nfs/dbraw/zinc/74/70/99/467747099.db2.gz AQUCSQRSDPXKFP-GFCCVEGCSA-N 1 0 344.371 2.014 10 5 EEBERO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000532143447 468100717 /nfs/dbraw/zinc/10/07/17/468100717.db2.gz GSRMUKWOGCLRQC-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000589501267 468157790 /nfs/dbraw/zinc/15/77/90/468157790.db2.gz HPMIHSXBHIIUFD-UHFFFAOYSA-N 1 0 334.372 2.384 10 5 EEBERO Cc1ccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600409849 468549712 /nfs/dbraw/zinc/54/97/12/468549712.db2.gz HWZOQOJOEZRWSH-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO Cc1cc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000591985054 468589930 /nfs/dbraw/zinc/58/99/30/468589930.db2.gz BEHSDSKJLVLLGH-CVEARBPZSA-N 1 0 326.400 3.056 10 5 EEBERO COc1c(C)cccc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000594576825 468625049 /nfs/dbraw/zinc/62/50/49/468625049.db2.gz AVFCHVVYMZDYFN-OAHLLOKOSA-N 1 0 346.383 2.441 10 5 EEBERO [NH3+][C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC000592563291 468730166 /nfs/dbraw/zinc/73/01/66/468730166.db2.gz SVVFGLLVDVZJRM-HNNXBMFYSA-N 1 0 346.774 2.228 10 5 EEBERO COC[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000594954566 468730848 /nfs/dbraw/zinc/73/08/48/468730848.db2.gz HVFSPQYCUVLFMD-MRXNPFEDSA-N 1 0 348.403 2.136 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCSCC2)cc1 ZINC000595032003 468745702 /nfs/dbraw/zinc/74/57/02/468745702.db2.gz KUOPACDFQHMVEA-GFCCVEGCSA-N 1 0 344.458 2.244 10 5 EEBERO CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598040125 468746234 /nfs/dbraw/zinc/74/62/34/468746234.db2.gz CUCAILNRJOHQSZ-CQSZACIVSA-N 1 0 335.404 2.089 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000595069659 468752154 /nfs/dbraw/zinc/75/21/54/468752154.db2.gz POEAGSVXOBXJNS-ZWNOBZJWSA-N 1 0 343.330 2.326 10 5 EEBERO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000601131422 468754919 /nfs/dbraw/zinc/75/49/19/468754919.db2.gz KBEOZMAISLEHBL-CQSZACIVSA-N 1 0 338.383 2.210 10 5 EEBERO COc1ccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000595248433 468792985 /nfs/dbraw/zinc/79/29/85/468792985.db2.gz HHHAUHVWUQCHLL-OAHLLOKOSA-N 1 0 341.367 2.454 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000593075130 468860786 /nfs/dbraw/zinc/86/07/86/468860786.db2.gz LIPPXQWUMYTGHY-IUODEOHRSA-N 1 0 337.395 2.465 10 5 EEBERO COc1cc(C(=O)NCCC[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1F ZINC000593205631 468903867 /nfs/dbraw/zinc/90/38/67/468903867.db2.gz KDTVWLQUVXDZFG-UHFFFAOYSA-N 1 0 341.383 2.450 10 5 EEBERO C[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000610478426 468980034 /nfs/dbraw/zinc/98/00/34/468980034.db2.gz XVADPNZYBRJIIU-LBPRGKRZSA-N 1 0 346.391 2.236 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595742736 468983432 /nfs/dbraw/zinc/98/34/32/468983432.db2.gz KTFJFZHSHFGJKF-STQMWFEESA-N 1 0 335.404 2.181 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@](O)(C4CC4)C3)o2)cc1 ZINC000595753275 468990563 /nfs/dbraw/zinc/99/05/63/468990563.db2.gz XYCQDHMGZFWCRL-QGZVFWFLSA-N 1 0 344.371 2.382 10 5 EEBERO CCOC(=O)c1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)on1 ZINC000602658100 468993938 /nfs/dbraw/zinc/99/39/38/468993938.db2.gz JEUCTNYCHZIKDI-UHFFFAOYSA-N 1 0 333.344 2.434 10 5 EEBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000601743596 469000523 /nfs/dbraw/zinc/00/05/23/469000523.db2.gz CDPILICYAMYRRB-UHFFFAOYSA-N 1 0 349.435 2.117 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000601771982 469016388 /nfs/dbraw/zinc/01/63/88/469016388.db2.gz HFGITUGSDSIMPL-UHFFFAOYSA-N 1 0 347.350 2.449 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)ccc1[N+](=O)[O-] ZINC000595849043 469041645 /nfs/dbraw/zinc/04/16/45/469041645.db2.gz DPMSIQSGWLPWTH-AWEZNQCLSA-N 1 0 335.404 2.340 10 5 EEBERO [NH3+]C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595903248 469074207 /nfs/dbraw/zinc/07/42/07/469074207.db2.gz OOPBBIXFUCFEQY-CQSZACIVSA-N 1 0 340.383 2.313 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)[C@H]3CCCO3)o2)c1 ZINC000598989859 469078937 /nfs/dbraw/zinc/07/89/37/469078937.db2.gz DIJVLWCOYOUVMH-DOTOQJQBSA-N 1 0 332.356 2.484 10 5 EEBERO CC[NH+](CC)CC1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587295714 469087785 /nfs/dbraw/zinc/08/77/85/469087785.db2.gz HHRYLILEMUPFRN-UHFFFAOYSA-N 1 0 336.436 2.228 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595961353 469098520 /nfs/dbraw/zinc/09/85/20/469098520.db2.gz KOYQEPSWKJSKGO-MRXNPFEDSA-N 1 0 331.416 2.376 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)N[C@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000595993026 469108701 /nfs/dbraw/zinc/10/87/01/469108701.db2.gz VENPHEKNXRYPMX-SCLBCKFNSA-N 1 0 346.431 2.313 10 5 EEBERO C[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000596066334 469137058 /nfs/dbraw/zinc/13/70/58/469137058.db2.gz CTRWEMOARWUJGJ-DHSIGJKJSA-N 1 0 346.383 2.046 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000617413971 469671970 /nfs/dbraw/zinc/67/19/70/469671970.db2.gz WZJNGWZSUQCMCA-OAHLLOKOSA-N 1 0 349.434 2.365 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000175013842 529303730 /nfs/dbraw/zinc/30/37/30/529303730.db2.gz BLYMHMIAQBXGSS-LSDHHAIUSA-N 1 0 347.415 2.449 10 5 EEBERO C/C(=C\C(=O)NC[C@@H](C)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752423332 577770788 /nfs/dbraw/zinc/77/07/88/577770788.db2.gz MUNCOHJEZSVOAR-XDPMZMSMSA-N 1 0 347.415 2.083 10 5 EEBERO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)nc1-c1ccncc1 ZINC000756885011 577852310 /nfs/dbraw/zinc/85/23/10/577852310.db2.gz JSASTGBWMAPGPL-GJZGRUSLSA-N 1 0 343.387 2.312 10 5 EEBERO C[NH+]1CCC(OCC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000923789198 682336910 /nfs/dbraw/zinc/33/69/10/682336910.db2.gz SRTTZXXNUSKBNT-UHFFFAOYSA-N 1 0 342.779 2.402 10 5 EEBERO C[N@@H+]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000905087457 694519820 /nfs/dbraw/zinc/51/98/20/694519820.db2.gz NQRVRXKPMSKQJE-UHFFFAOYSA-N 1 0 325.796 2.345 10 5 EEBERO CCN(CCNC(=O)c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC001266372465 1176440045 /nfs/dbraw/zinc/44/00/45/1176440045.db2.gz ZXJOGLOTEJHKLA-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)COC1CCCC1 ZINC001266648457 1177051306 /nfs/dbraw/zinc/05/13/06/1177051306.db2.gz AJVSDKHPDVJIKF-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC001268525952 1183179410 /nfs/dbraw/zinc/17/94/10/1183179410.db2.gz UANDLAJOPSCHHG-ARJAWSKDSA-N 1 0 344.346 2.205 10 5 EEBERO Cc1ncsc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001493484198 1190547835 /nfs/dbraw/zinc/54/78/35/1190547835.db2.gz AZSKQVRQYIISSA-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO Cc1ocnc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001484627076 1191447831 /nfs/dbraw/zinc/44/78/31/1191447831.db2.gz KFGGBGWGQASVBE-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872075096 1198040652 /nfs/dbraw/zinc/04/06/52/1198040652.db2.gz OAJNPYCPCGGOJD-CHWSQXEVSA-N 1 0 325.384 2.231 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825760597 1199118729 /nfs/dbraw/zinc/11/87/29/1199118729.db2.gz KBSSVWPBMCGCCI-ZENOOKHLSA-N 1 0 335.404 2.007 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000810044378 1199219426 /nfs/dbraw/zinc/21/94/26/1199219426.db2.gz WLVWVFHZQRJCLQ-UHFFFAOYSA-N 1 0 336.797 2.299 10 5 EEBERO C[NH+]1CCC2(CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866055011 1201415984 /nfs/dbraw/zinc/41/59/84/1201415984.db2.gz LQCSULBASOOGLU-UHFFFAOYSA-N 1 0 332.404 2.006 10 5 EEBERO C[C@H]1[C@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@@H+]1C ZINC000928455129 1206386759 /nfs/dbraw/zinc/38/67/59/1206386759.db2.gz SOIFIRDUPWLTIM-WMLDXEAASA-N 1 0 349.434 2.364 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000931261598 1206619865 /nfs/dbraw/zinc/61/98/65/1206619865.db2.gz CJPWAIYIALNLBH-BXUZGUMPSA-N 1 0 334.376 2.161 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931309620 1206623570 /nfs/dbraw/zinc/62/35/70/1206623570.db2.gz DXTCLVQMRUZGSK-XWIAVFTESA-N 1 0 346.431 2.195 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933392588 1207765012 /nfs/dbraw/zinc/76/50/12/1207765012.db2.gz MQUGBISRENRAMY-YVEFUNNKSA-N 1 0 331.372 2.143 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000047142636 1208398969 /nfs/dbraw/zinc/39/89/69/1208398969.db2.gz AYSMPSLLSCJOHL-NSHDSACASA-N 1 0 336.348 2.107 10 5 EEBERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000903590141 1241089568 /nfs/dbraw/zinc/08/95/68/1241089568.db2.gz PUECRKYATDGSGK-UHFFFAOYSA-N 1 0 349.840 2.175 10 5 EEBERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CS1(=O)=O ZINC000827165563 1250333575 /nfs/dbraw/zinc/33/35/75/1250333575.db2.gz ZMQYCTPFHCHPAI-KOLCDFICSA-N 1 0 332.809 2.304 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC001198685332 1285296390 /nfs/dbraw/zinc/29/63/90/1285296390.db2.gz IYTKUGGGMADADO-GOEBONIOSA-N 1 0 333.388 2.227 10 5 EEBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000853688255 1292438750 /nfs/dbraw/zinc/43/87/50/1292438750.db2.gz KMUZYMBDEWROHL-UHFFFAOYSA-N 1 0 347.415 2.489 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000853990163 1292573049 /nfs/dbraw/zinc/57/30/49/1292573049.db2.gz JOKHZSBTMMFHHG-ZDUSSCGKSA-N 1 0 338.364 2.050 10 5 EEBERO C[C@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000857764755 1293910755 /nfs/dbraw/zinc/91/07/55/1293910755.db2.gz ZUFWXEQAWPFILJ-WDEREUQCSA-N 1 0 343.330 2.071 10 5 EEBERO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001118914536 1308958752 /nfs/dbraw/zinc/95/87/52/1308958752.db2.gz AMUJOQYBJYEWKP-CVEARBPZSA-N 1 0 347.415 2.011 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC001123943152 1310769600 /nfs/dbraw/zinc/76/96/00/1310769600.db2.gz LXQWWQCBYKVTHZ-GFCCVEGCSA-N 1 0 349.435 2.359 10 5 EEBERO CCN(OC)C(=O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000843430526 1315914147 /nfs/dbraw/zinc/91/41/47/1315914147.db2.gz LZJSCZLJZYOPKO-DZGCQCFKSA-N 1 0 335.404 2.306 10 5 EEBERO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001161000182 1320349833 /nfs/dbraw/zinc/34/98/33/1320349833.db2.gz GULLKNMNVJZACF-LLVKDONJSA-N 1 0 336.348 2.059 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cnc(C)o1 ZINC001320755498 1332945957 /nfs/dbraw/zinc/94/59/57/1332945957.db2.gz CLYRJTDXWUNCCC-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO Cc1cnccc1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001321055298 1333007383 /nfs/dbraw/zinc/00/73/83/1333007383.db2.gz SMVLXPXHTRXDTD-SNAWJCMRSA-N 1 0 340.383 2.374 10 5 EEBERO CN(CCC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322505914 1333273504 /nfs/dbraw/zinc/27/35/04/1333273504.db2.gz TWEDFXLRFXRGHD-IAGOWNOFSA-N 1 0 331.416 2.167 10 5 EEBERO Cc1ncsc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001323393398 1333454333 /nfs/dbraw/zinc/45/43/33/1333454333.db2.gz HJMLQCCKNLYOPD-UHFFFAOYSA-N 1 0 346.412 2.412 10 5 EEBERO C[C@H]([NH2+][C@H](CCO)C1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001620616841 1352360868 /nfs/dbraw/zinc/36/08/68/1352360868.db2.gz MAJUQEGEWVGHRY-BLLLJJGKSA-N 1 0 335.404 2.453 10 5 EEBERO O=C(CC[N@@H+]1CC[C@H](c2cnccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001620617849 1344554416 /nfs/dbraw/zinc/55/44/16/1344554416.db2.gz QWZGBZDFRAQHKX-ZDUSSCGKSA-N 1 0 341.371 2.203 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001625325149 1352446005 /nfs/dbraw/zinc/44/60/05/1352446005.db2.gz JAAAPHNOFOLTPM-UHFFFAOYSA-N 1 0 334.420 2.492 10 5 EEBERO CCOCC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001660761234 1354533731 /nfs/dbraw/zinc/53/37/31/1354533731.db2.gz NZFIHUQOBMZLFG-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1cscn1 ZINC001670270903 1356308487 /nfs/dbraw/zinc/30/84/87/1356308487.db2.gz BCJVYJWWGUOASH-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC001143499090 765068268 /nfs/dbraw/zinc/06/82/68/765068268.db2.gz GNFKXRLSTHVZJA-AWEZNQCLSA-N 1 0 332.404 2.268 10 5 EEBERO [NH3+][C@H]1CCCc2cn(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc21 ZINC000818618896 785304053 /nfs/dbraw/zinc/30/40/53/785304053.db2.gz USVZHQZVSOEHKN-LBPRGKRZSA-N 1 0 349.778 2.420 10 5 EEBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819106950 785405260 /nfs/dbraw/zinc/40/52/60/785405260.db2.gz RREFOPQNLWFPBG-GTNSWQLSSA-N 1 0 332.404 2.199 10 5 EEBERO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)n1C ZINC000823093881 787540694 /nfs/dbraw/zinc/54/06/94/787540694.db2.gz JOJRAUTUPIRXCU-AXFHLTTASA-N 1 0 332.364 2.280 10 5 EEBERO C[C@@]1(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[NH+]2CCC1CC2 ZINC000912377178 788150232 /nfs/dbraw/zinc/15/02/32/788150232.db2.gz CUBCSKQLYIPHGL-QGZVFWFLSA-N 1 0 328.372 2.290 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000912815589 788391465 /nfs/dbraw/zinc/39/14/65/788391465.db2.gz NYLHQAQZSJMEOV-BLLLJJGKSA-N 1 0 334.420 2.491 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000844655584 789277721 /nfs/dbraw/zinc/27/77/21/789277721.db2.gz LYOXGIXUGGXABI-UHFFFAOYSA-N 1 0 338.364 2.211 10 5 EEBERO CCON(C)C(=O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000846064937 790050598 /nfs/dbraw/zinc/05/05/98/790050598.db2.gz OFZIWTDUMUCZLI-HIFRSBDPSA-N 1 0 335.404 2.306 10 5 EEBERO CCO[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1C[NH3+] ZINC000846307884 790127640 /nfs/dbraw/zinc/12/76/40/790127640.db2.gz AGSJTLFXDOTGQE-BXKDBHETSA-N 1 0 342.783 2.076 10 5 EEBERO O=C(NC12CC[NH+](CC1)C2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000913631685 793991760 /nfs/dbraw/zinc/99/17/60/793991760.db2.gz YNERZPKEDAUSNR-UHFFFAOYSA-N 1 0 329.278 2.192 10 5 EEBERO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ccncc2[N+](=O)[O-])C1 ZINC000361064068 802813384 /nfs/dbraw/zinc/81/33/84/802813384.db2.gz ZIHZYAQJZRGTNA-UHFFFAOYSA-N 1 0 342.399 2.284 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CCOCC1 ZINC001497478421 1102553019 /nfs/dbraw/zinc/55/30/19/1102553019.db2.gz PLRLQKWSLCVNBJ-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO Cc1c(C[N@@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)cccc1[N+](=O)[O-] ZINC001473602460 1110577523 /nfs/dbraw/zinc/57/75/23/1110577523.db2.gz RFYYDQQLOZBTTE-LBPRGKRZSA-N 1 0 330.344 2.094 10 5 EEBERO Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC001473791712 1110581026 /nfs/dbraw/zinc/58/10/26/1110581026.db2.gz ICTJMKLVQMKADE-LBPRGKRZSA-N 1 0 345.359 2.104 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)c([N+](=O)[O-])c1 ZINC001473856726 1110582211 /nfs/dbraw/zinc/58/22/11/1110582211.db2.gz QRHGNZVAQUHEFZ-OAHLLOKOSA-N 1 0 333.388 2.275 10 5 EEBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001521000645 1119207572 /nfs/dbraw/zinc/20/75/72/1119207572.db2.gz PQOIIITXGLISQV-NSHDSACASA-N 1 0 333.392 2.321 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001531656880 1122489781 /nfs/dbraw/zinc/48/97/81/1122489781.db2.gz SIHHOBCSQQZYIL-INIZCTEOSA-N 1 0 348.359 2.026 10 5 EEBERO O=C(Cc1ccco1)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568937464 1124969450 /nfs/dbraw/zinc/96/94/50/1124969450.db2.gz LSZNTDJJWHUZEW-ONEGZZNKSA-N 1 0 329.356 2.193 10 5 EEBERO C[N+]1(C)CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000001843001 209798847 /nfs/dbraw/zinc/79/88/47/209798847.db2.gz DKSDLGLRESJFOT-GOSISDBHSA-N 1 0 326.416 2.314 10 5 in-man EEBERO O=C(CC[N@@H+]1CCC[C@@]2(CCOC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451903117 243303023 /nfs/dbraw/zinc/30/30/23/243303023.db2.gz PFSJTMWTJSSSST-QGZVFWFLSA-N 1 0 333.388 2.426 10 5 EEBERO COc1ccc(OCC[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451902463 243303232 /nfs/dbraw/zinc/30/32/32/243303232.db2.gz OMFAWXWECXVFMT-KRWDZBQOSA-N 1 0 336.388 2.485 10 5 EEBERO C[C@@H](CN1CCOCC1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000273025076 256258570 /nfs/dbraw/zinc/25/85/70/256258570.db2.gz CPWWPTGDGCNHRZ-AWEZNQCLSA-N 1 0 347.415 2.054 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000377188649 154078721 /nfs/dbraw/zinc/07/87/21/154078721.db2.gz MDZZJAYGGKFLSI-UHFFFAOYSA-N 1 0 341.371 2.216 10 5 EEBERO CN(CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1[N+](=O)[O-] ZINC000080718907 159144547 /nfs/dbraw/zinc/14/45/47/159144547.db2.gz HUQOEVMDOQPHRD-GOOCMWNKSA-N 1 0 346.431 2.163 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000246857951 160298368 /nfs/dbraw/zinc/29/83/68/160298368.db2.gz FMGGOWXEOAAILJ-CZUORRHYSA-N 1 0 334.420 2.165 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000342872704 161097068 /nfs/dbraw/zinc/09/70/68/161097068.db2.gz PJPWAKGNIVLOSQ-UHFFFAOYSA-N 1 0 338.383 2.168 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343870795 161176306 /nfs/dbraw/zinc/17/63/06/161176306.db2.gz DNCVCJSDCFCTEA-MNOVXSKESA-N 1 0 339.342 2.159 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352430800 162133125 /nfs/dbraw/zinc/13/31/25/162133125.db2.gz IWZRVRZDOGLFBX-TXEJJXNPSA-N 1 0 349.387 2.316 10 5 EEBERO COc1c[nH+]ccc1N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000355646259 163258265 /nfs/dbraw/zinc/25/82/65/163258265.db2.gz FNOXNOKFETYSNC-UHFFFAOYSA-N 1 0 328.372 2.321 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000360239452 164264308 /nfs/dbraw/zinc/26/43/08/164264308.db2.gz BMHLGUIKOWKBDA-UHFFFAOYSA-N 1 0 329.360 2.028 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376029676 167247711 /nfs/dbraw/zinc/24/77/11/167247711.db2.gz PLHWFSBZEWPFFF-UHFFFAOYSA-N 1 0 333.388 2.350 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000283793587 269554927 /nfs/dbraw/zinc/55/49/27/269554927.db2.gz SKSHUNNVBSSXGT-OCCSQVGLSA-N 1 0 348.403 2.005 10 5 EEBERO COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000267505717 274027287 /nfs/dbraw/zinc/02/72/87/274027287.db2.gz NMEOLQLLKHBMMN-UHFFFAOYSA-N 1 0 330.388 2.302 10 5 EEBERO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000277456411 274294426 /nfs/dbraw/zinc/29/44/26/274294426.db2.gz MFJFNBNRNLIADP-BXKDBHETSA-N 1 0 327.768 2.201 10 5 EEBERO Cn1ncc(Br)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000278560683 274373298 /nfs/dbraw/zinc/37/32/98/274373298.db2.gz WEBUSNBHISYSFU-UHFFFAOYSA-N 1 0 339.193 2.423 10 5 EEBERO C[C@H]1C[N@H+](CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000278600492 274381058 /nfs/dbraw/zinc/38/10/58/274381058.db2.gz ZMLKNYHOYGNYOG-LBPRGKRZSA-N 1 0 333.392 2.384 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280901669 274607813 /nfs/dbraw/zinc/60/78/13/274607813.db2.gz DWQRLGKSXJTQLI-LLVKDONJSA-N 1 0 331.376 2.255 10 5 EEBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293105137 293126504 /nfs/dbraw/zinc/12/65/04/293126504.db2.gz YCIDBTTWNIRROE-WBMJQRKESA-N 1 0 331.376 2.077 10 5 EEBERO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297740635 294328860 /nfs/dbraw/zinc/32/88/60/294328860.db2.gz ULMJFIUOKCRCIY-XJKSGUPXSA-N 1 0 330.388 2.312 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000301181352 294831166 /nfs/dbraw/zinc/83/11/66/294831166.db2.gz HWTLQGJNPRGCPZ-UHFFFAOYSA-N 1 0 334.420 2.263 10 5 EEBERO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](COC)Cc1ccccc1 ZINC000350459328 312324242 /nfs/dbraw/zinc/32/42/42/312324242.db2.gz QILNAIVSQPNKFS-INIZCTEOSA-N 1 0 332.404 2.371 10 5 EEBERO Cc1c(NC(=O)N2CC[C@@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415654392 313162279 /nfs/dbraw/zinc/16/22/79/313162279.db2.gz 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C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341222228 465065420 /nfs/dbraw/zinc/06/54/20/465065420.db2.gz RPZFRZBZEMUUAB-STQMWFEESA-N 1 0 341.433 2.136 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000156031971 462970636 /nfs/dbraw/zinc/97/06/36/462970636.db2.gz HVQSADROQBZXEQ-UHFFFAOYSA-N 1 0 342.359 2.087 10 5 EEBERO CO[C@@H]1CC[C@H]2OCCN(CCOc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000158047384 463199285 /nfs/dbraw/zinc/19/92/85/463199285.db2.gz JKGOZPUPBPVLCP-DJIMGWMZSA-N 1 0 336.388 2.242 10 5 EEBERO Cc1ccc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000080611647 463336774 /nfs/dbraw/zinc/33/67/74/463336774.db2.gz ZLOIGVQJAAUXMX-INIZCTEOSA-N 1 0 332.448 2.367 10 5 EEBERO CC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000105837297 463476704 /nfs/dbraw/zinc/47/67/04/463476704.db2.gz NQVKREGTCNZQKX-OAHLLOKOSA-N 1 0 337.420 2.016 10 5 EEBERO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CCn2cccn2)CC1 ZINC000105863096 463480345 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SYVWPLCQNNSXIO-UHFFFAOYSA-N 1 0 348.447 2.194 10 5 EEBERO CN1CCOC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000599003303 469084301 /nfs/dbraw/zinc/08/43/01/469084301.db2.gz HXTJWQQAZUMAHS-CYBMUJFWSA-N 1 0 331.372 2.275 10 5 EEBERO O=C(CC[N@@H+]1CCO[C@@H](C(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000601978273 469124718 /nfs/dbraw/zinc/12/47/18/469124718.db2.gz XAJXJCXDHQGOTA-CYBMUJFWSA-N 1 0 343.330 2.279 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC000599139325 469134128 /nfs/dbraw/zinc/13/41/28/469134128.db2.gz KDPMUFGYBZPXQG-OAHLLOKOSA-N 1 0 342.399 2.993 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(CN3CCOC4(C[NH2+]C4)C3)o2)c1 ZINC000596107080 469157623 /nfs/dbraw/zinc/15/76/23/469157623.db2.gz PVXQTSTXVNLMHS-UHFFFAOYSA-N 1 0 329.356 2.029 10 5 EEBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268333 469227658 /nfs/dbraw/zinc/22/76/58/469227658.db2.gz JPYBOGQPYLSVBY-UHFFFAOYSA-N 1 0 347.415 2.489 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000604199389 469463022 /nfs/dbraw/zinc/46/30/22/469463022.db2.gz QRYIRVNZWAFQEA-AWEZNQCLSA-N 1 0 332.404 2.019 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1SC ZINC000609135975 469894312 /nfs/dbraw/zinc/89/43/12/469894312.db2.gz VFJYFYOZTDZPOJ-JTQLQIEISA-N 1 0 339.417 2.149 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H](C)C1 ZINC000610178276 469985897 /nfs/dbraw/zinc/98/58/97/469985897.db2.gz RSRZCSMCIGVPFN-YPMHNXCESA-N 1 0 349.387 2.126 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000726942403 576354357 /nfs/dbraw/zinc/35/43/57/576354357.db2.gz DFNSUAKXBHNFHT-UHFFFAOYSA-N 1 0 337.767 2.259 10 5 EEBERO C[NH+](C)CC1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000120087605 674593014 /nfs/dbraw/zinc/59/30/14/674593014.db2.gz OTCIEPRAMFNUSX-UHFFFAOYSA-N 1 0 347.462 2.055 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928430670 683027748 /nfs/dbraw/zinc/02/77/48/683027748.db2.gz YYHCUERCHBYIAO-WPRPVWTQSA-N 1 0 342.193 2.180 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000928448805 683197046 /nfs/dbraw/zinc/19/70/46/683197046.db2.gz OTHRJRAXXRDTFE-QPUJVOFHSA-N 1 0 342.193 2.180 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1SC ZINC000928450688 683206340 /nfs/dbraw/zinc/20/63/40/683206340.db2.gz UTNIJEILHDZGNI-ONGXEEELSA-N 1 0 339.417 2.148 10 5 EEBERO O=C(N[C@H]1CCCN(CCF)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000898485919 693332716 /nfs/dbraw/zinc/33/27/16/693332716.db2.gz OIRAOPGOTJIHHA-NSHDSACASA-N 1 0 329.759 2.412 10 5 EEBERO CNc1ccc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cc1[N+](=O)[O-] ZINC000898848762 693483915 /nfs/dbraw/zinc/48/39/15/693483915.db2.gz PDWJTHIPUFZQIK-GJZGRUSLSA-N 1 0 332.404 2.239 10 5 EEBERO Cc1cnc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001266785755 1177425698 /nfs/dbraw/zinc/42/56/98/1177425698.db2.gz XTXFXEDJDKMZHA-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cnoc1C1CC1 ZINC001266945398 1177864508 /nfs/dbraw/zinc/86/45/08/1177864508.db2.gz IQQKURXFYKJYNX-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO COc1ccccc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001267011110 1178075677 /nfs/dbraw/zinc/07/56/77/1178075677.db2.gz ZEMRPEOYVYTJHA-UHFFFAOYSA-N 1 0 343.383 2.465 10 5 EEBERO COC1(CC(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001268236420 1182056100 /nfs/dbraw/zinc/05/61/00/1182056100.db2.gz XJHBIJMLOAFLHX-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c[nH]1 ZINC001268465743 1182790485 /nfs/dbraw/zinc/79/04/85/1182790485.db2.gz PSSCIOHZPQNSAW-UHFFFAOYSA-N 1 0 334.351 2.314 10 5 EEBERO CCc1cc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001268783139 1183700896 /nfs/dbraw/zinc/70/08/96/1183700896.db2.gz YXMJGAXPPLTAEO-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cc(F)c[nH]1 ZINC001269455322 1184277651 /nfs/dbraw/zinc/27/76/51/1184277651.db2.gz HNNBCDHBNLWCBX-UHFFFAOYSA-N 1 0 332.335 2.114 10 5 EEBERO CC[N@H+](CCC(C)C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001485031298 1191621417 /nfs/dbraw/zinc/62/14/17/1191621417.db2.gz LUQLLAULZRGESF-HZPDHXFCSA-N 1 0 325.453 2.258 10 5 EEBERO Cc1ccc(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC001132637901 1199894374 /nfs/dbraw/zinc/89/43/74/1199894374.db2.gz ZPJBZPWAXZQTHD-UHFFFAOYSA-N 1 0 337.339 2.414 10 5 EEBERO CC[NH+](CC)[C@H](C)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000925285709 1206090433 /nfs/dbraw/zinc/09/04/33/1206090433.db2.gz WXAMSBAJEPYJGP-SJKOYZFVSA-N 1 0 348.403 2.092 10 5 EEBERO C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[N@@H+]1C ZINC000928450361 1206386500 /nfs/dbraw/zinc/38/65/00/1206386500.db2.gz IANPJWABISQSLE-SWLSCSKDSA-N 1 0 332.404 2.017 10 5 EEBERO O=[N+]([O-])CCN1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000930241248 1206543595 /nfs/dbraw/zinc/54/35/95/1206543595.db2.gz DAEPQLYVGOHBCH-UHFFFAOYSA-N 1 0 348.321 2.231 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000930884802 1206590108 /nfs/dbraw/zinc/59/01/08/1206590108.db2.gz ROGZIQNQMPEEQW-MEDUHNTESA-N 1 0 334.376 2.019 10 5 EEBERO Cn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(Br)n1 ZINC000720628972 1217188528 /nfs/dbraw/zinc/18/85/28/1217188528.db2.gz USCSULFOIDPMFM-UHFFFAOYSA-N 1 0 339.193 2.423 10 5 EEBERO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000826767908 1248067879 /nfs/dbraw/zinc/06/78/79/1248067879.db2.gz VWMQOMGQQWFBQC-UHFFFAOYSA-N 1 0 333.388 2.098 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCC2SCCS2)c1 ZINC000853122066 1292290552 /nfs/dbraw/zinc/29/05/52/1292290552.db2.gz LWCDFGZRWITVCJ-LBPRGKRZSA-N 1 0 344.458 2.120 10 5 EEBERO Cc1cc(-c2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000854159595 1292652640 /nfs/dbraw/zinc/65/26/40/1292652640.db2.gz HJODHZMMUIDITK-SNVBAGLBSA-N 1 0 340.343 2.420 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861608922 1295476397 /nfs/dbraw/zinc/47/63/97/1295476397.db2.gz YFEPZGAAFHCTKA-CYBMUJFWSA-N 1 0 338.795 2.332 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000926946514 1296965924 /nfs/dbraw/zinc/96/59/24/1296965924.db2.gz PGRNWJGSOBQNQX-KONPQCLYSA-N 1 0 332.400 2.309 10 5 EEBERO COc1c(C)[nH]cc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1=O ZINC000931323702 1297139194 /nfs/dbraw/zinc/13/91/94/1297139194.db2.gz WPRHSXSKOUDAEB-UHFFFAOYSA-N 1 0 331.372 2.275 10 5 EEBERO COCC[NH+](CCOC)C1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001163643575 1321179239 /nfs/dbraw/zinc/17/92/39/1321179239.db2.gz UYZWLOOCKDNLRY-UHFFFAOYSA-N 1 0 343.811 2.032 10 5 EEBERO O=C(CC1CC1)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001281208308 1324876559 /nfs/dbraw/zinc/87/65/59/1324876559.db2.gz OAGLQYNYZFLIHJ-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001297105883 1329943400 /nfs/dbraw/zinc/94/34/00/1329943400.db2.gz MRQGDNRBZDSSKG-LBPRGKRZSA-N 1 0 345.403 2.208 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001304526586 1331387373 /nfs/dbraw/zinc/38/73/73/1331387373.db2.gz WHQVIOROVRXXDY-GFCCVEGCSA-N 1 0 335.429 2.388 10 5 EEBERO CCC[N@H+](CCNC(=O)C1=CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001317542162 1332290900 /nfs/dbraw/zinc/29/09/00/1332290900.db2.gz NBICUNQUEQWVKI-UHFFFAOYSA-N 1 0 347.415 2.270 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc[nH]1 ZINC001322842259 1333339231 /nfs/dbraw/zinc/33/92/31/1333339231.db2.gz WOIDYIMZRGKLPJ-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCN(C(=O)CCOC)CC1 ZINC001327427606 1334290789 /nfs/dbraw/zinc/29/07/89/1334290789.db2.gz QZXLECIOKWMQKD-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001347726711 1337519550 /nfs/dbraw/zinc/51/95/50/1337519550.db2.gz CLDRLVYPHKSNDR-KWCYVHTRSA-N 1 0 348.403 2.455 10 5 EEBERO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001559995967 1342506101 /nfs/dbraw/zinc/50/61/01/1342506101.db2.gz HIALIHUVZHEANI-RSUWNVLCSA-N 1 0 333.388 2.015 10 5 EEBERO Cc1c(C[NH+]2CCC(O)(c3nccn3C)CC2)cccc1[N+](=O)[O-] ZINC001560115332 1342507458 /nfs/dbraw/zinc/50/74/58/1342507458.db2.gz VNZXUXOUPJIUQL-UHFFFAOYSA-N 1 0 330.388 2.120 10 5 EEBERO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc2ccccc2s1 ZINC001567281906 1342732736 /nfs/dbraw/zinc/73/27/36/1342732736.db2.gz XSRXVGNKGAVJKJ-ZIAGYGMSSA-N 1 0 333.413 2.115 10 5 EEBERO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001569728232 1342934828 /nfs/dbraw/zinc/93/48/28/1342934828.db2.gz OUMSCYMHMWQYSS-LZWSPWQCSA-N 1 0 347.415 2.316 10 5 EEBERO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC001595762098 1349894625 /nfs/dbraw/zinc/89/46/25/1349894625.db2.gz ZQTWBIUMLSYFSQ-UHFFFAOYSA-N 1 0 335.339 2.053 10 5 EEBERO C[C@](CO)([NH2+]Cc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC001659773063 1354386303 /nfs/dbraw/zinc/38/63/03/1354386303.db2.gz IJCNMDOSRAZJKU-QGZVFWFLSA-N 1 0 326.356 2.468 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@]23CCC[C@H]2OCC3)c([N+](=O)[O-])c1 ZINC001659916028 1354388987 /nfs/dbraw/zinc/38/89/87/1354388987.db2.gz KOMJZMSYJLIVCN-WBVHZDCISA-N 1 0 349.387 2.233 10 5 EEBERO O=C(CC[N@@H+]1CC[C@@H](c2ncccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001660357175 1354447897 /nfs/dbraw/zinc/44/78/97/1354447897.db2.gz HAVSGTLHTWDQTM-CYBMUJFWSA-N 1 0 341.371 2.203 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCOC12CCCC2 ZINC001660537733 1354484807 /nfs/dbraw/zinc/48/48/07/1354484807.db2.gz ZPWFQUGUEFIYCF-HNNXBMFYSA-N 1 0 349.387 2.233 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC1CCOCC1 ZINC001663860712 1355044199 /nfs/dbraw/zinc/04/41/99/1355044199.db2.gz CAKWSXHBXXFGTK-UHFFFAOYSA-N 1 0 341.433 2.021 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1nocc1C ZINC001668608583 1355971663 /nfs/dbraw/zinc/97/16/63/1355971663.db2.gz BOGJWXZZVGMSLX-UHFFFAOYSA-N 1 0 338.389 2.205 10 5 EEBERO O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc2c[nH+]cn2c1 ZINC001672325876 1356501774 /nfs/dbraw/zinc/50/17/74/1356501774.db2.gz GIKAJFMESRKDAS-UHFFFAOYSA-N 1 0 339.355 2.284 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc[nH]1 ZINC001699552196 1405389796 /nfs/dbraw/zinc/38/97/96/1405389796.db2.gz WUKBADCWNLFVHQ-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CC(C)(O)CC(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001699768900 1405477418 /nfs/dbraw/zinc/47/74/18/1405477418.db2.gz AZQHEUYICRANDF-UHFFFAOYSA-N 1 0 349.431 2.227 10 5 EEBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819106947 785405598 /nfs/dbraw/zinc/40/55/98/785405598.db2.gz RREFOPQNLWFPBG-APPDUMDISA-N 1 0 332.404 2.199 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000819188487 785454979 /nfs/dbraw/zinc/45/49/79/785454979.db2.gz HWERDIIHQPGCAL-INIZCTEOSA-N 1 0 328.372 2.128 10 5 EEBERO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911478930 787497891 /nfs/dbraw/zinc/49/78/91/787497891.db2.gz VWINBBZAQIGSCO-ZDUSSCGKSA-N 1 0 327.331 2.364 10 5 EEBERO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc2ccccc2c1[N+](=O)[O-] ZINC000912904560 788484090 /nfs/dbraw/zinc/48/40/90/788484090.db2.gz WJNYAKAWIHNSPT-CYBMUJFWSA-N 1 0 340.383 2.250 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000174282129 792055581 /nfs/dbraw/zinc/05/55/81/792055581.db2.gz MJJUTRGXJMPUSX-AWEZNQCLSA-N 1 0 336.388 2.417 10 5 EEBERO CC1([NH+]2CCC2)CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000922170397 799637572 /nfs/dbraw/zinc/63/75/72/799637572.db2.gz KTYFXHFUJSVNAF-UHFFFAOYSA-N 1 0 335.379 2.363 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OCCC[NH+]1CCCC1 ZINC000808562835 812738827 /nfs/dbraw/zinc/73/88/27/812738827.db2.gz BLWNKQJNJXVMCW-UHFFFAOYSA-N 1 0 328.315 2.445 10 5 EEBERO C[N@H+](CCCNC(=O)c1ccsn1)Cc1cccc([N+](=O)[O-])c1 ZINC001479778461 1098962457 /nfs/dbraw/zinc/96/24/57/1098962457.db2.gz BTXHYAMQPJNZRH-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CCOC(=O)c1ccnc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC001458454376 1109875400 /nfs/dbraw/zinc/87/54/00/1109875400.db2.gz PDOLLQFLQYVELC-NWDGAFQWSA-N 1 0 336.392 2.307 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(=O)C(C)(C)C ZINC001568730854 1124746437 /nfs/dbraw/zinc/74/64/37/1124746437.db2.gz PWGAXGPRMIQDTH-UHFFFAOYSA-N 1 0 341.433 2.210 10 5 EEBERO CCC[NH2+][C@@H](COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440738 214057308 /nfs/dbraw/zinc/05/73/08/214057308.db2.gz ISPABLSBNZEKOK-JTQLQIEISA-N 1 0 336.175 2.134 10 5 EEBERO CN(CC[NH3+])c1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000054419593 214237301 /nfs/dbraw/zinc/23/73/01/214237301.db2.gz WGNMIYIGIBMHMW-UHFFFAOYSA-N 1 0 325.166 2.300 10 5 EEBERO COc1ccc(OC)c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000181954481 234392475 /nfs/dbraw/zinc/39/24/75/234392475.db2.gz JKXJYBRPVRAWSZ-GFCCVEGCSA-N 1 0 347.371 2.125 10 5 EEBERO Cc1c(F)cc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000193302550 240097956 /nfs/dbraw/zinc/09/79/56/240097956.db2.gz PWZSELGKMKLUBL-ZDUSSCGKSA-N 1 0 347.412 2.036 10 5 EEBERO NC(=O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000459776692 245246193 /nfs/dbraw/zinc/24/61/93/245246193.db2.gz KWYBYYGGGIVPQT-UHFFFAOYSA-N 1 0 335.429 2.426 10 5 EEBERO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000079427343 217223574 /nfs/dbraw/zinc/22/35/74/217223574.db2.gz BSMCQNZCWAQIJO-ZDUSSCGKSA-N 1 0 348.403 2.312 10 5 EEBERO COc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000266160448 248139517 /nfs/dbraw/zinc/13/95/17/248139517.db2.gz WMJNPTQJKOBAFU-INIZCTEOSA-N 1 0 348.447 2.210 10 5 EEBERO C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C1=CC[N@H+](C)CC1 ZINC000272850788 256243287 /nfs/dbraw/zinc/24/32/87/256243287.db2.gz HIPMWTUCDQRKCW-LLVKDONJSA-N 1 0 328.372 2.456 10 5 EEBERO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000119573940 221351988 /nfs/dbraw/zinc/35/19/88/221351988.db2.gz CPHIBESQMIUQLQ-GFCCVEGCSA-N 1 0 337.424 2.121 10 5 EEBERO C[NH+](C)CC1CCC(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000119894363 292249501 /nfs/dbraw/zinc/24/95/01/292249501.db2.gz LPEQXGVAKJTHBN-UHFFFAOYSA-N 1 0 345.403 2.321 10 5 EEBERO Cn1cc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cn1 ZINC000116320328 152048100 /nfs/dbraw/zinc/04/81/00/152048100.db2.gz MHYMCPIFCODIKO-GFCCVEGCSA-N 1 0 344.371 2.184 10 5 EEBERO CN(CC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000130400286 292372574 /nfs/dbraw/zinc/37/25/74/292372574.db2.gz QBXODQCYPDXVCE-UHFFFAOYSA-N 1 0 348.447 2.268 10 5 EEBERO CC1CC[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000098117627 159250934 /nfs/dbraw/zinc/25/09/34/159250934.db2.gz AQCKYBBLWCOYTL-UHFFFAOYSA-N 1 0 347.462 2.057 10 5 EEBERO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000245752474 160251044 /nfs/dbraw/zinc/25/10/44/160251044.db2.gz OCIFGQXEWAUHRW-WFEZPHLISA-N 1 0 331.416 2.261 10 5 EEBERO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000344407103 161224102 /nfs/dbraw/zinc/22/41/02/161224102.db2.gz SJOCJRLGLHRSPP-CQSZACIVSA-N 1 0 337.807 2.486 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352080984 162060158 /nfs/dbraw/zinc/06/01/58/162060158.db2.gz CNFMXIUJZLHTCQ-MRXNPFEDSA-N 1 0 349.431 2.099 10 5 EEBERO CC(C)[C@](C)(CO)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352915331 162344507 /nfs/dbraw/zinc/34/45/07/162344507.db2.gz QIARFRYAJNGXAV-AWEZNQCLSA-N 1 0 329.784 2.183 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncccc1O ZINC000355282019 163131611 /nfs/dbraw/zinc/13/16/11/163131611.db2.gz PMSSKYMJANFTPL-LLVKDONJSA-N 1 0 330.344 2.202 10 5 EEBERO C[NH+](C)Cc1cc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)ccc1F ZINC000357051922 163611544 /nfs/dbraw/zinc/61/15/44/163611544.db2.gz NJKDVNUNWNODOO-UHFFFAOYSA-N 1 0 346.322 2.090 10 5 EEBERO CNC(=O)C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000361642582 164479758 /nfs/dbraw/zinc/47/97/58/164479758.db2.gz JOHGZEKAZJTJDL-HNNXBMFYSA-N 1 0 343.383 2.441 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000277357231 269149876 /nfs/dbraw/zinc/14/98/76/269149876.db2.gz CAAHFGHJFQHRPT-IUODEOHRSA-N 1 0 335.404 2.406 10 5 EEBERO CC(C)(O)C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000336881731 273507539 /nfs/dbraw/zinc/50/75/39/273507539.db2.gz UNAOFJHBKHAMOR-UHFFFAOYSA-N 1 0 330.388 2.036 10 5 EEBERO CN(CCC(=O)NCCc1ccc([N+](=O)[O-])cc1)c1cc[nH+]cc1 ZINC000540928539 318084803 /nfs/dbraw/zinc/08/48/03/318084803.db2.gz MMJBGQUNUKUVRT-UHFFFAOYSA-N 1 0 328.372 2.175 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000570332635 319656119 /nfs/dbraw/zinc/65/61/19/319656119.db2.gz OCYMVRYJFJHIRP-SFHVURJKSA-N 1 0 346.431 2.389 10 5 EEBERO Cc1c(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000578425726 320313284 /nfs/dbraw/zinc/31/32/84/320313284.db2.gz BXJFBJLHRWWUCS-UHFFFAOYSA-N 1 0 345.403 2.406 10 5 EEBERO CCC[NH+]1CCC(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000341367005 465133533 /nfs/dbraw/zinc/13/35/33/465133533.db2.gz JWHSXYCGKUKURA-UHFFFAOYSA-N 1 0 336.392 2.371 10 5 EEBERO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000354811853 465167293 /nfs/dbraw/zinc/16/72/93/465167293.db2.gz FEWAUOIGVRQKCM-KRWDZBQOSA-N 1 0 343.387 2.102 10 5 EEBERO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000064245113 462690380 /nfs/dbraw/zinc/69/03/80/462690380.db2.gz QWCGVCBEEKDLCI-UHFFFAOYSA-N 1 0 347.462 2.150 10 5 EEBERO Cn1ccnc1CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000137047378 463274712 /nfs/dbraw/zinc/27/47/12/463274712.db2.gz CZGXXVWOPVPXSM-KRWDZBQOSA-N 1 0 344.415 2.316 10 5 EEBERO C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000161684749 463449071 /nfs/dbraw/zinc/44/90/71/463449071.db2.gz DPPDKYNCHMZGSI-KCJUWKMLSA-N 1 0 329.198 2.139 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107526405 463574019 /nfs/dbraw/zinc/57/40/19/463574019.db2.gz PIVZGHMEJQVMMU-MRXNPFEDSA-N 1 0 347.415 2.451 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000164000186 463613002 /nfs/dbraw/zinc/61/30/02/463613002.db2.gz XIDRQYRKQIQWDH-TXEJJXNPSA-N 1 0 326.356 2.110 10 5 EEBERO COc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000187091719 464097462 /nfs/dbraw/zinc/09/74/62/464097462.db2.gz LNDDRFLLFNARHY-TZMCWYRMSA-N 1 0 347.371 2.089 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[N@@H+]4CCCC[C@@H]4C3)o2)cc1 ZINC000172801731 464146000 /nfs/dbraw/zinc/14/60/00/464146000.db2.gz AOLLHBPVAQZMPR-OAHLLOKOSA-N 1 0 343.387 2.315 10 5 EEBERO CC[NH2+]Cc1ccccc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000237042812 464256151 /nfs/dbraw/zinc/25/61/51/464256151.db2.gz PYUOSWGFMBSVEQ-UHFFFAOYSA-N 1 0 331.376 2.238 10 5 EEBERO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000281998714 464662784 /nfs/dbraw/zinc/66/27/84/464662784.db2.gz IQWDQJJUPZOIPG-DYVFJYSZSA-N 1 0 335.404 2.406 10 5 EEBERO O=C(CC[NH2+][C@@H](CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000183637761 464889580 /nfs/dbraw/zinc/88/95/80/464889580.db2.gz WDDLWIVMWIYGJO-INIZCTEOSA-N 1 0 329.356 2.247 10 5 EEBERO [NH3+]CC1(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000593914756 468431744 /nfs/dbraw/zinc/43/17/44/468431744.db2.gz QTTSTIKHOZPKFK-UHFFFAOYSA-N 1 0 332.404 2.054 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000348181665 465474735 /nfs/dbraw/zinc/47/47/35/465474735.db2.gz RFRVVZSNUUMXCR-MRXNPFEDSA-N 1 0 346.431 2.400 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](CO)c2cccnc2)n1 ZINC000348206455 465490050 /nfs/dbraw/zinc/49/00/50/465490050.db2.gz LTSSZSKUHPOYPB-BZUAXINKSA-N 1 0 345.403 2.036 10 5 EEBERO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000371235940 465660533 /nfs/dbraw/zinc/66/05/33/465660533.db2.gz NATCUUCBHLTKJR-LSDHHAIUSA-N 1 0 346.431 2.022 10 5 EEBERO Cn1ccnc1[C@H](NCCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353495738 465929699 /nfs/dbraw/zinc/92/96/99/465929699.db2.gz IYFYNZIJWZVFNQ-MRXNPFEDSA-N 1 0 331.420 2.349 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000371899522 466060721 /nfs/dbraw/zinc/06/07/21/466060721.db2.gz OWHPLHKKOWRECK-INIZCTEOSA-N 1 0 330.388 2.259 10 5 EEBERO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362863569 466082194 /nfs/dbraw/zinc/08/21/94/466082194.db2.gz AUUGKEBZZAHBDV-NSHDSACASA-N 1 0 341.358 2.358 10 5 EEBERO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357686240 466210189 /nfs/dbraw/zinc/21/01/89/466210189.db2.gz OQWDCGFGMDHODI-PXAZEXFGSA-N 1 0 340.387 2.741 10 5 EEBERO CC[NH+](CC)CC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354386683 466527146 /nfs/dbraw/zinc/52/71/46/466527146.db2.gz ICKWLUUKTDDFQC-UHFFFAOYSA-N 1 0 334.420 2.371 10 5 EEBERO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411571546 466845505 /nfs/dbraw/zinc/84/55/05/466845505.db2.gz QAPVKYJYSUCNDJ-DYVFJYSZSA-N 1 0 335.404 2.406 10 5 EEBERO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371017601 467072921 /nfs/dbraw/zinc/07/29/21/467072921.db2.gz KGQNCHLMXCEKKD-FZMZJTMJSA-N 1 0 343.387 2.075 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000378224516 467234275 /nfs/dbraw/zinc/23/42/75/467234275.db2.gz KAMXBGMBGHLGQZ-WFASDCNBSA-N 1 0 333.388 2.208 10 5 EEBERO COC[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000452076460 467314091 /nfs/dbraw/zinc/31/40/91/467314091.db2.gz BUZBYGJEEGVEHL-AWEZNQCLSA-N 1 0 335.404 2.306 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000420391251 467392008 /nfs/dbraw/zinc/39/20/08/467392008.db2.gz YWDJIYLQXLSWDX-KSSFIOAISA-N 1 0 346.431 2.306 10 5 EEBERO CN(C(=O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409939 467399409 /nfs/dbraw/zinc/39/94/09/467399409.db2.gz XRNSVRHZMNAKBR-PBHICJAKSA-N 1 0 346.431 2.022 10 5 EEBERO Cc1cc(OCC(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000431709913 467534385 /nfs/dbraw/zinc/53/43/85/467534385.db2.gz PTKMEIIGNIZBOM-AWEZNQCLSA-N 1 0 337.420 2.375 10 5 EEBERO C[N@H+](CCN1CCc2ncc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000450699235 467893700 /nfs/dbraw/zinc/89/37/00/467893700.db2.gz XLHYOTFEOSLQOE-UHFFFAOYSA-N 1 0 326.400 2.480 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000589516182 468159097 /nfs/dbraw/zinc/15/90/97/468159097.db2.gz LUMCWLCMFRMMCI-ZDUSSCGKSA-N 1 0 344.371 2.104 10 5 EEBERO C[C@H]1CC[N@H+](CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000594309070 468548623 /nfs/dbraw/zinc/54/86/23/468548623.db2.gz FCRCIESTTTZRQF-AWEZNQCLSA-N 1 0 347.415 2.306 10 5 EEBERO Cc1cccc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600411669 468550147 /nfs/dbraw/zinc/55/01/47/468550147.db2.gz TWXYDQMEOMOFTM-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594451983 468593392 /nfs/dbraw/zinc/59/33/92/468593392.db2.gz VTWMBRIURNNNCT-XCBNKYQSSA-N 1 0 337.323 2.081 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000570332633 468622818 /nfs/dbraw/zinc/62/28/18/468622818.db2.gz OCYMVRYJFJHIRP-GOSISDBHSA-N 1 0 346.431 2.389 10 5 EEBERO COc1c(C)cccc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000594576852 468624907 /nfs/dbraw/zinc/62/49/07/468624907.db2.gz BVXPOURZSZNXON-MRXNPFEDSA-N 1 0 346.383 2.441 10 5 EEBERO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)n1 ZINC000592176762 468646771 /nfs/dbraw/zinc/64/67/71/468646771.db2.gz DHSZTRYCXFBVJK-KRWDZBQOSA-N 1 0 342.399 2.451 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181053 468646785 /nfs/dbraw/zinc/64/67/85/468646785.db2.gz AXNYHRXDUMYXFP-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592211319 468656419 /nfs/dbraw/zinc/65/64/19/468656419.db2.gz PHXIYHWEUUVYPI-UHFFFAOYSA-N 1 0 348.403 2.232 10 5 EEBERO Cc1ccncc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594716236 468662334 /nfs/dbraw/zinc/66/23/34/468662334.db2.gz MTFCLJONXVDNEA-UHFFFAOYSA-N 1 0 328.372 2.459 10 5 EEBERO Cc1cc(NCCOCCC[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000600956011 468695991 /nfs/dbraw/zinc/69/59/91/468695991.db2.gz UIJIKEJGLOKCFQ-UHFFFAOYSA-N 1 0 332.198 2.443 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476038 468705658 /nfs/dbraw/zinc/70/56/58/468705658.db2.gz LUJFAWXVGXMZJD-RBSFLKMASA-N 1 0 346.431 2.386 10 5 EEBERO COc1cc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc([N+](=O)[O-])c1C ZINC000592571376 468731875 /nfs/dbraw/zinc/73/18/75/468731875.db2.gz YTPGMKCKKBXAGE-HNNXBMFYSA-N 1 0 333.388 2.316 10 5 EEBERO CS[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000601145611 468760006 /nfs/dbraw/zinc/76/00/06/468760006.db2.gz PGEDHVJAWVQKHD-QWHCGFSZSA-N 1 0 326.397 2.145 10 5 EEBERO CC[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)[NH2+]1 ZINC000598536157 468904811 /nfs/dbraw/zinc/90/48/11/468904811.db2.gz NCTKLWGDBVCASS-GXTWGEPZSA-N 1 0 330.388 2.148 10 5 EEBERO Cc1c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000598544108 468908075 /nfs/dbraw/zinc/90/80/75/468908075.db2.gz ORIFXQLJPYFBNT-AWEZNQCLSA-N 1 0 335.404 2.086 10 5 EEBERO [NH3+]CC12CCC(CC1)CN2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000584731258 468924508 /nfs/dbraw/zinc/92/45/08/468924508.db2.gz UNFGWIQQUIDGGP-UHFFFAOYSA-N 1 0 343.387 2.348 10 5 EEBERO COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1OC1CC1 ZINC000598967289 469071590 /nfs/dbraw/zinc/07/15/90/469071590.db2.gz GZRGWNKMVPJJND-UHFFFAOYSA-N 1 0 332.360 2.131 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595950799 469095247 /nfs/dbraw/zinc/09/52/47/469095247.db2.gz MRMWKBNKTCKZAU-UHFFFAOYSA-N 1 0 329.278 2.095 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000595949938 469096031 /nfs/dbraw/zinc/09/60/31/469096031.db2.gz HUNCRXTZMTUYDH-GFCCVEGCSA-N 1 0 344.209 2.461 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CO)([NH2+]CC(C)C)CC2)n1 ZINC000596252479 469221934 /nfs/dbraw/zinc/22/19/34/469221934.db2.gz DXIYTLFLNWWQGM-UHFFFAOYSA-N 1 0 336.436 2.184 10 5 EEBERO CC(C)[NH2+]C1(CO)CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000596251124 469221955 /nfs/dbraw/zinc/22/19/55/469221955.db2.gz OCWXXNIEURWRNU-UHFFFAOYSA-N 1 0 348.447 2.198 10 5 EEBERO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269702 469227556 /nfs/dbraw/zinc/22/75/56/469227556.db2.gz YVJHKDVHUACQNR-UHFFFAOYSA-N 1 0 340.811 2.334 10 5 EEBERO Cc1cccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)c1 ZINC000599627329 469315515 /nfs/dbraw/zinc/31/55/15/469315515.db2.gz KKHISESDKDMFNH-IRXDYDNUSA-N 1 0 332.404 2.448 10 5 EEBERO COc1cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)ccc1[N+](=O)[O-] ZINC000618547347 469384803 /nfs/dbraw/zinc/38/48/03/469384803.db2.gz CNHZDJHLVDJZRP-UHFFFAOYSA-N 1 0 333.388 2.048 10 5 EEBERO COCC[NH+]1CCC(NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000751527217 577754889 /nfs/dbraw/zinc/75/48/89/577754889.db2.gz GJZRCDJCIUNWCE-YPKPFQOOSA-N 1 0 347.415 2.225 10 5 EEBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC000898824159 693474683 /nfs/dbraw/zinc/47/46/83/693474683.db2.gz CIHDTABGKDGTEL-LSDHHAIUSA-N 1 0 335.379 2.265 10 5 EEBERO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[NH+]1CCCC1 ZINC000905386021 694621872 /nfs/dbraw/zinc/62/18/72/694621872.db2.gz YOSSHCVVZPWNPD-UHFFFAOYSA-N 1 0 325.796 2.393 10 5 EEBERO O=C(Cc1ccc[nH]1)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691184168 1177685857 /nfs/dbraw/zinc/68/58/57/1177685857.db2.gz CCFNCTKOPYRLMW-SAZUREKKSA-N 1 0 342.399 2.150 10 5 EEBERO Cc1cc(C)cc(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c1 ZINC001691209208 1177708016 /nfs/dbraw/zinc/70/80/16/1177708016.db2.gz RGZBNSUTIWSIBZ-IAGOWNOFSA-N 1 0 331.416 2.049 10 5 EEBERO Cc1noc(C)c1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001691255674 1177777272 /nfs/dbraw/zinc/77/72/72/1177777272.db2.gz JJHKLEUELUAKES-UHFFFAOYSA-N 1 0 338.389 2.123 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001267127228 1178295799 /nfs/dbraw/zinc/29/57/99/1178295799.db2.gz OCWFBHZMXKXFQE-XYJQFASLSA-N 1 0 343.427 2.435 10 5 EEBERO CCCc1nc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)co1 ZINC001267455697 1179037919 /nfs/dbraw/zinc/03/79/19/1179037919.db2.gz CGNCNTGJPQEGQJ-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC(F)(F)F ZINC001481213598 1180269647 /nfs/dbraw/zinc/26/96/47/1180269647.db2.gz IKJFXYRXUQYUCR-UHFFFAOYSA-N 1 0 325.312 2.157 10 5 EEBERO CC(C)(C)OCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001670767995 1180883655 /nfs/dbraw/zinc/88/36/55/1180883655.db2.gz NKBHOBUXGYZFOL-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001670772671 1181180645 /nfs/dbraw/zinc/18/06/45/1181180645.db2.gz YSPUUKLPSYRSTG-FPLPWBNLSA-N 1 0 340.383 2.375 10 5 EEBERO Cc1conc1C(=O)N(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001268905895 1183807454 /nfs/dbraw/zinc/80/74/54/1183807454.db2.gz LZNBQYSHUQKVMI-UHFFFAOYSA-N 1 0 338.389 2.205 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001691631010 1189147080 /nfs/dbraw/zinc/14/70/80/1189147080.db2.gz NFBLXTDBMYRAQO-XLHUXQDVSA-N 1 0 349.456 2.496 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000870550496 1200738793 /nfs/dbraw/zinc/73/87/93/1200738793.db2.gz GVEZHDPATARVFR-ZDUSSCGKSA-N 1 0 332.360 2.278 10 5 EEBERO CCS(=O)(=O)C1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866392662 1201506000 /nfs/dbraw/zinc/50/60/00/1201506000.db2.gz HFUIZIRHXILKED-LLVKDONJSA-N 1 0 344.408 2.222 10 5 EEBERO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866531870 1201542645 /nfs/dbraw/zinc/54/26/45/1201542645.db2.gz JEDLFXFQVJRSHQ-OCCSQVGLSA-N 1 0 335.404 2.413 10 5 EEBERO Cc1c(NC(=O)CCN2CCC[C@@H]3[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000866720595 1201589254 /nfs/dbraw/zinc/58/92/54/1201589254.db2.gz GRCOIELLVBCQGG-HOCLYGCPSA-N 1 0 332.404 2.058 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000868488536 1201821136 /nfs/dbraw/zinc/82/11/36/1201821136.db2.gz DOZAOGOSLUABFR-CYBMUJFWSA-N 1 0 332.404 2.353 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801884602 1236349976 /nfs/dbraw/zinc/34/99/76/1236349976.db2.gz UHXAYGPJTSAINE-QWRGUYRKSA-N 1 0 338.383 2.309 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903517314 1240762569 /nfs/dbraw/zinc/76/25/69/1240762569.db2.gz FLJRLFNCZDNNLR-VXGBXAGGSA-N 1 0 333.310 2.315 10 5 EEBERO C[C@H](CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000853824973 1292474589 /nfs/dbraw/zinc/47/45/89/1292474589.db2.gz AVRPGAXGZHKSNN-SNVBAGLBSA-N 1 0 331.319 2.023 10 5 EEBERO O=C(NCCC[C@H]1CCC[NH2+]1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764688 1293910548 /nfs/dbraw/zinc/91/05/48/1293910548.db2.gz XIWTVVXABKEGCK-LLVKDONJSA-N 1 0 343.330 2.215 10 5 EEBERO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000857764779 1293910843 /nfs/dbraw/zinc/91/08/43/1293910843.db2.gz AHOYADKIFGYXOF-WDEREUQCSA-N 1 0 343.330 2.152 10 5 EEBERO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858540556 1294148509 /nfs/dbraw/zinc/14/85/09/1294148509.db2.gz IOMOTIGVLHIQMU-GFCCVEGCSA-N 1 0 334.420 2.476 10 5 EEBERO CCON(CC)C(=O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000858679785 1294190169 /nfs/dbraw/zinc/19/01/69/1294190169.db2.gz FWFJFFUWYCXQBS-UHFFFAOYSA-N 1 0 332.360 2.085 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000859955513 1294724483 /nfs/dbraw/zinc/72/44/83/1294724483.db2.gz VAJLYLABEYUNRR-NCOADZHNSA-N 1 0 348.399 2.292 10 5 EEBERO C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000860786437 1295110121 /nfs/dbraw/zinc/11/01/21/1295110121.db2.gz CNUPFSKHCALFTQ-RRQGHBQHSA-N 1 0 332.400 2.353 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1 ZINC000931316187 1297134069 /nfs/dbraw/zinc/13/40/69/1297134069.db2.gz HHCQVTXMOIEMCP-HDICACEKSA-N 1 0 347.415 2.155 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C)([NH+](C)C)CC1 ZINC000931354890 1297154629 /nfs/dbraw/zinc/15/46/29/1297154629.db2.gz WOURRJHYLUVSCQ-CYBMUJFWSA-N 1 0 334.420 2.338 10 5 EEBERO CC1(C)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC001124023129 1310806012 /nfs/dbraw/zinc/80/60/12/1310806012.db2.gz GZFMSNUWYRLAKT-CQSZACIVSA-N 1 0 335.404 2.007 10 5 EEBERO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001152051960 1316626297 /nfs/dbraw/zinc/62/62/97/1316626297.db2.gz BCFDVFLEKKXEED-ZDUSSCGKSA-N 1 0 347.419 2.099 10 5 EEBERO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001293349260 1328681975 /nfs/dbraw/zinc/68/19/75/1328681975.db2.gz BZBMPDXGAJEKDC-LBPRGKRZSA-N 1 0 349.435 2.202 10 5 EEBERO C[C@@H](CCNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])[NH+](C)C ZINC001163701715 1321197104 /nfs/dbraw/zinc/19/71/04/1321197104.db2.gz VGSOPWVOVMRLCZ-JTQLQIEISA-N 1 0 333.348 2.225 10 5 EEBERO Cc1cccc(CCC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001263831824 1322531550 /nfs/dbraw/zinc/53/15/50/1322531550.db2.gz CIABGQDOELUDDR-XMTFNYHQSA-N 1 0 345.443 2.077 10 5 EEBERO CC[NH+](CC)CC[C@H](C)NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001264012608 1322584262 /nfs/dbraw/zinc/58/42/62/1322584262.db2.gz RSPWUUOVGGHEJS-ZDUSSCGKSA-N 1 0 337.420 2.383 10 5 EEBERO COCCC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001265185948 1322975182 /nfs/dbraw/zinc/97/51/82/1322975182.db2.gz BAYBPUBYGQXYPG-UHFFFAOYSA-N 1 0 335.404 2.054 10 5 EEBERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001290984488 1328298849 /nfs/dbraw/zinc/29/88/49/1328298849.db2.gz UHFTZOXVOZOHMW-STQMWFEESA-N 1 0 349.435 2.060 10 5 EEBERO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1[NH+](C)C ZINC001295851135 1329849152 /nfs/dbraw/zinc/84/91/52/1329849152.db2.gz CPTFATXJFIYZEN-UONOGXRCSA-N 1 0 341.408 2.160 10 5 EEBERO Cc1ncccc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001492392021 1331211801 /nfs/dbraw/zinc/21/18/01/1331211801.db2.gz DRYJQZVVXYHPAB-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC001349693342 1337639633 /nfs/dbraw/zinc/63/96/33/1337639633.db2.gz KNMQXWXPPGUISO-BPUTZDHNSA-N 1 0 342.399 2.006 10 5 EEBERO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001556900451 1342438042 /nfs/dbraw/zinc/43/80/42/1342438042.db2.gz IQLJFIFBTLKOJZ-ZACQAIPSSA-N 1 0 333.432 2.269 10 5 EEBERO Cc1nocc1C(=O)N(C)CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001570207320 1343032360 /nfs/dbraw/zinc/03/23/60/1343032360.db2.gz MJPDVCAPDMASDD-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO CC(C)[N@H+](C)CC1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001597397090 1349924027 /nfs/dbraw/zinc/92/40/27/1349924027.db2.gz MSNWALDTXSAENU-UHFFFAOYSA-N 1 0 343.815 2.164 10 5 EEBERO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001625287759 1352444954 /nfs/dbraw/zinc/44/49/54/1352444954.db2.gz GTDJAVRWZGRBHZ-NSHDSACASA-N 1 0 328.372 2.012 10 5 EEBERO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001628127013 1352521967 /nfs/dbraw/zinc/52/19/67/1352521967.db2.gz SDPNTRIMVYNXMG-RYUDHWBXSA-N 1 0 340.811 2.433 10 5 EEBERO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001641721288 1352724124 /nfs/dbraw/zinc/72/41/24/1352724124.db2.gz DIWUKARJFHGIIG-SECBINFHSA-N 1 0 341.799 2.108 10 5 EEBERO CC[C@@H]1[C@@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC001650775338 1354029583 /nfs/dbraw/zinc/02/95/83/1354029583.db2.gz LFIZHOVNVBIALW-QWHCGFSZSA-N 1 0 344.375 2.049 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001654225646 1354144471 /nfs/dbraw/zinc/14/44/71/1354144471.db2.gz AQSLZPATTPIPBA-LJISPDSOSA-N 1 0 347.415 2.323 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001655067071 1354164515 /nfs/dbraw/zinc/16/45/15/1354164515.db2.gz VPCWKQJLOSMOEI-GFCCVEGCSA-N 1 0 331.376 2.112 10 5 EEBERO Cn1cc([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC001655855280 1354187547 /nfs/dbraw/zinc/18/75/47/1354187547.db2.gz DUVUUGOPQIMKGV-CQSZACIVSA-N 1 0 345.403 2.372 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC([NH2+][C@@H]3CCOC3)C2)nc1-c1ccccc1 ZINC001655894456 1354188824 /nfs/dbraw/zinc/18/88/24/1354188824.db2.gz DIDOCALRLKYWGW-CQSZACIVSA-N 1 0 340.383 2.224 10 5 EEBERO Cc1ccncc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001663158060 1354929175 /nfs/dbraw/zinc/92/91/75/1354929175.db2.gz KRSZDCUHOACSRL-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000846686958 790401632 /nfs/dbraw/zinc/40/16/32/790401632.db2.gz KJOPXDYEGQNEIN-UHFFFAOYSA-N 1 0 341.795 2.089 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC001135924602 784805148 /nfs/dbraw/zinc/80/51/48/784805148.db2.gz RXIYZTFKWXEZGK-INIZCTEOSA-N 1 0 342.399 2.201 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1 ZINC000819318587 785524796 /nfs/dbraw/zinc/52/47/96/785524796.db2.gz CAGKGFCYTMCCAU-GDBMZVCRSA-N 1 0 332.331 2.361 10 5 EEBERO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000912650820 788282089 /nfs/dbraw/zinc/28/20/89/788282089.db2.gz PSZGGJHYUKDSOW-DGCLKSJQSA-N 1 0 336.392 2.030 10 5 EEBERO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912908297 788466459 /nfs/dbraw/zinc/46/64/59/788466459.db2.gz LOEOFWPJPRDRPS-NSHDSACASA-N 1 0 341.770 2.236 10 5 EEBERO COc1cccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000913278147 788755796 /nfs/dbraw/zinc/75/57/96/788755796.db2.gz BKBTULGCMUNZOT-IAGOWNOFSA-N 1 0 333.388 2.017 10 5 EEBERO O=C(CCN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000923539966 789744916 /nfs/dbraw/zinc/74/49/16/789744916.db2.gz RGLUJJNSCDAVDF-QGZVFWFLSA-N 1 0 332.404 2.141 10 5 EEBERO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nc(C4CCC4)no3)CC2)n1 ZINC001175437343 798109302 /nfs/dbraw/zinc/10/93/02/798109302.db2.gz WCPJLFFTRBKJOP-UHFFFAOYSA-N 1 0 346.391 2.321 10 5 EEBERO C[N@@H+]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001178710225 799599614 /nfs/dbraw/zinc/59/96/14/799599614.db2.gz XWTNVWZICNOHCV-HNNXBMFYSA-N 1 0 333.388 2.014 10 5 EEBERO Cc1cnoc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001496814687 1101519445 /nfs/dbraw/zinc/51/94/45/1101519445.db2.gz ODLIHBZGNJACFM-UHFFFAOYSA-N 1 0 332.360 2.095 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1cocn1 ZINC001495901494 1101741263 /nfs/dbraw/zinc/74/12/63/1101741263.db2.gz OLIYHQMEBCALAI-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO COc1ccc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001497713746 1102952573 /nfs/dbraw/zinc/95/25/73/1102952573.db2.gz JJMBAUMADVQMHN-IHWYPQMZSA-N 1 0 345.355 2.272 10 5 EEBERO CCCc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001493653991 1108460449 /nfs/dbraw/zinc/46/04/49/1108460449.db2.gz XJDAJMOHKTUPKV-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCCCc2cc[nH+]c(N)c2)n1 ZINC001457433170 1109596710 /nfs/dbraw/zinc/59/67/10/1109596710.db2.gz BHSMRNZPSVBZGE-UHFFFAOYSA-N 1 0 329.360 2.028 10 5 EEBERO C[C@H](CC[NH+](C)C)C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001471818814 1110532262 /nfs/dbraw/zinc/53/22/62/1110532262.db2.gz JFMRGXSGSIOCJF-GFCCVEGCSA-N 1 0 347.419 2.108 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001472234223 1110548920 /nfs/dbraw/zinc/54/89/20/1110548920.db2.gz ZHYJTSLIJUJYGI-CYBMUJFWSA-N 1 0 337.807 2.249 10 5 EEBERO CC(C)(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001568103620 1124304343 /nfs/dbraw/zinc/30/43/43/1124304343.db2.gz YRIBSGJHGOZWRP-KBUPBQIOSA-N 1 0 325.453 2.495 10 5 EEBERO O=C(NCCC1CC[NH+](CCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568125850 1124316815 /nfs/dbraw/zinc/31/68/15/1124316815.db2.gz GNJMAJZMRKIDHM-IAGOWNOFSA-N 1 0 337.464 2.450 10 5 EEBERO CC1(C)CC(Nc2ncnc(-n3ccnc3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000040645301 213363891 /nfs/dbraw/zinc/36/38/91/213363891.db2.gz YPPIOOVWTAMRBU-UHFFFAOYSA-N 1 0 345.407 2.292 10 5 EEBERO CC(=O)c1ccc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000105791759 219526216 /nfs/dbraw/zinc/52/62/16/219526216.db2.gz NWPZXGSDNTYBID-CYBMUJFWSA-N 1 0 349.431 2.326 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187981846 236369252 /nfs/dbraw/zinc/36/92/52/236369252.db2.gz VQZINCQRVZOJGC-SJCJKPOMSA-N 1 0 335.404 2.325 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445814980 242134564 /nfs/dbraw/zinc/13/45/64/242134564.db2.gz FKIFMQALTHCDSB-YJBOKZPZSA-N 1 0 343.383 2.470 10 5 EEBERO O=[N+]([O-])c1ccc2sc(S(=O)(=O)C[C@H]3CCCC[NH2+]3)nc2c1 ZINC000095092210 218280070 /nfs/dbraw/zinc/28/00/70/218280070.db2.gz KRMHBCMXRKGISL-SECBINFHSA-N 1 0 341.414 2.120 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270321460 256123509 /nfs/dbraw/zinc/12/35/09/256123509.db2.gz UOLAZPBMUMIHON-CQSZACIVSA-N 1 0 330.388 2.171 10 5 EEBERO C[NH+](C)CCCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273957290 256341146 /nfs/dbraw/zinc/34/11/46/256341146.db2.gz OFJNPAIVSGAMQQ-UHFFFAOYSA-N 1 0 325.384 2.470 10 5 EEBERO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892926 292213698 /nfs/dbraw/zinc/21/36/98/292213698.db2.gz PLQVFKSWZDQITA-OAHLLOKOSA-N 1 0 344.371 2.480 10 5 EEBERO Cn1cc([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000116316946 152048748 /nfs/dbraw/zinc/04/87/48/152048748.db2.gz LOQOSRZAFUEGBE-ZDUSSCGKSA-N 1 0 343.387 2.146 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343870794 161176292 /nfs/dbraw/zinc/17/62/92/161176292.db2.gz DNCVCJSDCFCTEA-GHMZBOCLSA-N 1 0 339.342 2.159 10 5 EEBERO COc1ccc(NC(=O)CC[N@@H+]2CCOCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000360085968 164228723 /nfs/dbraw/zinc/22/87/23/164228723.db2.gz BUEIZBPZHFNGMZ-UHFFFAOYSA-N 1 0 349.387 2.044 10 5 EEBERO COc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000184182733 274019879 /nfs/dbraw/zinc/01/98/79/274019879.db2.gz VUCZYADTFMFMDT-UHFFFAOYSA-N 1 0 329.356 2.205 10 5 EEBERO Cc1sc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000278469475 274360828 /nfs/dbraw/zinc/36/08/28/274360828.db2.gz JRNVIDVMKQCAHJ-NSHDSACASA-N 1 0 341.433 2.195 10 5 EEBERO C[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245645722 277168696 /nfs/dbraw/zinc/16/86/96/277168696.db2.gz BMSRZBMLZNJSDG-WMLDXEAASA-N 1 0 340.383 2.352 10 5 EEBERO CC[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415703795 313169018 /nfs/dbraw/zinc/16/90/18/313169018.db2.gz RKUHHPXEHGLUBI-MRVPVSSYSA-N 1 0 331.170 2.216 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448883483 315396844 /nfs/dbraw/zinc/39/68/44/315396844.db2.gz QYDJWHHXUQOXRB-CQSZACIVSA-N 1 0 343.387 2.151 10 5 EEBERO CN(CCC[NH3+])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000567145012 319352419 /nfs/dbraw/zinc/35/24/19/319352419.db2.gz YUXQKMILCPIRMF-UHFFFAOYSA-N 1 0 331.170 2.170 10 5 EEBERO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000358698695 465271583 /nfs/dbraw/zinc/27/15/83/465271583.db2.gz MBDLZUDOKBKFNR-PWSUYJOCSA-N 1 0 341.795 2.226 10 5 EEBERO Cn1cc(CN2CC[NH+](C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127878433 462590917 /nfs/dbraw/zinc/59/09/17/462590917.db2.gz SXMSXIIULFTIRE-UHFFFAOYSA-N 1 0 341.415 2.275 10 5 EEBERO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000080899180 463363595 /nfs/dbraw/zinc/36/35/95/463363595.db2.gz CRNSUTXBCBXFHE-KZULUSFZSA-N 1 0 349.431 2.361 10 5 EEBERO C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000108951780 463630425 /nfs/dbraw/zinc/63/04/25/463630425.db2.gz PDXXSVJMHDYRNS-LLVKDONJSA-N 1 0 333.310 2.380 10 5 EEBERO C[NH+](C)C[C@H]1CCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263909920 464236304 /nfs/dbraw/zinc/23/63/04/464236304.db2.gz JVSAEJRZUJRCCI-CQSZACIVSA-N 1 0 332.404 2.335 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000174121386 464365023 /nfs/dbraw/zinc/36/50/23/464365023.db2.gz SKYHYVJMVJSURV-UHFFFAOYSA-N 1 0 338.383 2.168 10 5 EEBERO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000174865004 464460141 /nfs/dbraw/zinc/46/01/41/464460141.db2.gz UWOMWGYRROJHNG-UHFFFAOYSA-N 1 0 334.351 2.474 10 5 EEBERO CC[C@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245879180 464520677 /nfs/dbraw/zinc/52/06/77/464520677.db2.gz NAMSETHYRMSLHS-XEZPLFJOSA-N 1 0 335.404 2.271 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246129957 464548965 /nfs/dbraw/zinc/54/89/65/464548965.db2.gz JMPMEYMAXIWMQR-STQMWFEESA-N 1 0 341.433 2.006 10 5 EEBERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000248587510 464767149 /nfs/dbraw/zinc/76/71/49/464767149.db2.gz GKKCEYUDLHGXTH-KPXOXKRLSA-N 1 0 341.314 2.006 10 5 EEBERO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183200883 464821107 /nfs/dbraw/zinc/82/11/07/464821107.db2.gz DGEUGTHINCHQEK-RNCFNFMXSA-N 1 0 327.768 2.344 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177115308 464934879 /nfs/dbraw/zinc/93/48/79/464934879.db2.gz KVJQFCFCDPFLIY-DGCLKSJQSA-N 1 0 333.388 2.349 10 5 EEBERO CC[C@H](C)[NH2+][C@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])c1ccco1 ZINC000359541436 465442588 /nfs/dbraw/zinc/44/25/88/465442588.db2.gz DMEQZQYVAWKNQJ-NWDGAFQWSA-N 1 0 349.391 2.263 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000298937773 465546286 /nfs/dbraw/zinc/54/62/86/465546286.db2.gz IDRVWJVZSDJUIU-INIZCTEOSA-N 1 0 327.384 2.498 10 5 EEBERO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C1 ZINC000597091296 468440171 /nfs/dbraw/zinc/44/01/71/468440171.db2.gz CXRWQGAEDUSGFG-SNVBAGLBSA-N 1 0 341.799 2.436 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000345177619 465838789 /nfs/dbraw/zinc/83/87/89/465838789.db2.gz VPHFGTFKGKMUQZ-CYBMUJFWSA-N 1 0 343.449 2.220 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000331274928 466007242 /nfs/dbraw/zinc/00/72/42/466007242.db2.gz PTPRFXPTJDSABJ-UHFFFAOYSA-N 1 0 337.424 2.292 10 5 EEBERO O=C(C[NH2+]C1(CCO)CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000353678855 466061653 /nfs/dbraw/zinc/06/16/53/466061653.db2.gz UWBWCRAKIQCLPN-UHFFFAOYSA-N 1 0 347.415 2.159 10 5 EEBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000302380368 466136976 /nfs/dbraw/zinc/13/69/76/466136976.db2.gz GPQHETHQAPEBMG-SNVBAGLBSA-N 1 0 333.310 2.116 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000361776317 466279136 /nfs/dbraw/zinc/27/91/36/466279136.db2.gz LITLMBZYTUAWIW-GJZGRUSLSA-N 1 0 348.447 2.410 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000363410140 466384744 /nfs/dbraw/zinc/38/47/44/466384744.db2.gz CKGKSUOWCLVCOV-UHFFFAOYSA-N 1 0 328.368 2.223 10 5 EEBERO Cc1ccc([C@@H](C)[NH2+]CCn2nc3ccccn3c2=O)cc1[N+](=O)[O-] ZINC000358099586 466454334 /nfs/dbraw/zinc/45/43/34/466454334.db2.gz NVWCBNQUOLOCCO-CYBMUJFWSA-N 1 0 341.371 2.063 10 5 EEBERO COc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000370192488 466792318 /nfs/dbraw/zinc/79/23/18/466792318.db2.gz GYYGFTZWJIOOIH-UHFFFAOYSA-N 1 0 333.388 2.350 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000370996535 467067185 /nfs/dbraw/zinc/06/71/85/467067185.db2.gz DZNYPHDYZHPCQK-RHSMWYFYSA-N 1 0 328.372 2.298 10 5 EEBERO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000450951903 467214130 /nfs/dbraw/zinc/21/41/30/467214130.db2.gz GUSCNIBBYYZDSI-AWEZNQCLSA-N 1 0 342.399 2.160 10 5 EEBERO COc1cc(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000428847842 467274920 /nfs/dbraw/zinc/27/49/20/467274920.db2.gz WPKXOQPVCXZXPB-SJCJKPOMSA-N 1 0 343.383 2.351 10 5 EEBERO COc1cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000434693421 467418571 /nfs/dbraw/zinc/41/85/71/467418571.db2.gz MMSMHNPGUIVMCC-OKILXGFUSA-N 1 0 337.420 2.144 10 5 EEBERO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449784748 467714704 /nfs/dbraw/zinc/71/47/04/467714704.db2.gz CFOHJBKGASPWJA-CQSZACIVSA-N 1 0 345.399 2.353 10 5 EEBERO CN(CCCC[NH+](C)C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000589839077 468188814 /nfs/dbraw/zinc/18/88/14/468188814.db2.gz WDUFJNKLXSFQNM-UHFFFAOYSA-N 1 0 329.347 2.216 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600472665 468566909 /nfs/dbraw/zinc/56/69/09/468566909.db2.gz OCORSNVBVHSEKW-AWEZNQCLSA-N 1 0 333.388 2.350 10 5 EEBERO Cn1cc(CN[C@H]2CC[NH2+]C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600768891 468652111 /nfs/dbraw/zinc/65/21/11/468652111.db2.gz HOYFYXYFGLYYBE-INIZCTEOSA-N 1 0 341.415 2.370 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 ZINC000594990380 468738869 /nfs/dbraw/zinc/73/88/69/468738869.db2.gz PIAMAUSIOIYMFZ-IAGOWNOFSA-N 1 0 331.416 2.328 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000595046311 468748303 /nfs/dbraw/zinc/74/83/03/468748303.db2.gz PCBGUUVYSWFSNR-SJCJKPOMSA-N 1 0 338.404 2.432 10 5 EEBERO CC[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601126090 468751942 /nfs/dbraw/zinc/75/19/42/468751942.db2.gz YKQYKEYKPRMYON-SECBINFHSA-N 1 0 335.330 2.125 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000601147548 468761150 /nfs/dbraw/zinc/76/11/50/468761150.db2.gz RGLWDTUEYRHGJS-JTQLQIEISA-N 1 0 347.341 2.412 10 5 EEBERO CC(C)[N@@H+]1CC[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000601172653 468770070 /nfs/dbraw/zinc/77/00/70/468770070.db2.gz DWTJYKSTGQZJBV-VIFPVBQESA-N 1 0 335.330 2.266 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333493 468830000 /nfs/dbraw/zinc/83/00/00/468830000.db2.gz DVXOXDVHXVAQFC-YOEHRIQHSA-N 1 0 346.431 2.306 10 5 EEBERO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601366662 468843051 /nfs/dbraw/zinc/84/30/51/468843051.db2.gz FULMHGWNUXIXGK-NSHDSACASA-N 1 0 347.462 2.117 10 5 EEBERO COC(=O)c1ccnc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598596647 468927215 /nfs/dbraw/zinc/92/72/15/468927215.db2.gz RCGJZLPABVHSAC-TXEJJXNPSA-N 1 0 336.392 2.451 10 5 EEBERO CCC(C)(C)[NH+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598631761 468939613 /nfs/dbraw/zinc/93/96/13/468939613.db2.gz VKHDUQGGIBPRRU-UHFFFAOYSA-N 1 0 336.392 2.087 10 5 EEBERO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000599003304 469084658 /nfs/dbraw/zinc/08/46/58/469084658.db2.gz HXTJWQQAZUMAHS-ZDUSSCGKSA-N 1 0 331.372 2.275 10 5 EEBERO Cc1ccc(NCCCNC(=O)NCCC2(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000593706285 469103223 /nfs/dbraw/zinc/10/32/23/469103223.db2.gz JIVIHOWYUGYLTQ-UHFFFAOYSA-N 1 0 349.435 2.133 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000593754922 469124606 /nfs/dbraw/zinc/12/46/06/469124606.db2.gz SXERUPRVGJPEMP-UHFFFAOYSA-N 1 0 325.413 2.149 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599165758 469145390 /nfs/dbraw/zinc/14/53/90/469145390.db2.gz RZVZLZQPMIUPLT-CQSZACIVSA-N 1 0 332.404 2.383 10 5 EEBERO COCC[N@@H+]1CC[C@H](Nc2cc(OC)c([N+](=O)[O-])cc2Cl)C1 ZINC000596124085 469166971 /nfs/dbraw/zinc/16/69/71/469166971.db2.gz RYWAIFXQUUBNCW-JTQLQIEISA-N 1 0 329.784 2.389 10 5 EEBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000602173424 469225097 /nfs/dbraw/zinc/22/50/97/469225097.db2.gz PZJXDHMGAWQBGV-JKSUJKDBSA-N 1 0 347.415 2.403 10 5 EEBERO C[NH+](C)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000611525034 469272226 /nfs/dbraw/zinc/27/22/26/469272226.db2.gz FFBZMIOTLSFKIZ-INIZCTEOSA-N 1 0 330.388 2.384 10 5 EEBERO C[NH2+]C1(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCC1 ZINC000600826063 485629538 /nfs/dbraw/zinc/62/95/38/485629538.db2.gz LQUNWFDPISWZFQ-UHFFFAOYSA-N 1 0 329.303 2.068 10 5 EEBERO Cc1c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000176892251 533734623 /nfs/dbraw/zinc/73/46/23/533734623.db2.gz PXNYRLSLNUTCHL-ZDUSSCGKSA-N 1 0 349.431 2.068 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000174130629 528961151 /nfs/dbraw/zinc/96/11/51/528961151.db2.gz RTGKTACBMULTNQ-UHFFFAOYSA-N 1 0 335.404 2.212 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000174980814 529303257 /nfs/dbraw/zinc/30/32/57/529303257.db2.gz ISBLTMBQNZZLBJ-UONOGXRCSA-N 1 0 332.404 2.092 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000747822988 577950635 /nfs/dbraw/zinc/95/06/35/577950635.db2.gz GJNILTQZPDVDRA-KGLIPLIRSA-N 1 0 345.403 2.354 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC[N@@H+]1C ZINC000925329394 692753298 /nfs/dbraw/zinc/75/32/98/692753298.db2.gz ANVVCLHXQXEKQH-DOMZBBRYSA-N 1 0 332.404 2.361 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1coc(C2CC2)n1 ZINC001267437134 1179014546 /nfs/dbraw/zinc/01/45/46/1179014546.db2.gz MXUSDQBRFTYEBJ-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO CCCSCC(=O)NCC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001267673642 1180140574 /nfs/dbraw/zinc/14/05/74/1180140574.db2.gz DQGYWXGSPDZDSK-UHFFFAOYSA-N 1 0 337.445 2.286 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cc(Cl)c[nH]1 ZINC001481206460 1180153582 /nfs/dbraw/zinc/15/35/82/1180153582.db2.gz XFZKALIALDTAHC-UHFFFAOYSA-N 1 0 342.808 2.500 10 5 EEBERO Cc1cc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)[nH]1 ZINC001481284839 1180837330 /nfs/dbraw/zinc/83/73/30/1180837330.db2.gz IYZVJORODWJFDM-UHFFFAOYSA-N 1 0 336.417 2.463 10 5 EEBERO CCc1ocnc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001483722757 1190819583 /nfs/dbraw/zinc/81/95/83/1190819583.db2.gz SDCZMSRLZIDNQB-UHFFFAOYSA-N 1 0 344.371 2.197 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cccnc1 ZINC001273323654 1198168434 /nfs/dbraw/zinc/16/84/34/1198168434.db2.gz AUEDXMLBZGVCMG-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO C[NH+](C)Cc1cccc(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000870828006 1200895330 /nfs/dbraw/zinc/89/53/30/1200895330.db2.gz JAGFWIXPYXRZJB-UHFFFAOYSA-N 1 0 344.371 2.413 10 5 EEBERO COc1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])cc1F ZINC000871158369 1201079480 /nfs/dbraw/zinc/07/94/80/1201079480.db2.gz ZQFVXWPITBFBID-UHFFFAOYSA-N 1 0 339.367 2.299 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1CCO ZINC000866367047 1201501252 /nfs/dbraw/zinc/50/12/52/1201501252.db2.gz VAZWETQIDSOFME-CZUORRHYSA-N 1 0 339.411 2.101 10 5 EEBERO O=C1[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000880503275 1201506538 /nfs/dbraw/zinc/50/65/38/1201506538.db2.gz BWUQFORGPWGDSV-NUJGCVRESA-N 1 0 345.399 2.391 10 5 EEBERO CC(=O)c1c(NC2CCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000881801898 1201761992 /nfs/dbraw/zinc/76/19/92/1201761992.db2.gz FUOPVWUNUPCZIQ-UHFFFAOYSA-N 1 0 334.420 2.235 10 5 EEBERO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000882485487 1201880349 /nfs/dbraw/zinc/88/03/49/1201880349.db2.gz SYJQKZJZMFQSHM-PWSUYJOCSA-N 1 0 341.795 2.226 10 5 EEBERO Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000869055122 1201929981 /nfs/dbraw/zinc/92/99/81/1201929981.db2.gz QZIALMCOJMKIBW-GJZGRUSLSA-N 1 0 332.404 2.139 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887931597 1204511104 /nfs/dbraw/zinc/51/11/04/1204511104.db2.gz AIBMOAOAAGQNGY-KDOFPFPSSA-N 1 0 331.416 2.283 10 5 EEBERO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ccc1[N+](=O)[O-] ZINC000928102004 1206344157 /nfs/dbraw/zinc/34/41/57/1206344157.db2.gz KXZXRINYDPBPQN-DZGCQCFKSA-N 1 0 335.429 2.213 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928433560 1206382942 /nfs/dbraw/zinc/38/29/42/1206382942.db2.gz MPNMUTNPGSRDML-KWQFWETISA-N 1 0 331.294 2.436 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284068 1206621695 /nfs/dbraw/zinc/62/16/95/1206621695.db2.gz NBCJPZQSXGZZKH-UHFFFAOYSA-N 1 0 349.431 2.290 10 5 EEBERO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](CCCCCO)CC3)nc2c1 ZINC000931497219 1207397608 /nfs/dbraw/zinc/39/76/08/1207397608.db2.gz KJHVVTXFFWMTCS-UHFFFAOYSA-N 1 0 348.403 2.016 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000827247322 1238682516 /nfs/dbraw/zinc/68/25/16/1238682516.db2.gz WCXOUAFRHYMMDL-LLLHUVSDSA-N 1 0 329.400 2.251 10 5 EEBERO CC[NH+]1CCN(CC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000803615225 1240980965 /nfs/dbraw/zinc/98/09/65/1240980965.db2.gz NAQUPMGWJLLSFK-UHFFFAOYSA-N 1 0 348.447 2.468 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903974325 1242813121 /nfs/dbraw/zinc/81/31/21/1242813121.db2.gz OLRZCWMXUOFOJG-ZDUSSCGKSA-N 1 0 339.823 2.497 10 5 EEBERO COc1ccc(CN2CC[C@H]2CNc2nn(C)cc2[N+](=O)[O-])cc1 ZINC001187081460 1279390220 /nfs/dbraw/zinc/39/02/20/1279390220.db2.gz LSADFHPEIRPWPI-ZDUSSCGKSA-N 1 0 331.376 2.023 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC000854139168 1292642873 /nfs/dbraw/zinc/64/28/73/1292642873.db2.gz JQCHCFDQMLTSEM-SNVBAGLBSA-N 1 0 340.343 2.420 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000857635093 1293874191 /nfs/dbraw/zinc/87/41/91/1293874191.db2.gz RFNTZPAEQZGNPH-VIFPVBQESA-N 1 0 327.331 2.476 10 5 EEBERO Cc1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1Br ZINC000858813038 1294233602 /nfs/dbraw/zinc/23/36/02/1294233602.db2.gz ZOKXGECEEZNDCS-SNVBAGLBSA-N 1 0 344.209 2.144 10 5 EEBERO COc1cc(Cc2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000863663408 1296371676 /nfs/dbraw/zinc/37/16/76/1296371676.db2.gz AONCCDPGDZGVGK-HZMBPMFUSA-N 1 0 336.323 2.197 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001293251694 1328646081 /nfs/dbraw/zinc/64/60/81/1328646081.db2.gz DNWBKMRCKPQVMN-CYBMUJFWSA-N 1 0 333.388 2.208 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3CC[C@H]4C[N@H+](C)C[C@H]43)c2c1 ZINC001164380669 1321367574 /nfs/dbraw/zinc/36/75/74/1321367574.db2.gz YQIWJVJMARVAGG-SGIREYDYSA-N 1 0 342.399 2.326 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001262265229 1322266103 /nfs/dbraw/zinc/26/61/03/1322266103.db2.gz NOEUNXOWNSIBMJ-CABCVRRESA-N 1 0 335.379 2.410 10 5 EEBERO O=C(Cc1ccc[nH]1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001280545994 1324288812 /nfs/dbraw/zinc/28/88/12/1324288812.db2.gz TYNMAMKLZTYWKR-UHFFFAOYSA-N 1 0 342.399 2.294 10 5 EEBERO O=C(CCCF)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001316635790 1326768220 /nfs/dbraw/zinc/76/82/20/1326768220.db2.gz SZMJLNVRBUIDDD-UMSPYCQHSA-N 1 0 329.397 2.390 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001290306249 1328173315 /nfs/dbraw/zinc/17/33/15/1328173315.db2.gz MIBNKXWAOZPGKD-INIZCTEOSA-N 1 0 346.362 2.470 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)[nH]1 ZINC001317632206 1332338273 /nfs/dbraw/zinc/33/82/73/1332338273.db2.gz GIBHFCWOHVQCSJ-UHFFFAOYSA-N 1 0 336.779 2.438 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC001333484425 1336057489 /nfs/dbraw/zinc/05/74/89/1336057489.db2.gz YACXSPNXOBPDNH-ABAIWWIYSA-N 1 0 337.807 2.343 10 5 EEBERO CC1(C)CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC(C)(C)[NH2+]1 ZINC001351008314 1337780830 /nfs/dbraw/zinc/78/08/30/1337780830.db2.gz WOFVTCZCTLKYSU-UHFFFAOYSA-N 1 0 349.387 2.316 10 5 EEBERO C[C@@H]1C[C@@H](NC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000848583993 1338725490 /nfs/dbraw/zinc/72/54/90/1338725490.db2.gz LBCVEWDURZWNQU-MNOVXSKESA-N 1 0 343.330 2.165 10 5 EEBERO COC(=O)[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC001620493348 1352359663 /nfs/dbraw/zinc/35/96/63/1352359663.db2.gz SXRIQZXHEXKPDV-PRXAMGSTSA-N 1 0 349.387 2.053 10 5 EEBERO COC(=O)C[C@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001560083996 1342506514 /nfs/dbraw/zinc/50/65/14/1342506514.db2.gz FZXBNOJJXOWNFG-KRWDZBQOSA-N 1 0 349.387 2.245 10 5 EEBERO O=C(CCC(F)F)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001566847323 1342640821 /nfs/dbraw/zinc/64/08/21/1342640821.db2.gz ZKQGPQPWPRPFTH-TXEJJXNPSA-N 1 0 327.331 2.377 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C(C)(C)C1 ZINC001597314126 1349921997 /nfs/dbraw/zinc/92/19/97/1349921997.db2.gz PJPOMICRUDGPFR-OAHLLOKOSA-N 1 0 343.387 2.055 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001598113794 1349935581 /nfs/dbraw/zinc/93/55/81/1349935581.db2.gz XFAWMFNLKOBBSO-VHSXEESVSA-N 1 0 340.811 2.385 10 5 EEBERO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001626741584 1352472032 /nfs/dbraw/zinc/47/20/32/1352472032.db2.gz LZSGUGPHUVQSFW-TXEJJXNPSA-N 1 0 349.435 2.058 10 5 EEBERO CC[N@@H+]1C[C@H](NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646587396 1352875942 /nfs/dbraw/zinc/87/59/42/1352875942.db2.gz TUXOYOXNEHBTQD-HNNXBMFYSA-N 1 0 335.404 2.372 10 5 EEBERO CC[N@@H+]1C[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC001646585668 1352876230 /nfs/dbraw/zinc/87/62/30/1352876230.db2.gz BRALHLWXZHUTLZ-INIZCTEOSA-N 1 0 347.415 2.404 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)o1 ZINC001647748852 1353400542 /nfs/dbraw/zinc/40/05/42/1353400542.db2.gz KLWZWHNCMTXWJI-FRRDWIJNSA-N 1 0 344.371 2.238 10 5 EEBERO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001648531195 1353433177 /nfs/dbraw/zinc/43/31/77/1353433177.db2.gz QENQCSSNABWBHV-ZDUSSCGKSA-N 1 0 344.375 2.191 10 5 EEBERO CC[C@H](C)[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001654845227 1354159596 /nfs/dbraw/zinc/15/95/96/1354159596.db2.gz YDTVCLRVRYWYJQ-QWHCGFSZSA-N 1 0 343.449 2.240 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001655102278 1354165224 /nfs/dbraw/zinc/16/52/24/1354165224.db2.gz RRVHZBPAOGGSFB-BBRMVZONSA-N 1 0 336.388 2.026 10 5 EEBERO CC[N@H+](CCC(=O)NC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655780507 1354184088 /nfs/dbraw/zinc/18/40/88/1354184088.db2.gz DEIZRDZVMBNVKP-NSHDSACASA-N 1 0 347.375 2.164 10 5 EEBERO CC(C)n1cnc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001663239441 1354939711 /nfs/dbraw/zinc/93/97/11/1354939711.db2.gz DNJBQEFMBGSLFG-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO CCc1cncc(C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001664072802 1355087151 /nfs/dbraw/zinc/08/71/51/1355087151.db2.gz MWVZZEYUIFSPHY-UHFFFAOYSA-N 1 0 348.428 2.476 10 5 EEBERO CC(C)n1cc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001664304237 1355134476 /nfs/dbraw/zinc/13/44/76/1355134476.db2.gz HIANAWCPJDWGMO-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO Cc1noc(C)c1CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819143586 785421364 /nfs/dbraw/zinc/42/13/64/785421364.db2.gz IJVICRSKNYCDFU-HNNXBMFYSA-N 1 0 349.387 2.162 10 5 EEBERO C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000912033999 787902906 /nfs/dbraw/zinc/90/29/06/787902906.db2.gz QRHKDZMGTINANE-AWEZNQCLSA-N 1 0 337.395 2.465 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C[C@@]2(C)C1 ZINC000913288441 788764172 /nfs/dbraw/zinc/76/41/72/788764172.db2.gz ORQSFTDPHQRADO-QZTJIDSGSA-N 1 0 342.399 2.490 10 5 EEBERO C[C@H]([NH2+]C[C@@H](O)CN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001176036858 798326647 /nfs/dbraw/zinc/32/66/47/798326647.db2.gz PSQVOKXFEMWMAW-GXFFZTMASA-N 1 0 335.326 2.100 10 5 EEBERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000922162076 799594587 /nfs/dbraw/zinc/59/45/87/799594587.db2.gz JIELDVPNOWAOAE-CQSZACIVSA-N 1 0 332.404 2.019 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001441513972 1095206504 /nfs/dbraw/zinc/20/65/04/1095206504.db2.gz RZPAQSSZBJXKFE-BETUJISGSA-N 1 0 334.420 2.396 10 5 EEBERO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001444607192 1099434602 /nfs/dbraw/zinc/43/46/02/1099434602.db2.gz JKJWKVAHCSSUNZ-UHFFFAOYSA-N 1 0 341.799 2.062 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC001444666638 1099504740 /nfs/dbraw/zinc/50/47/40/1099504740.db2.gz GRKYSQMAUARMPD-RISCZKNCSA-N 1 0 349.387 2.440 10 5 EEBERO O=C(Nc1ccc2c[nH+]cn2c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001456449793 1109180152 /nfs/dbraw/zinc/18/01/52/1109180152.db2.gz VGJJUZLEEFMTOL-UHFFFAOYSA-N 1 0 349.310 2.076 10 5 EEBERO CCC[NH+]1CCN(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001464813625 1110404083 /nfs/dbraw/zinc/40/40/83/1110404083.db2.gz ZVKBVKCYEZEWIW-UHFFFAOYSA-N 1 0 325.796 2.345 10 5 EEBERO O=C(CCC(F)F)NCC1(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001499290438 1112219773 /nfs/dbraw/zinc/21/97/73/1112219773.db2.gz YWKUAOPJBAOZOO-UHFFFAOYSA-N 1 0 333.360 2.440 10 5 EEBERO CC(C)OCC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001506956353 1115004387 /nfs/dbraw/zinc/00/43/87/1115004387.db2.gz YSQISKKABNOWPY-UHFFFAOYSA-N 1 0 349.431 2.443 10 5 EEBERO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001543797116 1124135071 /nfs/dbraw/zinc/13/50/71/1124135071.db2.gz NRLWUCGZGVJBJM-UHFFFAOYSA-N 1 0 338.327 2.318 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001568236446 1124378769 /nfs/dbraw/zinc/37/87/69/1124378769.db2.gz OVWMNNBOBXYWIZ-HNNXBMFYSA-N 1 0 345.403 2.208 10 5 EEBERO C[NH+](C)C1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066395771 215037821 /nfs/dbraw/zinc/03/78/21/215037821.db2.gz NRSDNXBXSUBYTG-UHFFFAOYSA-N 1 0 334.420 2.340 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCC[NH2+]1 ZINC000037040244 213131719 /nfs/dbraw/zinc/13/17/19/213131719.db2.gz STGNVUQIOQTUAY-NSHDSACASA-N 1 0 328.166 2.438 10 5 EEBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000186868300 236047737 /nfs/dbraw/zinc/04/77/37/236047737.db2.gz NSAYMYBMSKULIW-CMPLNLGQSA-N 1 0 341.795 2.131 10 5 EEBERO O=[N+]([O-])c1ccc2sc([S@@](=O)C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092236 218280051 /nfs/dbraw/zinc/28/00/51/218280051.db2.gz VVAGFLIYSKSOCA-AOUSDQRYSA-N 1 0 325.415 2.312 10 5 EEBERO O=C(CCN1CCC[N@@H+](C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000172347557 159782475 /nfs/dbraw/zinc/78/24/75/159782475.db2.gz VNJORZLJFRILPT-UHFFFAOYSA-N 1 0 332.404 2.094 10 5 EEBERO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000246864748 160298227 /nfs/dbraw/zinc/29/82/27/160298227.db2.gz FVAZTOOEQDQVNV-HUUCEWRRSA-N 1 0 334.376 2.281 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000134884792 292439096 /nfs/dbraw/zinc/43/90/96/292439096.db2.gz BPIIKQLIYZINKI-ZDUSSCGKSA-N 1 0 346.431 2.217 10 5 EEBERO Cc1sc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000342512163 161071070 /nfs/dbraw/zinc/07/10/70/161071070.db2.gz ONDJKFGASKHCBG-ONGXEEELSA-N 1 0 347.462 2.068 10 5 EEBERO COc1cc(CN2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000352776581 162282555 /nfs/dbraw/zinc/28/25/55/162282555.db2.gz DCMWTMRZDAISLQ-ZFWWWQNUSA-N 1 0 325.434 2.081 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000369144969 166198832 /nfs/dbraw/zinc/19/88/32/166198832.db2.gz RMAFIASVVOGNMS-INIZCTEOSA-N 1 0 349.431 2.160 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCC(C)CC2)n1 ZINC000191773448 274052027 /nfs/dbraw/zinc/05/20/27/274052027.db2.gz WNQADFREEJVKAB-UHFFFAOYSA-N 1 0 337.424 2.053 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000360257941 278076987 /nfs/dbraw/zinc/07/69/87/278076987.db2.gz MZBLOTOFWOZTIB-UHFFFAOYSA-N 1 0 329.360 2.028 10 5 EEBERO O=C(c1cc(N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000299349944 294722291 /nfs/dbraw/zinc/72/22/91/294722291.db2.gz QSKGKYNDWDQREU-UHFFFAOYSA-N 1 0 344.415 2.115 10 5 EEBERO C[NH+](C)[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000301824988 294899795 /nfs/dbraw/zinc/89/97/95/294899795.db2.gz DJRLNGAZWZDPFG-CYBMUJFWSA-N 1 0 326.360 2.352 10 5 EEBERO C[NH+](C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1cccc(F)c1 ZINC000301855081 294903377 /nfs/dbraw/zinc/90/33/77/294903377.db2.gz YOUQFXCUFWPZTL-ZDUSSCGKSA-N 1 0 344.350 2.491 10 5 EEBERO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416468780 313231251 /nfs/dbraw/zinc/23/12/51/313231251.db2.gz HAXARQVWODRSOT-UHFFFAOYSA-N 1 0 343.449 2.174 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416483898 313234756 /nfs/dbraw/zinc/23/47/56/313234756.db2.gz OTRZMKPXYTYMRL-ZDUSSCGKSA-N 1 0 343.449 2.219 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418573322 313850050 /nfs/dbraw/zinc/85/00/50/313850050.db2.gz LECRHFAXXUVPFX-WBMJQRKESA-N 1 0 332.404 2.267 10 5 EEBERO CC(C)[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](O)CO ZINC000421412702 314099483 /nfs/dbraw/zinc/09/94/83/314099483.db2.gz UMUSRDGYFLDNJP-ZDUSSCGKSA-N 1 0 334.372 2.418 10 5 EEBERO Cc1cc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542120300 318121901 /nfs/dbraw/zinc/12/19/01/318121901.db2.gz RBBHURWIKFEAPE-HSOHIQCKSA-N 1 0 340.383 2.295 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000576108035 320141507 /nfs/dbraw/zinc/14/15/07/320141507.db2.gz KHYDSXLJZMFIDA-CYBMUJFWSA-N 1 0 329.347 2.421 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576747412 320200593 /nfs/dbraw/zinc/20/05/93/320200593.db2.gz AFQAONDXQPYWJK-AWEZNQCLSA-N 1 0 334.420 2.391 10 5 EEBERO O=[N+]([O-])c1cncc(Br)c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577728224 320272257 /nfs/dbraw/zinc/27/22/57/320272257.db2.gz OVFFRSGYDJUIRT-CYBMUJFWSA-N 1 0 341.209 2.332 10 5 EEBERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000052166703 463065695 /nfs/dbraw/zinc/06/56/95/463065695.db2.gz DCJXPFUSYMTVLM-UHFFFAOYSA-N 1 0 328.372 2.449 10 5 EEBERO NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000070005506 463363965 /nfs/dbraw/zinc/36/39/65/463363965.db2.gz HSDDHTXPQRHETP-JKSUJKDBSA-N 1 0 347.415 2.209 10 5 EEBERO Cc1sc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032270735 463369680 /nfs/dbraw/zinc/36/96/80/463369680.db2.gz PFELCSLACVZVOH-GFCCVEGCSA-N 1 0 341.433 2.051 10 5 EEBERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160909747 463382140 /nfs/dbraw/zinc/38/21/40/463382140.db2.gz OFLNDNMGCVYVRF-CVEARBPZSA-N 1 0 333.388 2.092 10 5 EEBERO CC[C@H]1CN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000125512002 463551865 /nfs/dbraw/zinc/55/18/65/463551865.db2.gz QZAFHSGYKMVUJO-LBPRGKRZSA-N 1 0 341.383 2.290 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751300 463647476 /nfs/dbraw/zinc/64/74/76/463647476.db2.gz JQSGGBWJYHVLBE-SFHVURJKSA-N 1 0 332.448 2.197 10 5 EEBERO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000261567172 463794348 /nfs/dbraw/zinc/79/43/48/463794348.db2.gz HQRYANLUJJWUTC-BDAKNGLRSA-N 1 0 329.198 2.316 10 5 EEBERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000261623576 463806510 /nfs/dbraw/zinc/80/65/10/463806510.db2.gz GIXDVEDXRWTTOJ-RVSPLBMKSA-N 1 0 333.388 2.374 10 5 EEBERO COc1cc(C[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194315291 463834176 /nfs/dbraw/zinc/83/41/76/463834176.db2.gz SRWPZKUOQMMBNZ-WMZOPIPTSA-N 1 0 346.383 2.096 10 5 EEBERO [NH3+]CCN(CCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261749970 463848649 /nfs/dbraw/zinc/84/86/49/463848649.db2.gz LSUIFNLLYWMYAT-UHFFFAOYSA-N 1 0 342.399 2.037 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000284995544 464419402 /nfs/dbraw/zinc/41/94/02/464419402.db2.gz LPKHVDNFNWTCKF-IAGOWNOFSA-N 1 0 328.372 2.052 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000175436319 464548797 /nfs/dbraw/zinc/54/87/97/464548797.db2.gz SQCAYJUGXOQSLR-QWHCGFSZSA-N 1 0 333.388 2.302 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182196758 464595747 /nfs/dbraw/zinc/59/57/47/464595747.db2.gz WHDFXKWBEOCINU-ZDUSSCGKSA-N 1 0 327.812 2.137 10 5 EEBERO Cn1nccc1C1=CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000285583341 464617608 /nfs/dbraw/zinc/61/76/08/464617608.db2.gz LDJSUMBKDGNQBM-KRWDZBQOSA-N 1 0 328.372 2.151 10 5 EEBERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000176878887 464873223 /nfs/dbraw/zinc/87/32/23/464873223.db2.gz GIIQZOZLRBXDSV-AWEZNQCLSA-N 1 0 349.431 2.068 10 5 EEBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000286391427 464902205 /nfs/dbraw/zinc/90/22/05/464902205.db2.gz NBLRCVKEQYPUSP-KBPBESRZSA-N 1 0 325.434 2.341 10 5 EEBERO CC[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000254929765 465020017 /nfs/dbraw/zinc/02/00/17/465020017.db2.gz RQUVLCMVXNTBCG-CXOKCQFOSA-N 1 0 347.415 2.177 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000299239372 465659480 /nfs/dbraw/zinc/65/94/80/465659480.db2.gz LNBLJGZCFNIUIL-UHFFFAOYSA-N 1 0 341.795 2.043 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362452097 465751950 /nfs/dbraw/zinc/75/19/50/465751950.db2.gz UWOYZJOXAHDQIP-CZUORRHYSA-N 1 0 333.388 2.343 10 5 EEBERO CCN(CCC[NH+](CC)CC)C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000357104690 465777293 /nfs/dbraw/zinc/77/72/93/465777293.db2.gz WPVBEUMPQMXNDI-UHFFFAOYSA-N 1 0 325.413 2.005 10 5 EEBERO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCNc1cc[nH+]cc1 ZINC000361378038 465948600 /nfs/dbraw/zinc/94/86/00/465948600.db2.gz PZKFIEMNOPPVEI-OAHLLOKOSA-N 1 0 342.399 2.209 10 5 EEBERO CCCc1n[nH]c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000346213048 465998546 /nfs/dbraw/zinc/99/85/46/465998546.db2.gz YCXQCTUFGKMHSN-TXEJJXNPSA-N 1 0 337.424 2.263 10 5 EEBERO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362777913 466019162 /nfs/dbraw/zinc/01/91/62/466019162.db2.gz YEJUFIZRRDDHIQ-NSHDSACASA-N 1 0 341.358 2.406 10 5 EEBERO CO[C@]1(CO)CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597186025 468475535 /nfs/dbraw/zinc/47/55/35/468475535.db2.gz ARQJFISJYDYUCD-OAHLLOKOSA-N 1 0 346.330 2.170 10 5 EEBERO C[C@@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccccc1[N+](=O)[O-] ZINC000357933161 466328094 /nfs/dbraw/zinc/32/80/94/466328094.db2.gz ISSJNEUDWBBUBR-MNOVXSKESA-N 1 0 329.360 2.236 10 5 EEBERO Cn1cc(C[N@@H+]2CCC3(COC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597228797 468487932 /nfs/dbraw/zinc/48/79/32/468487932.db2.gz GSCJUEMJYTZGKJ-UHFFFAOYSA-N 1 0 328.372 2.218 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347351309 466584791 /nfs/dbraw/zinc/58/47/91/466584791.db2.gz DSLYDYBOXCCGOZ-JBXOJTMHSA-N 1 0 333.432 2.387 10 5 EEBERO COc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000591680719 468502359 /nfs/dbraw/zinc/50/23/59/468502359.db2.gz AJCIGNPZFVSURL-LLVKDONJSA-N 1 0 335.385 2.403 10 5 EEBERO CC(=O)c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000408523454 466677819 /nfs/dbraw/zinc/67/78/19/466677819.db2.gz KFCUTTNHTYATIY-UHFFFAOYSA-N 1 0 347.415 2.489 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000428485821 467238727 /nfs/dbraw/zinc/23/87/27/467238727.db2.gz QIRMZJXKYYFHIR-GFCCVEGCSA-N 1 0 345.321 2.404 10 5 EEBERO COC(=O)[C@@H]1CSCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414569633 467421165 /nfs/dbraw/zinc/42/11/65/467421165.db2.gz PUVICLMWBOJIBV-YVZNUBBCSA-N 1 0 336.413 2.446 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000414651159 467425524 /nfs/dbraw/zinc/42/55/24/467425524.db2.gz FICMRVDMRHQXMQ-INIZCTEOSA-N 1 0 334.376 2.211 10 5 EEBERO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000415101437 467489769 /nfs/dbraw/zinc/48/97/69/467489769.db2.gz BLNMQQGDRDYMKH-HIFRSBDPSA-N 1 0 325.434 2.375 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000449722415 467699533 /nfs/dbraw/zinc/69/95/33/467699533.db2.gz PQCVWFCBCFFCSU-NSHDSACASA-N 1 0 335.282 2.003 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000589499661 468156617 /nfs/dbraw/zinc/15/66/17/468156617.db2.gz WFPWDLXFMIGNRL-HNNXBMFYSA-N 1 0 335.404 2.344 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000589495946 468156985 /nfs/dbraw/zinc/15/69/85/468156985.db2.gz MDPLLNRJKITAIJ-MRXNPFEDSA-N 1 0 347.415 2.442 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000589518318 468159415 /nfs/dbraw/zinc/15/94/15/468159415.db2.gz GYYBFQCGOBFHCV-XYPWUTKMSA-N 1 0 347.415 2.438 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600472666 468567453 /nfs/dbraw/zinc/56/74/53/468567453.db2.gz OCORSNVBVHSEKW-CQSZACIVSA-N 1 0 333.388 2.350 10 5 EEBERO COc1ccccc1C1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000592143109 468634877 /nfs/dbraw/zinc/63/48/77/468634877.db2.gz PHCZYAOJLOZXBD-UHFFFAOYSA-N 1 0 329.356 2.044 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592475874 468705783 /nfs/dbraw/zinc/70/57/83/468705783.db2.gz CQFGWARPVPHRMW-CABCVRRESA-N 1 0 346.431 2.306 10 5 EEBERO COc1cc(CSC[C@@H]2CN(C)CCO2)c([N+](=O)[O-])cc1F ZINC000571325547 468772300 /nfs/dbraw/zinc/77/23/00/468772300.db2.gz SUXSTVXNUSLHTO-NSHDSACASA-N 1 0 330.381 2.306 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000595258230 468795246 /nfs/dbraw/zinc/79/52/46/468795246.db2.gz SWMZXGOFJHPNLJ-QGZVFWFLSA-N 1 0 341.367 2.437 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000595630918 468930789 /nfs/dbraw/zinc/93/07/89/468930789.db2.gz CXAIGNAIXSDRIO-DAXOMENPSA-N 1 0 338.404 2.259 10 5 EEBERO O=C(CC[N@H+]1CCC[C@](O)(C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595752593 468988442 /nfs/dbraw/zinc/98/84/42/468988442.db2.gz UNGDULKJLRHLPH-QGZVFWFLSA-N 1 0 333.388 2.160 10 5 EEBERO C[C@H](C(=O)N[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000601774769 469018623 /nfs/dbraw/zinc/01/86/23/469018623.db2.gz DMXYSKFNWPDFNK-KDOFPFPSSA-N 1 0 349.431 2.183 10 5 EEBERO C[NH+](C)[C@H](CNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccsc1 ZINC000587137470 469086411 /nfs/dbraw/zinc/08/64/11/469086411.db2.gz HRWNSNBUOGKPPR-CQSZACIVSA-N 1 0 336.417 2.446 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)N[C@@]3(C)CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000595993024 469108927 /nfs/dbraw/zinc/10/89/27/469108927.db2.gz VENPHEKNXRYPMX-ACJLOTCBSA-N 1 0 346.431 2.313 10 5 EEBERO C[C@@](O)(C[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000601967629 469118664 /nfs/dbraw/zinc/11/86/64/469118664.db2.gz VNWJJHYCOWGBKE-GDBMZVCRSA-N 1 0 342.823 2.292 10 5 EEBERO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)C2 ZINC000601973030 469121104 /nfs/dbraw/zinc/12/11/04/469121104.db2.gz BOZPYTWIVIDCFQ-IYBDPMFKSA-N 1 0 335.429 2.145 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000611336144 469230244 /nfs/dbraw/zinc/23/02/44/469230244.db2.gz SRXPQNKKNKZMAT-CXAGYDPISA-N 1 0 347.415 2.334 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000596568191 469303218 /nfs/dbraw/zinc/30/32/18/469303218.db2.gz QGVHIODMBTVBRR-GFCCVEGCSA-N 1 0 328.800 2.190 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH+]ccn2c1 ZINC000610032041 469975682 /nfs/dbraw/zinc/97/56/82/469975682.db2.gz AMCZJZYVNSOPCP-UHFFFAOYSA-N 1 0 348.340 2.052 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000610292747 470001314 /nfs/dbraw/zinc/00/13/14/470001314.db2.gz AZUKZBCAMNNWBA-SNVBAGLBSA-N 1 0 331.294 2.438 10 5 EEBERO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC12CC(C1)C[NH2+]2 ZINC000662723460 472222487 /nfs/dbraw/zinc/22/24/87/472222487.db2.gz YJYFEEIIUPCHSK-UHFFFAOYSA-N 1 0 347.418 2.023 10 5 EEBERO CC[C@H](C)[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000295917245 517802456 /nfs/dbraw/zinc/80/24/56/517802456.db2.gz JOJUEYSZHNVKSI-ZDUSSCGKSA-N 1 0 344.419 2.311 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000180839991 527742499 /nfs/dbraw/zinc/74/24/99/527742499.db2.gz DUTNDGQDCSYTFB-JTQLQIEISA-N 1 0 343.330 2.268 10 5 EEBERO COC1CC[NH+](CCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000755470364 577825471 /nfs/dbraw/zinc/82/54/71/577825471.db2.gz IDZBWVDBUVECLL-BUHFOSPRSA-N 1 0 347.415 2.225 10 5 EEBERO CC(C)[C@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000755918193 577834286 /nfs/dbraw/zinc/83/42/86/577834286.db2.gz BGODZYNKXZTAKX-ZDUSSCGKSA-N 1 0 346.387 2.299 10 5 EEBERO C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1CC[NH3+] ZINC000723883784 676816764 /nfs/dbraw/zinc/81/67/64/676816764.db2.gz RAAZUYQUGDBQJL-RKDXNWHRSA-N 1 0 329.198 2.173 10 5 EEBERO COc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[C@@]4(O)C3)o2)c([N+](=O)[O-])c1 ZINC000895646208 684673798 /nfs/dbraw/zinc/67/37/98/684673798.db2.gz FFWPJUKFKIKLTA-PIGZYNQJSA-N 1 0 330.340 2.430 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927127035 693299217 /nfs/dbraw/zinc/29/92/17/693299217.db2.gz PWPAYGLNNHCTMZ-QMTHXVAHSA-N 1 0 336.417 2.434 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001266678471 1177178635 /nfs/dbraw/zinc/17/86/35/1177178635.db2.gz DJRGYQAFNIGAST-LQOBQMSGSA-N 1 0 346.412 2.435 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\c1ccc[nH]1 ZINC001267365905 1178854053 /nfs/dbraw/zinc/85/40/53/1178854053.db2.gz PZVQQKUTVCLTPG-TWGQIWQCSA-N 1 0 328.372 2.184 10 5 EEBERO CCc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001481305090 1180975970 /nfs/dbraw/zinc/97/59/70/1180975970.db2.gz QLRICECODYSVAQ-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO Cc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1 ZINC001481896149 1182904984 /nfs/dbraw/zinc/90/49/84/1182904984.db2.gz FYRZMQJHWACAAK-HZPDHXFCSA-N 1 0 331.416 2.179 10 5 EEBERO CCc1cccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)c1 ZINC001481896090 1182905890 /nfs/dbraw/zinc/90/58/90/1182905890.db2.gz DEVKHJRUWGKFIV-IAGOWNOFSA-N 1 0 345.443 2.433 10 5 EEBERO Cc1nscc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001269398628 1184238435 /nfs/dbraw/zinc/23/84/35/1184238435.db2.gz OEWNXXPBGXDBKH-UHFFFAOYSA-N 1 0 346.412 2.412 10 5 EEBERO CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001670984963 1193538634 /nfs/dbraw/zinc/53/86/34/1193538634.db2.gz KIDZZPSMGXYSJB-IAGOWNOFSA-N 1 0 337.464 2.401 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncc(F)c1 ZINC001483460384 1190485957 /nfs/dbraw/zinc/48/59/57/1190485957.db2.gz YVEGTUCYQDLKAA-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO COCC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC001483754564 1190970426 /nfs/dbraw/zinc/97/04/26/1190970426.db2.gz ZSRRLMJYTUYGGC-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031979 1198030854 /nfs/dbraw/zinc/03/08/54/1198030854.db2.gz OQUJEWCYJJIQLA-OLZOCXBDSA-N 1 0 325.384 2.495 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000810056214 1199228661 /nfs/dbraw/zinc/22/86/61/1199228661.db2.gz IMLNXMHWYPOCOQ-UHFFFAOYSA-N 1 0 349.840 2.009 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000870555356 1200741716 /nfs/dbraw/zinc/74/17/16/1200741716.db2.gz VGFDCBDEVFFNJK-AWEZNQCLSA-N 1 0 332.360 2.278 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@@H+]1C ZINC000928455127 1206386923 /nfs/dbraw/zinc/38/69/23/1206386923.db2.gz SOIFIRDUPWLTIM-PBHICJAKSA-N 1 0 349.434 2.364 10 5 EEBERO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930582891 1206568576 /nfs/dbraw/zinc/56/85/76/1206568576.db2.gz KUBWYHHHQZEPJM-KBPBESRZSA-N 1 0 327.425 2.375 10 5 EEBERO C[C@@H]1[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000903300101 1240205485 /nfs/dbraw/zinc/20/54/85/1240205485.db2.gz GESOGZBCLMTGFN-DAXOMENPSA-N 1 0 329.404 2.100 10 5 EEBERO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001138093134 1248485299 /nfs/dbraw/zinc/48/52/99/1248485299.db2.gz IPNDBHOKBOFHNW-NSHDSACASA-N 1 0 340.811 2.433 10 5 EEBERO O=C(CC1CCOCC1)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273918529 1289837481 /nfs/dbraw/zinc/83/74/81/1289837481.db2.gz HCLJGJOXJIJAIT-OWOJBTEDSA-N 1 0 347.415 2.174 10 5 EEBERO O=[N+]([O-])c1c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc2cnccc21 ZINC000858374500 1294099559 /nfs/dbraw/zinc/09/95/59/1294099559.db2.gz NWBZOAVPROFFLB-ZIAGYGMSSA-N 1 0 328.372 2.418 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)OCC12CCC[NH+](CCC1)C2 ZINC000861357198 1295369531 /nfs/dbraw/zinc/36/95/31/1295369531.db2.gz FPTHECFSPZOXBB-UHFFFAOYSA-N 1 0 334.372 2.393 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840139730 1315306373 /nfs/dbraw/zinc/30/63/73/1315306373.db2.gz AQVFYGXPEVFPGT-INIZCTEOSA-N 1 0 331.376 2.108 10 5 EEBERO CCN(OC)C(=O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000843430529 1315914287 /nfs/dbraw/zinc/91/42/87/1315914287.db2.gz LZJSCZLJZYOPKO-ZFWWWQNUSA-N 1 0 335.404 2.306 10 5 EEBERO CNc1nccc(C(=O)NCCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001149827733 1316058959 /nfs/dbraw/zinc/05/89/59/1316058959.db2.gz ZCMOPGGTJLXNAA-UHFFFAOYSA-N 1 0 349.435 2.272 10 5 EEBERO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC001293349236 1328681886 /nfs/dbraw/zinc/68/18/86/1328681886.db2.gz BLOURYMKESANRH-UHFFFAOYSA-N 1 0 332.360 2.140 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H]2CCCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001258067248 1319164787 /nfs/dbraw/zinc/16/47/87/1319164787.db2.gz OXBABKASLQAITQ-QWHCGFSZSA-N 1 0 336.392 2.370 10 5 EEBERO O=[N+]([O-])c1cccc2c1ccnc2N1CC([NH2+]C2CCOCC2)C1 ZINC001164131272 1321299149 /nfs/dbraw/zinc/29/91/49/1321299149.db2.gz OADBSOBYJGVGIK-UHFFFAOYSA-N 1 0 328.372 2.100 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnsn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266022176 1323573234 /nfs/dbraw/zinc/57/32/34/1323573234.db2.gz CZRBVEUXASBQJW-UHFFFAOYSA-N 1 0 349.416 2.088 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001290637098 1328241959 /nfs/dbraw/zinc/24/19/59/1328241959.db2.gz JKBILFFNNVAJKT-CQSZACIVSA-N 1 0 334.401 2.392 10 5 EEBERO COCC(C)(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001317115547 1332085479 /nfs/dbraw/zinc/08/54/79/1332085479.db2.gz GGCWYUFZVGHLPI-GASCZTMLSA-N 1 0 349.431 2.394 10 5 EEBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001318354828 1332515548 /nfs/dbraw/zinc/51/55/48/1332515548.db2.gz UPGUKZXCVGYFJP-ZDUSSCGKSA-N 1 0 328.372 2.386 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cnnc(C)c1 ZINC001320721389 1332940208 /nfs/dbraw/zinc/94/02/08/1332940208.db2.gz ALMNFUDKGDPIEJ-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO Cc1cnccc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001323437947 1333463973 /nfs/dbraw/zinc/46/39/73/1333463973.db2.gz NZQQSYATQNEPLX-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001345662592 1337455821 /nfs/dbraw/zinc/45/58/21/1337455821.db2.gz FFPZMEXVHGYARP-HNNXBMFYSA-N 1 0 334.372 2.313 10 5 EEBERO Cc1c(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001349760611 1337645269 /nfs/dbraw/zinc/64/52/69/1337645269.db2.gz QAKZYZHUSFKYKM-AWEZNQCLSA-N 1 0 334.372 2.313 10 5 EEBERO Cc1cccc(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC001349759855 1337645409 /nfs/dbraw/zinc/64/54/09/1337645409.db2.gz DMHVGNQJMWNUQK-CQSZACIVSA-N 1 0 334.372 2.313 10 5 EEBERO CCOC[C@H]1CC[N@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479977 1338705976 /nfs/dbraw/zinc/70/59/76/1338705976.db2.gz FENXTNSJOFETGR-YOEHRIQHSA-N 1 0 347.415 2.227 10 5 EEBERO C[N@H+](CC1CCOCC1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848483528 1338706404 /nfs/dbraw/zinc/70/64/04/1338706404.db2.gz JCMQXEMGIXVQRF-QGZVFWFLSA-N 1 0 347.415 2.227 10 5 EEBERO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001620613381 1352361080 /nfs/dbraw/zinc/36/10/80/1352361080.db2.gz DZLSQYSHQMGGSM-ZDUSSCGKSA-N 1 0 337.376 2.101 10 5 EEBERO CC(C)(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001666211722 1355485657 /nfs/dbraw/zinc/48/56/57/1355485657.db2.gz OWCSSJJXVPLBQS-HUUCEWRRSA-N 1 0 325.453 2.306 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001559995966 1342505689 /nfs/dbraw/zinc/50/56/89/1342505689.db2.gz HIALIHUVZHEANI-NFFDBFGFSA-N 1 0 333.388 2.015 10 5 EEBERO C[N@@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC001627990786 1352516851 /nfs/dbraw/zinc/51/68/51/1352516851.db2.gz OXTYNHPFTDMEMY-UHFFFAOYSA-N 1 0 346.431 2.484 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccnn1C ZINC001644227622 1352759891 /nfs/dbraw/zinc/75/98/91/1352759891.db2.gz FUVUKPAAXKBYLB-GFCCVEGCSA-N 1 0 331.376 2.316 10 5 EEBERO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](CO)C(C)(C)C ZINC001644971307 1352772401 /nfs/dbraw/zinc/77/24/01/1352772401.db2.gz UILDUQZDXQXVRU-ZDUSSCGKSA-N 1 0 334.376 2.484 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](C)[N@H+](C)C3CC3)c2c1 ZINC001651482414 1354054270 /nfs/dbraw/zinc/05/42/70/1354054270.db2.gz IONGAKRZRXJHCH-NSHDSACASA-N 1 0 330.388 2.468 10 5 EEBERO Cc1ccc(C[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cc1C ZINC001663722548 1355022176 /nfs/dbraw/zinc/02/21/76/1355022176.db2.gz MUGBOZYUQBCLEF-IAGOWNOFSA-N 1 0 331.416 2.049 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc[nH]c1C ZINC001668396879 1355933770 /nfs/dbraw/zinc/93/37/70/1355933770.db2.gz FAXFMVQWYBXHGI-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO CC1(C(=O)N(CCO)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001672654501 1356562762 /nfs/dbraw/zinc/56/27/62/1356562762.db2.gz POSLNOSIPYTYDQ-UHFFFAOYSA-N 1 0 349.431 2.086 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588445339 759970210 /nfs/dbraw/zinc/97/02/10/759970210.db2.gz MNMIIPUHGZMFTI-BHEFUSTPSA-N 1 0 347.415 2.225 10 5 EEBERO [NH3+]CCN(Cc1cn2cccc(F)c2n1)c1ccc([N+](=O)[O-])cc1 ZINC000809734908 783319005 /nfs/dbraw/zinc/31/90/05/783319005.db2.gz NWOBKSHLNZMNDI-UHFFFAOYSA-N 1 0 329.335 2.347 10 5 EEBERO O=C(NCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000818990004 785354884 /nfs/dbraw/zinc/35/48/84/785354884.db2.gz SLUYMOUNMQQAFW-QGZVFWFLSA-N 1 0 343.383 2.038 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001136669055 787557862 /nfs/dbraw/zinc/55/78/62/787557862.db2.gz NQWJHTIORLEJMH-UKRRQHHQSA-N 1 0 335.404 2.210 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)CCOc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913291380 788767438 /nfs/dbraw/zinc/76/74/38/788767438.db2.gz WXFGMQBISDUZBP-HDICACEKSA-N 1 0 347.415 2.164 10 5 EEBERO CC[N@H+](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000913384763 788832520 /nfs/dbraw/zinc/83/25/20/788832520.db2.gz FGXVPWKXURUBEJ-UHFFFAOYSA-N 1 0 329.759 2.488 10 5 EEBERO [NH3+]C[C@@H]1CCc2ccccc2N1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923392804 789506950 /nfs/dbraw/zinc/50/69/50/789506950.db2.gz VLEJEESDDLKINO-WMZOPIPTSA-N 1 0 327.384 2.408 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536751 789738879 /nfs/dbraw/zinc/73/88/79/789738879.db2.gz PCKCAILXYYHUCO-QGZVFWFLSA-N 1 0 332.404 2.060 10 5 EEBERO CC(C)[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000913761420 794243605 /nfs/dbraw/zinc/24/36/05/794243605.db2.gz LKWYGMRFHIGTFZ-CYBMUJFWSA-N 1 0 340.811 2.243 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000817992719 801041177 /nfs/dbraw/zinc/04/11/77/801041177.db2.gz NUKOKORHJPUUSH-RCOVLWMOSA-N 1 0 346.156 2.058 10 5 EEBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182455293 801188618 /nfs/dbraw/zinc/18/86/18/801188618.db2.gz UUQIAMCTGBJPHC-HNNXBMFYSA-N 1 0 340.383 2.175 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3c[nH+]cn3c2)c1 ZINC001129670646 810945163 /nfs/dbraw/zinc/94/51/63/810945163.db2.gz ZVZGNZUXSZEXRV-UHFFFAOYSA-N 1 0 326.312 2.181 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000808057751 812429349 /nfs/dbraw/zinc/42/93/49/812429349.db2.gz CZEMZFNJWITULC-LLVKDONJSA-N 1 0 326.353 2.008 10 5 EEBERO CCc1ncsc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001493570813 1108336016 /nfs/dbraw/zinc/33/60/16/1108336016.db2.gz DNSFGOFXPBIWEG-UHFFFAOYSA-N 1 0 348.428 2.476 10 5 EEBERO CCc1cccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001493578270 1108347544 /nfs/dbraw/zinc/34/75/44/1108347544.db2.gz HMLYGTHNLSULAQ-UHFFFAOYSA-N 1 0 342.399 2.414 10 5 EEBERO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCOC1 ZINC001460791027 1110324171 /nfs/dbraw/zinc/32/41/71/1110324171.db2.gz SAWHRFJMLYNKDB-NHYWBVRUSA-N 1 0 334.376 2.002 10 5 EEBERO CC1(C)CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])CC[NH2+]1 ZINC001472883215 1110565039 /nfs/dbraw/zinc/56/50/39/1110565039.db2.gz KAZDPRPOFKIIHD-UHFFFAOYSA-N 1 0 331.332 2.239 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C1 ZINC001472906034 1110565737 /nfs/dbraw/zinc/56/57/37/1110565737.db2.gz UQXFITWILVNTCQ-AWEZNQCLSA-N 1 0 332.404 2.017 10 5 EEBERO Cc1c(CC(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001526620409 1120554494 /nfs/dbraw/zinc/55/44/94/1120554494.db2.gz LAPPXTMGZZBFFH-INIZCTEOSA-N 1 0 348.399 2.242 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001543699604 1124133286 /nfs/dbraw/zinc/13/32/86/1124133286.db2.gz RPUIISOXIZMJBE-CZUORRHYSA-N 1 0 334.420 2.243 10 5 EEBERO CN(C)C(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055899090 214346966 /nfs/dbraw/zinc/34/69/66/214346966.db2.gz HFTXZIPJNRWSJU-UHFFFAOYSA-N 1 0 335.404 2.164 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000174255180 529405808 /nfs/dbraw/zinc/40/58/08/529405808.db2.gz CLLKJPWGALGWHH-NVXWUHKLSA-N 1 0 346.431 2.406 10 5 EEBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C[N@@H+]1CCO ZINC000418994880 239393560 /nfs/dbraw/zinc/39/35/60/239393560.db2.gz CCLWBFSAFOMOIE-MNOVXSKESA-N 1 0 345.346 2.088 10 5 EEBERO COc1cc(C[NH+]2CCC(Cn3cncn3)CC2)ccc1[N+](=O)[O-] ZINC000426779192 241338586 /nfs/dbraw/zinc/33/85/86/241338586.db2.gz FFJCLXRZFVCRRN-UHFFFAOYSA-N 1 0 331.376 2.107 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451919742 243316491 /nfs/dbraw/zinc/31/64/91/243316491.db2.gz ZYVLJSYFDVMIOH-ZWNOBZJWSA-N 1 0 334.294 2.219 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(=O)NC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266222699 248185298 /nfs/dbraw/zinc/18/52/98/248185298.db2.gz IBIJZUFLAWIVQL-GXTWGEPZSA-N 1 0 334.420 2.121 10 5 EEBERO CCNC(=O)N1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000090410208 217927718 /nfs/dbraw/zinc/92/77/18/217927718.db2.gz YKOBPIPHTHEEBD-JKSUJKDBSA-N 1 0 346.431 2.309 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)n1 ZINC000191700549 152268734 /nfs/dbraw/zinc/26/87/34/152268734.db2.gz ZFTZWVKBXBJXKS-CYBMUJFWSA-N 1 0 345.403 2.062 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000352265757 153030325 /nfs/dbraw/zinc/03/03/25/153030325.db2.gz MZFHCJGNHYARSZ-CYBMUJFWSA-N 1 0 343.449 2.225 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361209292 153456304 /nfs/dbraw/zinc/45/63/04/153456304.db2.gz DXIJBANEDDVWKG-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107523412 159332624 /nfs/dbraw/zinc/33/26/24/159332624.db2.gz OOBHQTSGSPMVDY-CQSZACIVSA-N 1 0 332.404 2.389 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000246916349 160300971 /nfs/dbraw/zinc/30/09/71/160300971.db2.gz ISBLTMBQNZZLBJ-KGLIPLIRSA-N 1 0 332.404 2.092 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341974959 161028710 /nfs/dbraw/zinc/02/87/10/161028710.db2.gz IBGBXBNQIREMIF-GUYCJALGSA-N 1 0 333.388 2.424 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000343378899 161130024 /nfs/dbraw/zinc/13/00/24/161130024.db2.gz VYAZKCRPNCVTJB-PBWFPOADSA-N 1 0 333.388 2.443 10 5 EEBERO C[NH+](C)Cc1cccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000349699862 161603374 /nfs/dbraw/zinc/60/33/74/161603374.db2.gz BVNYJQWSCVNULV-UHFFFAOYSA-N 1 0 340.383 2.250 10 5 EEBERO CCOc1cc(N2CC[NH+](CC3(O)CCC3)CC2)ccc1[N+](=O)[O-] ZINC000360725571 164369870 /nfs/dbraw/zinc/36/98/70/164369870.db2.gz LRDOPCOBBQJYMR-UHFFFAOYSA-N 1 0 335.404 2.031 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000365419850 165479873 /nfs/dbraw/zinc/47/98/73/165479873.db2.gz GCSMZCSRNIGYGH-UHFFFAOYSA-N 1 0 333.388 2.107 10 5 EEBERO C[NH+](C)CCOc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000194197415 274068209 /nfs/dbraw/zinc/06/82/09/274068209.db2.gz AIVCAHFYCHRHOX-UHFFFAOYSA-N 1 0 343.383 2.465 10 5 EEBERO C[C@@H](CC[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000069780010 278231237 /nfs/dbraw/zinc/23/12/37/278231237.db2.gz CSFDPYFLCJVWSO-ZDUSSCGKSA-N 1 0 334.420 2.265 10 5 EEBERO CCOC(=O)c1ccnc(N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000077929907 279637210 /nfs/dbraw/zinc/63/72/10/279637210.db2.gz KLQMQSWDSZBGAM-UHFFFAOYSA-N 1 0 348.403 2.231 10 5 EEBERO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C[NH+]1CCCC1 ZINC000301146423 294827954 /nfs/dbraw/zinc/82/79/54/294827954.db2.gz JUJWVEPROIPNTK-LLVKDONJSA-N 1 0 334.376 2.070 10 5 EEBERO CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415701346 313169250 /nfs/dbraw/zinc/16/92/50/313169250.db2.gz NZCVRZQIXUQTFU-NSHDSACASA-N 1 0 345.197 2.462 10 5 EEBERO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421370559 314093479 /nfs/dbraw/zinc/09/34/79/314093479.db2.gz BVVBFOSILRJDDT-CYBMUJFWSA-N 1 0 329.356 2.423 10 5 EEBERO CCOC(=O)CC1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCC1 ZINC000434618238 314850448 /nfs/dbraw/zinc/85/04/48/314850448.db2.gz NXEMEMHPXYFSBM-UHFFFAOYSA-N 1 0 349.387 2.049 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(NC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000525107149 317039357 /nfs/dbraw/zinc/03/93/57/317039357.db2.gz NKQQFOLJERGNLW-DOMZBBRYSA-N 1 0 334.420 2.439 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000572323893 319835132 /nfs/dbraw/zinc/83/51/32/319835132.db2.gz UKSMDUSQXDKGNY-GFCCVEGCSA-N 1 0 345.186 2.249 10 5 EEBERO O=[N+]([O-])c1cncc(Br)c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577728225 320272351 /nfs/dbraw/zinc/27/23/51/320272351.db2.gz OVFFRSGYDJUIRT-ZDUSSCGKSA-N 1 0 341.209 2.332 10 5 EEBERO C[NH+](C)CC(C)(C)NC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580164076 324004860 /nfs/dbraw/zinc/00/48/60/324004860.db2.gz ALOFMCPAUWQYHV-UHFFFAOYSA-N 1 0 347.419 2.258 10 5 EEBERO CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347889106 465288317 /nfs/dbraw/zinc/28/83/17/465288317.db2.gz JJQQTYYCSDBJSV-CYBMUJFWSA-N 1 0 328.372 2.385 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327432 462874675 /nfs/dbraw/zinc/87/46/75/462874675.db2.gz LWYZWVUXKUTKBI-LLVKDONJSA-N 1 0 347.462 2.199 10 5 EEBERO [NH3+][C@@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C1 ZINC000050244262 462993709 /nfs/dbraw/zinc/99/37/09/462993709.db2.gz YSCZLPXUGVOVLK-SECBINFHSA-N 1 0 337.177 2.443 10 5 EEBERO C[C@@H](CO)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000120595733 463015900 /nfs/dbraw/zinc/01/59/00/463015900.db2.gz FVBDVPAHGJHAHH-LLVKDONJSA-N 1 0 347.337 2.364 10 5 EEBERO COC[C@@](C)([NH3+])CNc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072284408 463497167 /nfs/dbraw/zinc/49/71/67/463497167.db2.gz ZYWJMGHRMSGDPF-INIZCTEOSA-N 1 0 331.376 2.136 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000177712164 463771995 /nfs/dbraw/zinc/77/19/95/463771995.db2.gz LYDGNGSOPZXRPA-HNNXBMFYSA-N 1 0 334.420 2.258 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269332196 463954977 /nfs/dbraw/zinc/95/49/77/463954977.db2.gz APHUQIWAURWLCM-UHFFFAOYSA-N 1 0 337.424 2.293 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000287759846 463990971 /nfs/dbraw/zinc/99/09/71/463990971.db2.gz NCZJSUCULJMFIW-GFCCVEGCSA-N 1 0 336.392 2.005 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175052301 464486147 /nfs/dbraw/zinc/48/61/47/464486147.db2.gz PGRTUXBWXCZXAG-GDBMZVCRSA-N 1 0 346.431 2.400 10 5 EEBERO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246631235 464607176 /nfs/dbraw/zinc/60/71/76/464607176.db2.gz BEASUQXTYNHXBQ-XHDPSFHLSA-N 1 0 338.795 2.499 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)n1 ZINC000176286016 464740525 /nfs/dbraw/zinc/74/05/25/464740525.db2.gz JPGNGFXZTVIRJQ-HZPDHXFCSA-N 1 0 330.388 2.379 10 5 EEBERO CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348180208 465474617 /nfs/dbraw/zinc/47/46/17/465474617.db2.gz KUSYSJUCWQOFGU-HNNXBMFYSA-N 1 0 343.387 2.313 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356646 465519799 /nfs/dbraw/zinc/51/97/99/465519799.db2.gz MXRGHUGSKNXQPW-AWEZNQCLSA-N 1 0 330.388 2.666 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362522873 465803241 /nfs/dbraw/zinc/80/32/41/465803241.db2.gz YMHBOQIMBSQVBH-LLVKDONJSA-N 1 0 341.358 2.406 10 5 EEBERO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000591370621 468461172 /nfs/dbraw/zinc/46/11/72/468461172.db2.gz LRPIGIIEBKZUQZ-OLZOCXBDSA-N 1 0 330.388 2.034 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301474435 465969431 /nfs/dbraw/zinc/96/94/31/465969431.db2.gz RPNAMHFUWFSXMX-ZDUSSCGKSA-N 1 0 330.388 2.036 10 5 EEBERO C[C@H]1CCC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301693474 466010299 /nfs/dbraw/zinc/01/02/99/466010299.db2.gz OPFKUWCWJWLCKN-NSHDSACASA-N 1 0 334.376 2.070 10 5 EEBERO CO[C@@]1(CO)CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597186023 468474970 /nfs/dbraw/zinc/47/49/70/468474970.db2.gz ARQJFISJYDYUCD-HNNXBMFYSA-N 1 0 346.330 2.170 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000347350056 466585638 /nfs/dbraw/zinc/58/56/38/466585638.db2.gz QRLXFVNJVSOYHX-AEFFLSMTSA-N 1 0 343.383 2.470 10 5 EEBERO CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC12COC2 ZINC000451137558 467248637 /nfs/dbraw/zinc/24/86/37/467248637.db2.gz PIGWBILETZXKLR-TZMCWYRMSA-N 1 0 334.372 2.167 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000451589828 467262326 /nfs/dbraw/zinc/26/23/26/467262326.db2.gz WPRSMMFYIPUQGK-GLQYFDAESA-N 1 0 349.387 2.243 10 5 EEBERO CCOC(=O)[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC12COC2 ZINC000449359183 467633291 /nfs/dbraw/zinc/63/32/91/467633291.db2.gz GKSUXWSXOZBPSS-ZKKXHLJNSA-N 1 0 346.383 2.120 10 5 EEBERO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589511591 468157633 /nfs/dbraw/zinc/15/76/33/468157633.db2.gz WSEZDCUWPPTTDW-WDEREUQCSA-N 1 0 338.360 2.059 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000590010372 468205543 /nfs/dbraw/zinc/20/55/43/468205543.db2.gz GNWSGKWRAPZWCH-BBRMVZONSA-N 1 0 328.372 2.386 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCC2CCOCC2)c1 ZINC000519822349 468216922 /nfs/dbraw/zinc/21/69/22/468216922.db2.gz QNGGXHJVFVPPCI-MRXNPFEDSA-N 1 0 338.404 2.131 10 5 EEBERO C[NH+](C)CCN1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000591894007 468553130 /nfs/dbraw/zinc/55/31/30/468553130.db2.gz ALTCMGKTTIGYSA-UHFFFAOYSA-N 1 0 347.463 2.307 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1c3ccccc3ncc1[N+](=O)[O-])CCO2 ZINC000591992148 468592367 /nfs/dbraw/zinc/59/23/67/468592367.db2.gz PERHATVOMQKYSY-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594524861 468616307 /nfs/dbraw/zinc/61/63/07/468616307.db2.gz MFPQEUUBFZGJGI-KCJUWKMLSA-N 1 0 334.298 2.153 10 5 EEBERO COC(=O)c1ccc(-c2cnn(C3CC[NH2+]CC3)c2)c([N+](=O)[O-])c1 ZINC000600784013 468657689 /nfs/dbraw/zinc/65/76/89/468657689.db2.gz ITYLVJSOZUBIMI-UHFFFAOYSA-N 1 0 330.344 2.169 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476522 468706838 /nfs/dbraw/zinc/70/68/38/468706838.db2.gz XKYLTWSXTSVNLO-CPUCHLNUSA-N 1 0 346.431 2.386 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601006265 468716098 /nfs/dbraw/zinc/71/60/98/468716098.db2.gz SZQJVFSYMZZHJN-CQSZACIVSA-N 1 0 331.416 2.475 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595092715 468757046 /nfs/dbraw/zinc/75/70/46/468757046.db2.gz ZPFUWRPYVUNLBY-KCPJHIHWSA-N 1 0 333.388 2.205 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595267050 468797499 /nfs/dbraw/zinc/79/74/99/468797499.db2.gz CVHSGVSQVRXGSF-NVXWUHKLSA-N 1 0 340.383 2.174 10 5 EEBERO C[C@H]1CC[N@H+](CCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC000601266318 468805326 /nfs/dbraw/zinc/80/53/26/468805326.db2.gz NJOOHBDDRLQPFD-AWEZNQCLSA-N 1 0 331.416 2.475 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333492 468829849 /nfs/dbraw/zinc/82/98/49/468829849.db2.gz DVXOXDVHXVAQFC-WMLDXEAASA-N 1 0 346.431 2.306 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595382519 468833612 /nfs/dbraw/zinc/83/36/12/468833612.db2.gz ULMLPSWILSMFBI-UHFFFAOYSA-N 1 0 343.449 2.302 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473050 468866588 /nfs/dbraw/zinc/86/65/88/468866588.db2.gz SWFJVYZLTSZAEY-MRXNPFEDSA-N 1 0 349.431 2.290 10 5 EEBERO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000595778764 469004935 /nfs/dbraw/zinc/00/49/35/469004935.db2.gz UZGMAGSNTKSZJZ-LSDHHAIUSA-N 1 0 349.431 2.472 10 5 EEBERO CC(C)(C)O[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C12CCC2 ZINC000595778762 469005106 /nfs/dbraw/zinc/00/51/06/469005106.db2.gz UZGMAGSNTKSZJZ-GJZGRUSLSA-N 1 0 349.431 2.472 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1(CO)CCC1 ZINC000593692183 469098453 /nfs/dbraw/zinc/09/84/53/469098453.db2.gz RPLXNOHPUOJGGY-ZDUSSCGKSA-N 1 0 335.404 2.454 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000593728657 469110911 /nfs/dbraw/zinc/11/09/11/469110911.db2.gz BIIAQXCNUAOSIV-KBRIMQKVSA-N 1 0 335.404 2.161 10 5 EEBERO COc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596104827 469156454 /nfs/dbraw/zinc/15/64/54/469156454.db2.gz NSLLXQSARTVZMZ-NSHDSACASA-N 1 0 342.827 2.305 10 5 EEBERO COC(=O)c1c(Cl)c(NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000596112284 469160174 /nfs/dbraw/zinc/16/01/74/469160174.db2.gz MFTWPZDLSIMUID-VIFPVBQESA-N 1 0 327.768 2.398 10 5 EEBERO Cn1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000602920694 469164985 /nfs/dbraw/zinc/16/49/85/469164985.db2.gz ZAEYDWHWNPKAOP-KGLIPLIRSA-N 1 0 338.314 2.226 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599604336 469306746 /nfs/dbraw/zinc/30/67/46/469306746.db2.gz NBMMXIKNXCTZEA-CALCHBBNSA-N 1 0 348.403 2.457 10 5 EEBERO C[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1F ZINC000612469346 469475509 /nfs/dbraw/zinc/47/55/09/469475509.db2.gz RUFQXTQECXAVJQ-NSHDSACASA-N 1 0 349.366 2.234 10 5 EEBERO COc1cccc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000619451629 469611022 /nfs/dbraw/zinc/61/10/22/469611022.db2.gz GVGUNLAEDAYSJV-UHFFFAOYSA-N 1 0 333.388 2.350 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000597206764 485615830 /nfs/dbraw/zinc/61/58/30/485615830.db2.gz VMNGWJRSYGUSQW-QGZVFWFLSA-N 1 0 336.388 2.349 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000732034981 577142913 /nfs/dbraw/zinc/14/29/13/577142913.db2.gz IMGHSHRLEWHDHS-CYBMUJFWSA-N 1 0 348.359 2.120 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000771258577 577612677 /nfs/dbraw/zinc/61/26/77/577612677.db2.gz WYYYRVOLJHCQLR-OLZOCXBDSA-N 1 0 329.397 2.224 10 5 EEBERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000762084865 577694735 /nfs/dbraw/zinc/69/47/35/577694735.db2.gz BAQOZGKHNKRVBA-HNNXBMFYSA-N 1 0 327.340 2.421 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000757863071 577865818 /nfs/dbraw/zinc/86/58/18/577865818.db2.gz NESLAZKETHRQEL-WMZOPIPTSA-N 1 0 330.384 2.477 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176251220 677822193 /nfs/dbraw/zinc/82/21/93/677822193.db2.gz VHYISBLKXKTRCQ-NSHDSACASA-N 1 0 341.795 2.089 10 5 EEBERO CN(c1ccc(Br)cc1[N+](=O)[O-])C1(C[NH3+])CCOCC1 ZINC000725018598 679401817 /nfs/dbraw/zinc/40/18/17/679401817.db2.gz PJAWJFPPKVBWKZ-UHFFFAOYSA-N 1 0 344.209 2.301 10 5 EEBERO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521663 685011980 /nfs/dbraw/zinc/01/19/80/685011980.db2.gz DXZZNOKDWIXXSQ-HNNXBMFYSA-N 1 0 333.388 2.463 10 5 EEBERO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)C1(CCF)CC1 ZINC001266902939 1177764982 /nfs/dbraw/zinc/76/49/82/1177764982.db2.gz NUMXKFGWMAFWRK-ZSHCYNCHSA-N 1 0 347.390 2.281 10 5 EEBERO CCC[N@H+](CCNC(=O)c1ncccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001267318429 1178747516 /nfs/dbraw/zinc/74/75/16/1178747516.db2.gz KJXRZXLBNOOZLG-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001268504411 1183079324 /nfs/dbraw/zinc/07/93/24/1183079324.db2.gz CADHPSZIGHSTEP-UPHRSURJSA-N 1 0 326.356 2.066 10 5 EEBERO O=C(Cc1cncs1)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001268551905 1183238730 /nfs/dbraw/zinc/23/87/30/1183238730.db2.gz LGHUONAPRZKLNH-ONEGZZNKSA-N 1 0 346.412 2.056 10 5 EEBERO CCOCCC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001270213246 1184925636 /nfs/dbraw/zinc/92/56/36/1184925636.db2.gz SSRPRKWOAGVLPH-UHFFFAOYSA-N 1 0 349.431 2.492 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC001483077814 1188435310 /nfs/dbraw/zinc/43/53/10/1188435310.db2.gz MKNDYVCRNYNJLQ-UPHRSURJSA-N 1 0 332.385 2.127 10 5 EEBERO Cn1cc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2cccnc21 ZINC000872233914 1198103064 /nfs/dbraw/zinc/10/30/64/1198103064.db2.gz IOXZBZNUCZJUKM-KRWDZBQOSA-N 1 0 340.383 2.347 10 5 EEBERO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000865740109 1198353673 /nfs/dbraw/zinc/35/36/73/1198353673.db2.gz BLDVYCFSDDBSBO-UGSOOPFHSA-N 1 0 345.399 2.194 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)Oc1cc(C)c([N+](=O)[O-])cc1F ZINC000810065330 1199254884 /nfs/dbraw/zinc/25/48/84/1199254884.db2.gz RHXINJJZRYNQKO-UHFFFAOYSA-N 1 0 334.369 2.093 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[C@@H]21 ZINC000866204621 1201464079 /nfs/dbraw/zinc/46/40/79/1201464079.db2.gz FEFKEGWONFIQBO-JSGCOSHPSA-N 1 0 330.388 2.010 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000882234331 1201837027 /nfs/dbraw/zinc/83/70/27/1201837027.db2.gz YOTGIHZNWBBRMR-LBPRGKRZSA-N 1 0 335.404 2.079 10 5 EEBERO CCn1nccc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001275968269 1205607678 /nfs/dbraw/zinc/60/76/78/1205607678.db2.gz PZRHWUGXTKURGR-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)nn1 ZINC000929986035 1206525615 /nfs/dbraw/zinc/52/56/15/1206525615.db2.gz DYNPUYWPJWBTCL-CQSZACIVSA-N 1 0 328.376 2.083 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931650862 1207433052 /nfs/dbraw/zinc/43/30/52/1207433052.db2.gz CYIZWWDQJCNKDP-HNNXBMFYSA-N 1 0 335.379 2.363 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000827699828 1248654695 /nfs/dbraw/zinc/65/46/95/1248654695.db2.gz MPSCPQGFPMQXHW-CQSZACIVSA-N 1 0 339.823 2.279 10 5 EEBERO Cc1cc(Cl)c(S(=O)(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000850593544 1277276620 /nfs/dbraw/zinc/27/66/20/1277276620.db2.gz VQFGWDOMAUGANX-LLVKDONJSA-N 1 0 349.840 2.208 10 5 EEBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000852561796 1292135022 /nfs/dbraw/zinc/13/50/22/1292135022.db2.gz UZYPQJQYJQGPGN-QGTPRVQTSA-N 1 0 344.415 2.363 10 5 EEBERO NC(=O)CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000853127031 1292291190 /nfs/dbraw/zinc/29/11/90/1292291190.db2.gz NOGDZOUOCZBSMA-HNNXBMFYSA-N 1 0 335.404 2.044 10 5 EEBERO CC[C@@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000857764881 1293910848 /nfs/dbraw/zinc/91/08/48/1293910848.db2.gz CSLPKZPVOHROLN-MFKMUULPSA-N 1 0 343.330 2.152 10 5 EEBERO O=[N+]([O-])c1cc2ccccc2c(-c2nc(N3CC[NH2+]CC3)no2)c1 ZINC000863676991 1296382855 /nfs/dbraw/zinc/38/28/55/1296382855.db2.gz LJTUZAWJZIJQSE-UHFFFAOYSA-N 1 0 325.328 2.208 10 5 EEBERO Cc1n[nH]c(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001119633198 1309143342 /nfs/dbraw/zinc/14/33/42/1309143342.db2.gz IZSLYIKSWZHRLP-UHFFFAOYSA-N 1 0 337.424 2.066 10 5 EEBERO CC/C(C)=C\C(=O)NC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC001318632225 1332570723 /nfs/dbraw/zinc/57/07/23/1332570723.db2.gz KNARSHULSPIFRM-LCYFTJDESA-N 1 0 349.435 2.203 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)CC1 ZINC001329579355 1334678522 /nfs/dbraw/zinc/67/85/22/1334678522.db2.gz UVWGGRCHXIDTCS-UHFFFAOYSA-N 1 0 332.404 2.125 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001334249591 1336227995 /nfs/dbraw/zinc/22/79/95/1336227995.db2.gz BJTSDHNQJYYIMD-IAGOWNOFSA-N 1 0 332.404 2.050 10 5 EEBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001611577616 1352302813 /nfs/dbraw/zinc/30/28/13/1352302813.db2.gz KRGVBGWXGNJYIY-BZNIZROVSA-N 1 0 335.429 2.340 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccccc1 ZINC001618683212 1352352179 /nfs/dbraw/zinc/35/21/79/1352352179.db2.gz NARQSJWDNYJCHC-MRXNPFEDSA-N 1 0 328.372 2.210 10 5 EEBERO Cc1cncc(CC(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001567295884 1342734595 /nfs/dbraw/zinc/73/45/95/1342734595.db2.gz XNYIOWNFNZPTKU-UHFFFAOYSA-N 1 0 342.399 2.089 10 5 EEBERO Cc1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001594215508 1349875075 /nfs/dbraw/zinc/87/50/75/1349875075.db2.gz WNGOYYOFYKXYTE-ZIAGYGMSSA-N 1 0 348.359 2.120 10 5 EEBERO C[C@H]1C[C@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001622828136 1352389301 /nfs/dbraw/zinc/38/93/01/1352389301.db2.gz ZFMQXUIVROULOL-WPRPVWTQSA-N 1 0 338.795 2.185 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001625506659 1352450520 /nfs/dbraw/zinc/45/05/20/1352450520.db2.gz IXXSLZFDHIJITJ-SCRDCRAPSA-N 1 0 334.420 2.394 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001626738741 1352471795 /nfs/dbraw/zinc/47/17/95/1352471795.db2.gz XVFLYDXIEYKMOG-CYBMUJFWSA-N 1 0 337.807 2.487 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001648194761 1353420129 /nfs/dbraw/zinc/42/01/29/1353420129.db2.gz UPAHXVOGGOSGFS-GUYCJALGSA-N 1 0 334.372 2.249 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001654030145 1354138343 /nfs/dbraw/zinc/13/83/43/1354138343.db2.gz GHRQWRDKYKQHBX-ZDUSSCGKSA-N 1 0 325.796 2.343 10 5 EEBERO O=[N+]([O-])c1cc2ccccc2nc1N1CC([NH2+]C2CCOCC2)C1 ZINC001655850917 1354186981 /nfs/dbraw/zinc/18/69/81/1354186981.db2.gz RBNPPEATGWSANU-UHFFFAOYSA-N 1 0 328.372 2.100 10 5 EEBERO CC[C@@H](C)[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001659046946 1354372584 /nfs/dbraw/zinc/37/25/84/1354372584.db2.gz PRBASOMXBSSINB-CHWSQXEVSA-N 1 0 343.449 2.240 10 5 EEBERO CN(CC[NH2+]Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001663924337 1355054349 /nfs/dbraw/zinc/05/43/49/1355054349.db2.gz VWNKUQXQBZZSKT-ZYHUDNBSSA-N 1 0 346.214 2.207 10 5 EEBERO Cc1c(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001669027284 1356070438 /nfs/dbraw/zinc/07/04/38/1356070438.db2.gz OVUWTDJZXHFTDG-ARJAWSKDSA-N 1 0 342.399 2.318 10 5 EEBERO CCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000912397630 788158348 /nfs/dbraw/zinc/15/83/48/788158348.db2.gz CJMQCOWHFSKBJV-LLVKDONJSA-N 1 0 340.811 2.387 10 5 EEBERO CNc1nccc(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000912650177 788282175 /nfs/dbraw/zinc/28/21/75/788282175.db2.gz JCCGDPAKRAMHNL-STQMWFEESA-N 1 0 349.435 2.366 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912924075 788499248 /nfs/dbraw/zinc/49/92/48/788499248.db2.gz QCXGGDVPIVHCRT-INIZCTEOSA-N 1 0 332.404 2.094 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)Cc3cccc(F)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913273306 788747964 /nfs/dbraw/zinc/74/79/64/788747964.db2.gz DHUMEIPGYAJLLV-IAGOWNOFSA-N 1 0 335.379 2.077 10 5 EEBERO C[N@@H+]1C[C@@]2(C)CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913291011 788767389 /nfs/dbraw/zinc/76/73/89/788767389.db2.gz MMJVMSHJHFWVTM-HDICACEKSA-N 1 0 346.431 2.197 10 5 EEBERO C[C@H]1[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000921839166 796901875 /nfs/dbraw/zinc/90/18/75/796901875.db2.gz XVKFMHYODWLPHK-GXFFZTMASA-N 1 0 340.811 2.183 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(CC(N)=O)CCCCC1 ZINC001176837211 798595587 /nfs/dbraw/zinc/59/55/87/798595587.db2.gz GGKXYCALBPCSTG-UHFFFAOYSA-N 1 0 348.403 2.010 10 5 EEBERO CC[N@@H+]1CC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000922167175 799612192 /nfs/dbraw/zinc/61/21/92/799612192.db2.gz WVMNWAJJUBIKEK-ZDUSSCGKSA-N 1 0 325.796 2.391 10 5 EEBERO CCc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1 ZINC001495915888 1101759180 /nfs/dbraw/zinc/75/91/80/1101759180.db2.gz APPSYFZZYFOZMO-IAGOWNOFSA-N 1 0 345.443 2.433 10 5 EEBERO CC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001500424743 1112821214 /nfs/dbraw/zinc/82/12/14/1112821214.db2.gz QAEKXOVTKYGCQO-HZPDHXFCSA-N 1 0 349.475 2.450 10 5 EEBERO COCC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001506890099 1114952823 /nfs/dbraw/zinc/95/28/23/1114952823.db2.gz CGGXDHUCZQBDFO-CTYIDZIISA-N 1 0 347.415 2.006 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001516654710 1119011948 /nfs/dbraw/zinc/01/19/48/1119011948.db2.gz GBIQLUBGWIQILR-INIZCTEOSA-N 1 0 346.387 2.337 10 5 EEBERO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001543664249 1124132828 /nfs/dbraw/zinc/13/28/28/1124132828.db2.gz LTHOSCYMBOUFBL-BBBLOLIVSA-N 1 0 343.815 2.068 10 5 EEBERO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)CC(C)C ZINC000036832131 213121497 /nfs/dbraw/zinc/12/14/97/213121497.db2.gz JUZYZQWEZOEKAE-GFCCVEGCSA-N 1 0 337.424 2.257 10 5 EEBERO COc1ccc(C)cc1C[NH2+][C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000072314817 216149133 /nfs/dbraw/zinc/14/91/33/216149133.db2.gz ZDAZKZXADZJAAG-AEFFLSMTSA-N 1 0 346.383 2.096 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000265025444 247143304 /nfs/dbraw/zinc/14/33/04/247143304.db2.gz YZOMCVMPVCDLEZ-XJKSGUPXSA-N 1 0 342.399 2.245 10 5 EEBERO Cc1ccc(O)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000092047824 218110284 /nfs/dbraw/zinc/11/02/84/218110284.db2.gz WERHKDJGWFLAMV-UHFFFAOYSA-N 1 0 328.372 2.326 10 5 EEBERO CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000117792397 221089299 /nfs/dbraw/zinc/08/92/99/221089299.db2.gz GTYOATUQPYBNOY-GFCCVEGCSA-N 1 0 325.796 2.391 10 5 EEBERO CC[NH+](CC)Cc1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000270775210 256170419 /nfs/dbraw/zinc/17/04/19/256170419.db2.gz RKBIQUAZSWCAJM-UHFFFAOYSA-N 1 0 331.376 2.422 10 5 EEBERO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262470401 152283287 /nfs/dbraw/zinc/28/32/87/152283287.db2.gz ZYIZIMKMXBKHJS-GUTXKFCHSA-N 1 0 332.404 2.044 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262711774 152309651 /nfs/dbraw/zinc/30/96/51/152309651.db2.gz CSTGFRYTRRYSQW-MFKMUULPSA-N 1 0 346.412 2.446 10 5 EEBERO C[N@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000068905631 159023671 /nfs/dbraw/zinc/02/36/71/159023671.db2.gz CBCNKOLVXNWPHM-UHFFFAOYSA-N 1 0 335.404 2.354 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nnc3ccccn32)n1 ZINC000351498447 161805046 /nfs/dbraw/zinc/80/50/46/161805046.db2.gz ZOUHBMJBRYCSOC-QWHCGFSZSA-N 1 0 341.375 2.108 10 5 EEBERO Cn1cc(C[NH2+]Cc2ncccc2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355307323 163139952 /nfs/dbraw/zinc/13/99/52/163139952.db2.gz CRQLGSXOZNTQAU-UHFFFAOYSA-N 1 0 339.355 2.386 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)cc1[N+](=O)[O-] ZINC000154261484 292519662 /nfs/dbraw/zinc/51/96/62/292519662.db2.gz UBZARJJQLDWTAL-CXAGYDPISA-N 1 0 338.404 2.433 10 5 EEBERO C[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000277427359 269154556 /nfs/dbraw/zinc/15/45/56/269154556.db2.gz KKAUMAXZFJCYLV-GXSJLCMTSA-N 1 0 327.768 2.201 10 5 EEBERO COCC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1C ZINC000112080374 274031293 /nfs/dbraw/zinc/03/12/93/274031293.db2.gz SBUUTOPVOATNEJ-CYBMUJFWSA-N 1 0 330.388 2.300 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000191782118 274052361 /nfs/dbraw/zinc/05/23/61/274052361.db2.gz VJIGJTSHWWFVOW-BLLLJJGKSA-N 1 0 337.424 2.052 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br ZINC000267294181 274375002 /nfs/dbraw/zinc/37/50/02/274375002.db2.gz YUMGWPDPBKPQKX-NXEZZACHSA-N 1 0 341.209 2.425 10 5 EEBERO C[N@@H+]1CC[C@]2(CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)C1 ZINC000292204837 275393621 /nfs/dbraw/zinc/39/36/21/275393621.db2.gz SPIFDQVJWCWPGK-KRWDZBQOSA-N 1 0 343.387 2.172 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000177028249 276181579 /nfs/dbraw/zinc/18/15/79/276181579.db2.gz ONCJBUXWLFWJKX-AWEZNQCLSA-N 1 0 334.420 2.217 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000194740000 277079417 /nfs/dbraw/zinc/07/94/17/277079417.db2.gz FIKIFFPOGUHKBE-HNNXBMFYSA-N 1 0 346.431 2.022 10 5 EEBERO O=[N+]([O-])c1ccc2ccnc(NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000413053556 312777167 /nfs/dbraw/zinc/77/71/67/312777167.db2.gz KBZWPFNQNDYSQI-HNNXBMFYSA-N 1 0 330.388 2.402 10 5 EEBERO Cc1c(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000418082893 313708132 /nfs/dbraw/zinc/70/81/32/313708132.db2.gz RFOWJDFWRYXUQL-KRWDZBQOSA-N 1 0 332.404 2.188 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000565231039 319164935 /nfs/dbraw/zinc/16/49/35/319164935.db2.gz YVQLEUYPAQFVRL-CABCVRRESA-N 1 0 348.447 2.066 10 5 EEBERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(I)cc1[N+](=O)[O-] ZINC000381395116 323523692 /nfs/dbraw/zinc/52/36/92/323523692.db2.gz TWAFRPVDHRZCPJ-RNFRBKRXSA-N 1 0 335.145 2.347 10 5 EEBERO [NH3+]CCC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000236167675 464212820 /nfs/dbraw/zinc/21/28/20/464212820.db2.gz SAOJBQOWPCJDEO-UHFFFAOYSA-N 1 0 329.198 2.318 10 5 EEBERO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NCc1ccco1 ZINC000128202093 462618890 /nfs/dbraw/zinc/61/88/90/462618890.db2.gz DBSACQOUKRIQPI-ZDUSSCGKSA-N 1 0 331.372 2.415 10 5 EEBERO CCOCC[N@@H+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000116768221 462772297 /nfs/dbraw/zinc/77/22/97/462772297.db2.gz XABYTEDEHTUXCH-INIZCTEOSA-N 1 0 349.431 2.097 10 5 EEBERO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C12CCCC2 ZINC000090554587 462797102 /nfs/dbraw/zinc/79/71/02/462797102.db2.gz SMEUUTOAMLOLON-HZPDHXFCSA-N 1 0 349.431 2.426 10 5 EEBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000155476957 462898063 /nfs/dbraw/zinc/89/80/63/462898063.db2.gz YUYQNPUSGRABRI-ZANVPECISA-N 1 0 327.331 2.332 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121080254 463076483 /nfs/dbraw/zinc/07/64/83/463076483.db2.gz CQQAIKJKXJTORA-SNVBAGLBSA-N 1 0 342.193 2.133 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000026156709 463153284 /nfs/dbraw/zinc/15/32/84/463153284.db2.gz VQFKPAOHPKXJDJ-VXGBXAGGSA-N 1 0 337.376 2.041 10 5 EEBERO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000159142249 463271360 /nfs/dbraw/zinc/27/13/60/463271360.db2.gz MAQSMCFBARAAAR-TXEJJXNPSA-N 1 0 348.359 2.086 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000137020730 463272018 /nfs/dbraw/zinc/27/20/18/463272018.db2.gz QIJBHLGBRZQLNE-PBHICJAKSA-N 1 0 342.399 2.457 10 5 EEBERO O=[N+]([O-])c1cc(F)ccc1Nc1cnn(C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000069772277 463320882 /nfs/dbraw/zinc/32/08/82/463320882.db2.gz RBNBHRNOAKAUAN-AWEZNQCLSA-N 1 0 349.366 2.131 10 5 EEBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000058561893 463608991 /nfs/dbraw/zinc/60/89/91/463608991.db2.gz HJZWAZZQNRBMSF-LBPRGKRZSA-N 1 0 341.433 2.056 10 5 EEBERO CC(C)[N@H+]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)C1 ZINC000126461542 463637629 /nfs/dbraw/zinc/63/76/29/463637629.db2.gz ARGWVTMSUORTLZ-SJCJKPOMSA-N 1 0 344.415 2.464 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177712833 463773951 /nfs/dbraw/zinc/77/39/51/463773951.db2.gz HKNPXQUOAJFIBF-CQSZACIVSA-N 1 0 334.420 2.340 10 5 EEBERO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000172497237 464093334 /nfs/dbraw/zinc/09/33/34/464093334.db2.gz VRLHXAUAPFWNNP-KRWDZBQOSA-N 1 0 346.431 2.407 10 5 EEBERO CC[N@@H+]1CC[C@H]2OCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000292805020 464347034 /nfs/dbraw/zinc/34/70/34/464347034.db2.gz NOSURYVJIAWLFO-DLBZAZTESA-N 1 0 333.388 2.097 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000264549657 464368785 /nfs/dbraw/zinc/36/87/85/464368785.db2.gz RPDDWSBPTVZURX-HNNXBMFYSA-N 1 0 336.411 2.340 10 5 EEBERO C[N@@H+]1CCC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[C@H]21 ZINC000246978521 464638578 /nfs/dbraw/zinc/63/85/78/464638578.db2.gz JWVCDVRMAAPSAN-UKRRQHHQSA-N 1 0 344.415 2.400 10 5 EEBERO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000183093926 464795611 /nfs/dbraw/zinc/79/56/11/464795611.db2.gz GIRHUKWODRSHBB-ZANVPECISA-N 1 0 327.768 2.344 10 5 EEBERO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298889673 465535211 /nfs/dbraw/zinc/53/52/11/465535211.db2.gz ZOLBCMWUAIXNCC-UHFFFAOYSA-N 1 0 343.387 2.317 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000356815539 465555780 /nfs/dbraw/zinc/55/57/80/465555780.db2.gz QBLOQSXFFCBKHU-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO C[NH+](C)CC1(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCC1 ZINC000597092593 468440830 /nfs/dbraw/zinc/44/08/30/468440830.db2.gz ORTIMILLISRCGU-UHFFFAOYSA-N 1 0 341.799 2.436 10 5 EEBERO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000360899771 465625369 /nfs/dbraw/zinc/62/53/69/465625369.db2.gz BBMMOFPQIXHGQI-UHFFFAOYSA-N 1 0 331.376 2.291 10 5 EEBERO CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353326619 465798917 /nfs/dbraw/zinc/79/89/17/465798917.db2.gz CLIUEXHYQVAMIQ-HNNXBMFYSA-N 1 0 333.388 2.130 10 5 EEBERO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 ZINC000301217311 465922476 /nfs/dbraw/zinc/92/24/76/465922476.db2.gz ZYTGOHSUFLAZLP-UHFFFAOYSA-N 1 0 346.431 2.361 10 5 EEBERO COc1cc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000301726154 466019210 /nfs/dbraw/zinc/01/92/10/466019210.db2.gz PZOIBYVICMKAEO-LSDHHAIUSA-N 1 0 335.404 2.029 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302014143 466077916 /nfs/dbraw/zinc/07/79/16/466077916.db2.gz KZORXMPQUBDJEF-AWEZNQCLSA-N 1 0 344.415 2.344 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302014145 466077953 /nfs/dbraw/zinc/07/79/53/466077953.db2.gz KZORXMPQUBDJEF-CQSZACIVSA-N 1 0 344.415 2.344 10 5 EEBERO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594040088 468469769 /nfs/dbraw/zinc/46/97/69/468469769.db2.gz DAFQXGFAHYUIAG-OFQRWUPVSA-N 1 0 338.404 2.272 10 5 EEBERO CCOC(=O)c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000600132688 468469849 /nfs/dbraw/zinc/46/98/49/468469849.db2.gz MRTCQVAZVWTXCX-UHFFFAOYSA-N 1 0 329.356 2.499 10 5 EEBERO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[C@H]1O ZINC000597205086 468479333 /nfs/dbraw/zinc/47/93/33/468479333.db2.gz LKLWUDJBMNUHRU-MCBXIFIFSA-N 1 0 344.415 2.444 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597215131 468482687 /nfs/dbraw/zinc/48/26/87/468482687.db2.gz XFLCZIYXIXFUKX-GFCCVEGCSA-N 1 0 347.415 2.453 10 5 EEBERO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000372931704 466640951 /nfs/dbraw/zinc/64/09/51/466640951.db2.gz WMPIMKLAOAHAPG-LSDHHAIUSA-N 1 0 336.388 2.446 10 5 EEBERO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423964015 466930280 /nfs/dbraw/zinc/93/02/80/466930280.db2.gz FPZXFJWYXJCBPW-IAQYHMDHSA-N 1 0 343.387 2.075 10 5 EEBERO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000423965392 466930606 /nfs/dbraw/zinc/93/06/06/466930606.db2.gz GDLRRQYXKGXCBO-CABCVRRESA-N 1 0 346.431 2.022 10 5 EEBERO CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000412196723 467037051 /nfs/dbraw/zinc/03/70/51/467037051.db2.gz URFMNXKJPAVSIO-IXDOHACOSA-N 1 0 329.400 2.393 10 5 EEBERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418573319 467130346 /nfs/dbraw/zinc/13/03/46/467130346.db2.gz LECRHFAXXUVPFX-MLGOLLRUSA-N 1 0 332.404 2.267 10 5 EEBERO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000408029480 467497154 /nfs/dbraw/zinc/49/71/54/467497154.db2.gz XWGNJXJLTLOEJV-IRXDYDNUSA-N 1 0 342.399 2.361 10 5 EEBERO COc1ccc(-c2ccc(C[NH2+]C3COCCOC3)o2)c([N+](=O)[O-])c1 ZINC000589938081 468197054 /nfs/dbraw/zinc/19/70/54/468197054.db2.gz CDTDFOJZOVHEEE-UHFFFAOYSA-N 1 0 348.355 2.368 10 5 EEBERO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600473156 468567694 /nfs/dbraw/zinc/56/76/94/468567694.db2.gz SDGFJVZURQHIKA-LBPRGKRZSA-N 1 0 347.371 2.070 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000600677863 468618588 /nfs/dbraw/zinc/61/85/88/468618588.db2.gz CCPOVHSKIBXZRY-DOMZBBRYSA-N 1 0 332.404 2.186 10 5 EEBERO COc1cccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000597665698 468630858 /nfs/dbraw/zinc/63/08/58/468630858.db2.gz DEJKMGOSSYYIBJ-UHFFFAOYSA-N 1 0 333.388 2.161 10 5 EEBERO COc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000597667543 468632213 /nfs/dbraw/zinc/63/22/13/468632213.db2.gz QVAKKLCQWMMKEL-UHFFFAOYSA-N 1 0 333.388 2.161 10 5 EEBERO Cc1cccc(C2([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CCC2)c1 ZINC000592146413 468637199 /nfs/dbraw/zinc/63/71/99/468637199.db2.gz OVRRMUSDIVCZKR-INIZCTEOSA-N 1 0 330.388 2.130 10 5 EEBERO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000597696539 468641887 /nfs/dbraw/zinc/64/18/87/468641887.db2.gz CDMZVMOAZKMMTA-GXSJLCMTSA-N 1 0 343.330 2.361 10 5 EEBERO CN(C[C@H]1CCC[N@H+](C)C1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601116702 468747840 /nfs/dbraw/zinc/74/78/40/468747840.db2.gz ORDAUGGKTHKZSL-VIFPVBQESA-N 1 0 335.330 2.125 10 5 EEBERO C[C@H]1C[C@@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000601119690 468749108 /nfs/dbraw/zinc/74/91/08/468749108.db2.gz VPGXXZXOMFFWQJ-IUCAKERBSA-N 1 0 335.330 2.266 10 5 EEBERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601128853 468753972 /nfs/dbraw/zinc/75/39/72/468753972.db2.gz DZXLSNAGONFMHJ-VXNVDRBHSA-N 1 0 333.314 2.242 10 5 EEBERO CN(CC1([NH+](C)C)CCC1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601153111 468762466 /nfs/dbraw/zinc/76/24/66/468762466.db2.gz JMPDVDZMCRNPLP-UHFFFAOYSA-N 1 0 335.330 2.268 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc3ccccc32)c1 ZINC000571724465 468829021 /nfs/dbraw/zinc/82/90/21/468829021.db2.gz GYUNNBBKIAGORH-KRWDZBQOSA-N 1 0 340.383 2.138 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000593022167 468843237 /nfs/dbraw/zinc/84/32/37/468843237.db2.gz CLWDKBKQDBHLAX-RDJZCZTQSA-N 1 0 334.372 2.429 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000593033450 468846677 /nfs/dbraw/zinc/84/66/77/468846677.db2.gz TUZITWKDYKWFNG-HNNXBMFYSA-N 1 0 334.372 2.261 10 5 EEBERO Cc1cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000601434949 468871679 /nfs/dbraw/zinc/87/16/79/468871679.db2.gz LPHVIURXFPBZMF-UHFFFAOYSA-N 1 0 347.462 2.117 10 5 EEBERO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593189681 468900222 /nfs/dbraw/zinc/90/02/22/468900222.db2.gz YENXRRLYULCQQF-GMTAPVOTSA-N 1 0 341.358 2.355 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000598540381 468906519 /nfs/dbraw/zinc/90/65/19/468906519.db2.gz OJYOGUHJTYMVOQ-AWEZNQCLSA-N 1 0 335.404 2.086 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000598540578 468906726 /nfs/dbraw/zinc/90/67/26/468906726.db2.gz PYCHEVKKZBWJHT-QGZVFWFLSA-N 1 0 349.431 2.097 10 5 EEBERO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(=O)OC(C)(C)C ZINC000584716634 468920500 /nfs/dbraw/zinc/92/05/00/468920500.db2.gz HLVXJZLZVDCGMO-TZMCWYRMSA-N 1 0 338.408 2.091 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595631303 468931927 /nfs/dbraw/zinc/93/19/27/468931927.db2.gz GWCXKWSYIRWTDL-YSVLISHTSA-N 1 0 338.404 2.129 10 5 EEBERO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@H]21 ZINC000601618281 468938586 /nfs/dbraw/zinc/93/85/86/468938586.db2.gz ZHGBFULGMYAJNE-ZSHCYNCHSA-N 1 0 329.400 2.035 10 5 EEBERO COc1ccc(OCC[N@@H+]2CCC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000595749979 468986436 /nfs/dbraw/zinc/98/64/36/468986436.db2.gz JDLXFLQCTKSRKV-KRWDZBQOSA-N 1 0 336.388 2.219 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595757477 468991612 /nfs/dbraw/zinc/99/16/12/468991612.db2.gz JQFXRKGYWLRERK-GUYCJALGSA-N 1 0 333.388 2.200 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864208 469052778 /nfs/dbraw/zinc/05/27/78/469052778.db2.gz RCHOESSWUJBTIG-PBHICJAKSA-N 1 0 333.432 2.495 10 5 EEBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(C2CC[NH2+]CC2)no1 ZINC000595919090 469083939 /nfs/dbraw/zinc/08/39/39/469083939.db2.gz HMEZMBXIUJGVFL-UHFFFAOYSA-N 1 0 344.371 2.022 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595935835 469090607 /nfs/dbraw/zinc/09/06/07/469090607.db2.gz VZXBWUYPFFSQSP-CQSZACIVSA-N 1 0 347.415 2.455 10 5 EEBERO O=[N+]([O-])c1c(NCCC[NH+]2CCC(O)CC2)ccc2cnccc21 ZINC000599024257 469092140 /nfs/dbraw/zinc/09/21/40/469092140.db2.gz OEQLMRSMLIFMRE-UHFFFAOYSA-N 1 0 330.388 2.402 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000595946288 469094522 /nfs/dbraw/zinc/09/45/22/469094522.db2.gz ACIYRIOFTJLOCB-CQSZACIVSA-N 1 0 334.420 2.298 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[NH+](CCCF)CC1 ZINC000599093332 469117372 /nfs/dbraw/zinc/11/73/72/469117372.db2.gz OTKDTLOYPWGHOV-UHFFFAOYSA-N 1 0 339.367 2.171 10 5 EEBERO Cc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596070995 469140014 /nfs/dbraw/zinc/14/00/14/469140014.db2.gz VDMFGTYDEYGOST-YOEHRIQHSA-N 1 0 330.388 2.128 10 5 EEBERO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599596771 469303534 /nfs/dbraw/zinc/30/35/34/469303534.db2.gz YAXIFAIAWGGWBV-IONNQARKSA-N 1 0 330.291 2.068 10 5 EEBERO COC(=O)[C@@](C)(NCC[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000599647207 469322973 /nfs/dbraw/zinc/32/29/73/469322973.db2.gz AFUDINDOOQMZES-PBHICJAKSA-N 1 0 335.404 2.057 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595635000 485608596 /nfs/dbraw/zinc/60/85/96/485608596.db2.gz SJRSPPUNBDUCOE-KFNAQCHYSA-N 1 0 348.403 2.127 10 5 EEBERO O=C(NCc1ccnc(-n2ccnc2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731456733 577102119 /nfs/dbraw/zinc/10/21/19/577102119.db2.gz FCOCIEVISOKHJZ-UHFFFAOYSA-N 1 0 341.302 2.245 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]4COCC[C@H]43)n2)cc1 ZINC000756887981 577852456 /nfs/dbraw/zinc/85/24/56/577852456.db2.gz NCGOQRBJNCEHKL-GOEBONIOSA-N 1 0 343.387 2.312 10 5 EEBERO COCC[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000750170862 577988429 /nfs/dbraw/zinc/98/84/29/577988429.db2.gz BJDVBQNLISMQPE-LLVKDONJSA-N 1 0 327.356 2.265 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]([NH3+])C3CC3)cc2[N+](=O)[O-])C1 ZINC000261985577 682732772 /nfs/dbraw/zinc/73/27/72/682732772.db2.gz XGAWADKQURGLNC-DOMZBBRYSA-N 1 0 346.431 2.298 10 5 EEBERO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899986673 693954669 /nfs/dbraw/zinc/95/46/69/693954669.db2.gz OLBTWFHLUWITSM-ZBFHGGJFSA-N 1 0 332.404 2.140 10 5 EEBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC001691017311 1176496910 /nfs/dbraw/zinc/49/69/10/1176496910.db2.gz DCQADCGHVPYTBX-GHMZBOCLSA-N 1 0 331.825 2.005 10 5 EEBERO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(C)c(F)c1 ZINC001266560577 1176847323 /nfs/dbraw/zinc/84/73/23/1176847323.db2.gz RVFQKNLKUSBDAW-GDBMZVCRSA-N 1 0 337.395 2.128 10 5 EEBERO CCC[N@H+](CCNC(=O)c1cnco1)Cc1cccc([N+](=O)[O-])c1 ZINC001691187416 1177687553 /nfs/dbraw/zinc/68/75/53/1177687553.db2.gz HRTBQLRPBOZMOY-UHFFFAOYSA-N 1 0 332.360 2.225 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1(NC(=O)CC2CCC2)CCCC1 ZINC001481891266 1182901700 /nfs/dbraw/zinc/90/17/00/1182901700.db2.gz NGRPQPRMFISEKR-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO CCCC(=O)NCCN1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001271898517 1186593277 /nfs/dbraw/zinc/59/32/77/1186593277.db2.gz MUPJZRONXVXMDP-UHFFFAOYSA-N 1 0 348.447 2.065 10 5 EEBERO Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001482984798 1187939669 /nfs/dbraw/zinc/93/96/69/1187939669.db2.gz VBYOVGORBCLWGY-NSCUHMNNSA-N 1 0 340.383 2.374 10 5 EEBERO Cc1cccc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001483716493 1190807595 /nfs/dbraw/zinc/80/75/95/1190807595.db2.gz YFGSHAQPKPCMPM-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484135598 1191227157 /nfs/dbraw/zinc/22/71/57/1191227157.db2.gz BKPIVQSAVFFCJM-HUUCEWRRSA-N 1 0 325.453 2.306 10 5 EEBERO C[C@@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000864618498 1197845535 /nfs/dbraw/zinc/84/55/35/1197845535.db2.gz INRSOSFMYGBOQR-SNVBAGLBSA-N 1 0 343.330 2.071 10 5 EEBERO COCC[NH+]1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872028784 1198030732 /nfs/dbraw/zinc/03/07/32/1198030732.db2.gz SUJHBNLROVLWEQ-GFCCVEGCSA-N 1 0 325.384 2.495 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC000872223739 1198096408 /nfs/dbraw/zinc/09/64/08/1198096408.db2.gz NDPRWWMHUUIRNH-GOSISDBHSA-N 1 0 328.368 2.491 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc3c2CCOC3)c1 ZINC000872223549 1198096686 /nfs/dbraw/zinc/09/66/86/1198096686.db2.gz KCMGBHGUBNGJLG-SFHVURJKSA-N 1 0 328.368 2.491 10 5 EEBERO Cc1ccc(CNC(=S)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000865264158 1198146935 /nfs/dbraw/zinc/14/69/35/1198146935.db2.gz PKKFRIXSYJSNLY-UHFFFAOYSA-N 1 0 336.461 2.209 10 5 EEBERO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1(S(C)(=O)=O)CC1 ZINC000866359640 1201499915 /nfs/dbraw/zinc/49/99/15/1201499915.db2.gz UPWHRVAVPCKESN-WDEREUQCSA-N 1 0 344.408 2.220 10 5 EEBERO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000866412420 1201510424 /nfs/dbraw/zinc/51/04/24/1201510424.db2.gz IVCPAOMIPRIAGY-YOEHRIQHSA-N 1 0 333.432 2.407 10 5 EEBERO O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000866724120 1201590302 /nfs/dbraw/zinc/59/03/02/1201590302.db2.gz IKVHKMZWLWGTML-ZIAGYGMSSA-N 1 0 338.795 2.013 10 5 EEBERO C[C@H]([NH2+]CC(=O)N1C[C@H](C)OC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000930593114 1206569161 /nfs/dbraw/zinc/56/91/61/1206569161.db2.gz CWLQKMIWEJEGKZ-STQMWFEESA-N 1 0 335.404 2.271 10 5 EEBERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](CC[N+](=O)[O-])C2 ZINC000931754095 1207456563 /nfs/dbraw/zinc/45/65/63/1207456563.db2.gz VILXFNPAHYOOFV-INIZCTEOSA-N 1 0 327.425 2.376 10 5 EEBERO CC(C)[C@H]([NH3+])CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000851657741 1277703946 /nfs/dbraw/zinc/70/39/46/1277703946.db2.gz LLEDSKPYOUZHNF-CYBMUJFWSA-N 1 0 328.800 2.421 10 5 EEBERO CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C)C1 ZINC000855360834 1293188912 /nfs/dbraw/zinc/18/89/12/1293188912.db2.gz PCBYVIXERDZBAK-NSHDSACASA-N 1 0 343.786 2.482 10 5 EEBERO CCN(C(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000855491126 1293229979 /nfs/dbraw/zinc/22/99/79/1293229979.db2.gz OMLBSGQLGLQRDJ-LLVKDONJSA-N 1 0 349.416 2.156 10 5 EEBERO CC(F)(F)CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277165324 1301604182 /nfs/dbraw/zinc/60/41/82/1301604182.db2.gz XUEQIVYOTIZHGT-UHFFFAOYSA-N 1 0 327.331 2.379 10 5 EEBERO C[C@@H]1CCC[C@@](CNC(=O)c2ccc([N+](=O)[O-])cc2N)([NH+](C)C)C1 ZINC001142066337 1315449590 /nfs/dbraw/zinc/44/95/90/1315449590.db2.gz VCJRLJUMGNBFPW-SJKOYZFVSA-N 1 0 334.420 2.417 10 5 EEBERO CCCSCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001265467905 1323170776 /nfs/dbraw/zinc/17/07/76/1323170776.db2.gz XWHCAQUMYZOALS-HDJSIYSDSA-N 1 0 337.445 2.475 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC001301039405 1331287128 /nfs/dbraw/zinc/28/71/28/1331287128.db2.gz VXKYBHCTKVCPDL-ZDUSSCGKSA-N 1 0 332.404 2.435 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001332868439 1335921951 /nfs/dbraw/zinc/92/19/51/1335921951.db2.gz XNGDKZNHQHDMBM-HOCLYGCPSA-N 1 0 335.379 2.410 10 5 EEBERO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC001616328106 1352327869 /nfs/dbraw/zinc/32/78/69/1352327869.db2.gz JAGJUNRVIDZZOL-XPLWTBFPSA-N 1 0 331.416 2.162 10 5 EEBERO O=C(Cc1ccc[nH]1)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001565855889 1342570144 /nfs/dbraw/zinc/57/01/44/1342570144.db2.gz ATYXVHGBSKOFGB-VDISTLRHSA-N 1 0 348.428 2.212 10 5 EEBERO CC[N@H+](CCNC(=O)c1ccc(C)n1C)Cc1cccc([N+](=O)[O-])c1 ZINC001567326332 1342741036 /nfs/dbraw/zinc/74/10/36/1342741036.db2.gz FSYPKUOMYUXCBY-UHFFFAOYSA-N 1 0 344.415 2.494 10 5 EEBERO O=C(Cc1cncs1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001569404455 1342865129 /nfs/dbraw/zinc/86/51/29/1342865129.db2.gz PJYAMVOSNPZVQB-UHFFFAOYSA-N 1 0 346.412 2.032 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)c1ccc[nH]1 ZINC001673143260 1356648587 /nfs/dbraw/zinc/64/85/87/1356648587.db2.gz BHVVTYUKTMRGOF-UHFFFAOYSA-N 1 0 328.372 2.365 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000906792634 784163627 /nfs/dbraw/zinc/16/36/27/784163627.db2.gz ODMLHNKWPALWPD-MWLCHTKSSA-N 1 0 340.811 2.385 10 5 EEBERO Cn1nc2c(c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000819325503 785508401 /nfs/dbraw/zinc/50/84/01/785508401.db2.gz FKSQIXNDSKMFKH-KRWDZBQOSA-N 1 0 330.388 2.030 10 5 EEBERO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000844309750 788976030 /nfs/dbraw/zinc/97/60/30/788976030.db2.gz JVZIMQATHGGXBY-INIZCTEOSA-N 1 0 338.360 2.203 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536452 789737904 /nfs/dbraw/zinc/73/79/04/789737904.db2.gz LQRPOONYNQUDDL-SUMWQHHRSA-N 1 0 332.404 2.140 10 5 EEBERO O=C(N[C@@]12CC[N@H+](C1)CCC2)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001175055742 797980078 /nfs/dbraw/zinc/98/00/78/797980078.db2.gz ULBWJDXMNCEXKV-AWEZNQCLSA-N 1 0 327.743 2.355 10 5 EEBERO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001176051928 798337268 /nfs/dbraw/zinc/33/72/68/798337268.db2.gz JVWAREDCYSINGC-FUHWJXTLSA-N 1 0 325.368 2.390 10 5 EEBERO CCOc1ccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000823387185 798726058 /nfs/dbraw/zinc/72/60/58/798726058.db2.gz OIBBZOCJYVIUOH-QZTJIDSGSA-N 1 0 347.415 2.407 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001181840392 800929780 /nfs/dbraw/zinc/92/97/80/800929780.db2.gz RLJFEWLTCQHRJU-GFCCVEGCSA-N 1 0 344.371 2.015 10 5 EEBERO Nc1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000804562444 810931244 /nfs/dbraw/zinc/93/12/44/810931244.db2.gz IEDSRWBSENIVMP-OAHLLOKOSA-N 1 0 334.420 2.258 10 5 EEBERO Cc1ncoc1C(=O)NCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC001566442590 1125604940 /nfs/dbraw/zinc/60/49/40/1125604940.db2.gz LUGKDOAHRCPKGG-UHFFFAOYSA-N 1 0 338.389 2.205 10 5 EEBERO Cc1[nH]nc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001479762178 1098924855 /nfs/dbraw/zinc/92/48/55/1098924855.db2.gz JUXNZRWDWCVTAZ-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO Cc1nc(C(=O)NCCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001479804073 1099041539 /nfs/dbraw/zinc/04/15/39/1099041539.db2.gz PCXGYEHDHJBNBS-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1(O)CCCC1 ZINC001459798948 1110248117 /nfs/dbraw/zinc/24/81/17/1110248117.db2.gz XOLFSSICOYGXPO-UHFFFAOYSA-N 1 0 332.360 2.382 10 5 EEBERO C[NH+](C)C1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CCC1 ZINC001466964122 1110447283 /nfs/dbraw/zinc/44/72/83/1110447283.db2.gz XWSCOLZUKGQCSD-UHFFFAOYSA-N 1 0 344.774 2.184 10 5 EEBERO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC001473732221 1110579427 /nfs/dbraw/zinc/57/94/27/1110579427.db2.gz POADMUFOTAEUOY-KRWDZBQOSA-N 1 0 349.387 2.163 10 5 EEBERO Cc1c(CC(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001526620410 1120554536 /nfs/dbraw/zinc/55/45/36/1120554536.db2.gz LAPPXTMGZZBFFH-MRXNPFEDSA-N 1 0 348.399 2.242 10 5 EEBERO CC(C)CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1CC[NH+](C)CC1 ZINC001542938836 1124118125 /nfs/dbraw/zinc/11/81/25/1124118125.db2.gz QEAODHHTAGPVJT-UHFFFAOYSA-N 1 0 343.815 2.164 10 5 EEBERO C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000174255434 231160869 /nfs/dbraw/zinc/16/08/69/231160869.db2.gz YHFXIGPFELSZAC-XJKSGUPXSA-N 1 0 334.420 2.261 10 5 EEBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178629963 232319883 /nfs/dbraw/zinc/31/98/83/232319883.db2.gz YFBJILHNEXVLDH-SWLSCSKDSA-N 1 0 343.387 2.486 10 5 EEBERO O=C(Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000037042084 213131213 /nfs/dbraw/zinc/13/12/13/213131213.db2.gz TYUVXAXWYMSSKB-SNVBAGLBSA-N 1 0 328.166 2.438 10 5 EEBERO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193305677 240101001 /nfs/dbraw/zinc/10/10/01/240101001.db2.gz NXGUMXJAKLNMMY-JTQLQIEISA-N 1 0 349.840 2.352 10 5 EEBERO CCOc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000456308019 244212795 /nfs/dbraw/zinc/21/27/95/244212795.db2.gz FWWRYDTXFQWXDN-AGUYFDCRSA-N 1 0 333.388 2.349 10 5 EEBERO Cc1c(C(=O)NCCCC[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000264942225 247068948 /nfs/dbraw/zinc/06/89/48/247068948.db2.gz WDPTZRTUKDPGHP-UHFFFAOYSA-N 1 0 338.364 2.191 10 5 EEBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](C2CCC2)CC1 ZINC000264946401 247071816 /nfs/dbraw/zinc/07/18/16/247071816.db2.gz JAJIORWMRLIOQP-UHFFFAOYSA-N 1 0 328.372 2.386 10 5 EEBERO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1SC ZINC000171303089 533132315 /nfs/dbraw/zinc/13/23/15/533132315.db2.gz VXBACUHDSRBPGT-SNVBAGLBSA-N 1 0 339.417 2.101 10 5 EEBERO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1CC[C@H](O)CC1 ZINC000275887226 256385622 /nfs/dbraw/zinc/38/56/22/256385622.db2.gz PSRCHHSZSDYKTI-MQMHXKEQSA-N 1 0 332.360 2.380 10 5 EEBERO CC1(C)CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261647215 160405050 /nfs/dbraw/zinc/40/50/50/160405050.db2.gz DXHRZCVPCBHRIU-CYBMUJFWSA-N 1 0 340.811 2.246 10 5 EEBERO COc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000324370337 160540926 /nfs/dbraw/zinc/54/09/26/160540926.db2.gz KOCKYCNLQBCUFM-UONOGXRCSA-N 1 0 333.388 2.208 10 5 EEBERO COc1cc(CN2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000352776578 162282307 /nfs/dbraw/zinc/28/23/07/162282307.db2.gz DCMWTMRZDAISLQ-HIFRSBDPSA-N 1 0 325.434 2.081 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000355464665 163199182 /nfs/dbraw/zinc/19/91/82/163199182.db2.gz MCVLNMXEDFHSPS-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO COC1(c2ccccc2)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375576248 167161276 /nfs/dbraw/zinc/16/12/76/167161276.db2.gz FWGWFOODOYKZAG-QGZVFWFLSA-N 1 0 328.368 2.486 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000195293318 268650874 /nfs/dbraw/zinc/65/08/74/268650874.db2.gz QZMDHAZETPTQOS-UHFFFAOYSA-N 1 0 343.387 2.334 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000277550553 269161424 /nfs/dbraw/zinc/16/14/24/269161424.db2.gz YRMKANLKJWFSGS-UHFFFAOYSA-N 1 0 325.796 2.203 10 5 EEBERO C[C@@H]1C[N@H+](CCO)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000452135701 274348172 /nfs/dbraw/zinc/34/81/72/274348172.db2.gz WJUYYKAIIYNNNF-LLVKDONJSA-N 1 0 347.337 2.112 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000109113650 274857382 /nfs/dbraw/zinc/85/73/82/274857382.db2.gz CCHWXSSINAMPJC-OAHLLOKOSA-N 1 0 340.383 2.431 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000283527716 292956624 /nfs/dbraw/zinc/95/66/24/292956624.db2.gz NMZYWKFAKNFRFZ-ZDUSSCGKSA-N 1 0 345.403 2.020 10 5 EEBERO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)C[NH+]1CCCCC1 ZINC000301096802 294821814 /nfs/dbraw/zinc/82/18/14/294821814.db2.gz PDRDRAILAXQQQJ-LBPRGKRZSA-N 1 0 348.403 2.460 10 5 EEBERO C[C@@H](C[NH3+])CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415689812 313167066 /nfs/dbraw/zinc/16/70/66/313167066.db2.gz DETHFJCYOPEQEY-ZETCQYMHSA-N 1 0 331.170 2.074 10 5 EEBERO CC(C)(C)c1ccc(NC(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415706480 313169554 /nfs/dbraw/zinc/16/95/54/313169554.db2.gz VDGCFFFPKTWSCW-GFCCVEGCSA-N 1 0 336.392 2.002 10 5 EEBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000418002020 313683884 /nfs/dbraw/zinc/68/38/84/313683884.db2.gz YDIDCGRWTMDWCJ-GXFFZTMASA-N 1 0 340.811 2.088 10 5 EEBERO CC(C)[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](O)CO ZINC000421408072 314097809 /nfs/dbraw/zinc/09/78/09/314097809.db2.gz KCIXHEMWTWJAJM-HNNXBMFYSA-N 1 0 334.372 2.418 10 5 EEBERO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531633968 317810019 /nfs/dbraw/zinc/81/00/19/317810019.db2.gz IUZZZEDARHGLMY-UHFFFAOYSA-N 1 0 334.420 2.478 10 5 EEBERO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000548365101 318381565 /nfs/dbraw/zinc/38/15/65/318381565.db2.gz PCKFCHOBOHCNNF-ZDUSSCGKSA-N 1 0 344.415 2.424 10 5 EEBERO Cc1nn(C)c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000181878869 323359022 /nfs/dbraw/zinc/35/90/22/323359022.db2.gz JHMMJPLTLAHONF-UHFFFAOYSA-N 1 0 343.387 2.485 10 5 EEBERO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[NH+]2CCC1CC2 ZINC000347920782 465310547 /nfs/dbraw/zinc/31/05/47/465310547.db2.gz DFCBGRNDAUANFK-MRXNPFEDSA-N 1 0 328.372 2.242 10 5 EEBERO Cn1cc([C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C2(CO)CCC2)cn1 ZINC000590603794 468284343 /nfs/dbraw/zinc/28/43/43/468284343.db2.gz RQPBJBUUYPHRMD-INIZCTEOSA-N 1 0 330.388 2.322 10 5 EEBERO CN1CC[NH+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000065568615 462799525 /nfs/dbraw/zinc/79/95/25/462799525.db2.gz AXHQAUIVERWFMR-AWEZNQCLSA-N 1 0 336.411 2.198 10 5 EEBERO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H]1C[NH2+]CCO1 ZINC000094296454 463063781 /nfs/dbraw/zinc/06/37/81/463063781.db2.gz MAJHHWONTVTNHJ-JTQLQIEISA-N 1 0 331.166 2.033 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000127199752 463688697 /nfs/dbraw/zinc/68/86/97/463688697.db2.gz HHXBQTVLTJZNPO-NWDGAFQWSA-N 1 0 332.187 2.421 10 5 EEBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195190919 464014779 /nfs/dbraw/zinc/01/47/79/464014779.db2.gz HXJQUZGBKHKVLU-ZDUSSCGKSA-N 1 0 328.372 2.386 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180589905 464343864 /nfs/dbraw/zinc/34/38/64/464343864.db2.gz YWSYZZBFHVZWSQ-AAEUAGOBSA-N 1 0 331.376 2.251 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189141250 464443199 /nfs/dbraw/zinc/44/31/99/464443199.db2.gz XELSLTOGQSTHBM-CYBMUJFWSA-N 1 0 343.449 2.158 10 5 EEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176092055 464696414 /nfs/dbraw/zinc/69/64/14/464696414.db2.gz ASHVQTDVTSBAOU-CQSZACIVSA-N 1 0 342.399 2.080 10 5 EEBERO O=[N+]([O-])c1ccn(CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000176245852 464731153 /nfs/dbraw/zinc/73/11/53/464731153.db2.gz CIIYBLYFNFYTTA-MRXNPFEDSA-N 1 0 335.452 2.379 10 5 EEBERO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000191207035 464798255 /nfs/dbraw/zinc/79/82/55/464798255.db2.gz XUJMTCVATXJTDC-WQVCFCJDSA-N 1 0 334.372 2.247 10 5 EEBERO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000183200863 464820566 /nfs/dbraw/zinc/82/05/66/464820566.db2.gz DGEUGTHINCHQEK-ZANVPECISA-N 1 0 327.768 2.344 10 5 EEBERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304298608 466278196 /nfs/dbraw/zinc/27/81/96/466278196.db2.gz GOIFKNGBXDILDU-WMLDXEAASA-N 1 0 332.404 2.024 10 5 EEBERO COC(=O)[C@@]1(OC)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000600191235 468490206 /nfs/dbraw/zinc/49/02/06/468490206.db2.gz KOHVQXSSYGSHSN-JZUUQJBKSA-N 1 0 334.372 2.262 10 5 EEBERO O=[N+]([O-])c1cncc(Br)c1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312652709 466531080 /nfs/dbraw/zinc/53/10/80/466531080.db2.gz FUCCSUFXDPEDRT-AOOOYVTPSA-N 1 0 341.209 2.188 10 5 EEBERO CN(C(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000411473509 466832214 /nfs/dbraw/zinc/83/22/14/466832214.db2.gz ABXYPHDNJGMMAG-UHFFFAOYSA-N 1 0 340.383 2.401 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423968099 466931495 /nfs/dbraw/zinc/93/14/95/466931495.db2.gz HQZLSDMYMGUBBN-LSDHHAIUSA-N 1 0 347.415 2.354 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000417844009 466953455 /nfs/dbraw/zinc/95/34/55/466953455.db2.gz HHGAFNWIGNPCMH-GWCFXTLKSA-N 1 0 342.346 2.261 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCCC2)n1 ZINC000427760498 467176190 /nfs/dbraw/zinc/17/61/90/467176190.db2.gz PIOPHJOZYVEMLA-UHFFFAOYSA-N 1 0 337.424 2.196 10 5 EEBERO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000450951820 467214310 /nfs/dbraw/zinc/21/43/10/467214310.db2.gz GPMFUAPCAWJXRT-JTQLQIEISA-N 1 0 333.310 2.116 10 5 EEBERO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1C[NH2+]CCCO1 ZINC000389771434 467401740 /nfs/dbraw/zinc/40/17/40/467401740.db2.gz ASNQZMLUXGHFJE-SNVBAGLBSA-N 1 0 330.182 2.148 10 5 EEBERO C[C@H](O)[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000414598346 467421930 /nfs/dbraw/zinc/42/19/30/467421930.db2.gz XYUSFJVFISNVFJ-SJCJKPOMSA-N 1 0 332.356 2.436 10 5 EEBERO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000414999567 467464722 /nfs/dbraw/zinc/46/47/22/467464722.db2.gz KIENZDDRGQXEOH-NSHDSACASA-N 1 0 337.273 2.283 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)CCC2 ZINC000453276194 467474863 /nfs/dbraw/zinc/47/48/63/467474863.db2.gz XLJMMSVLDUZILC-WMZOPIPTSA-N 1 0 333.432 2.409 10 5 EEBERO Cc1c(Br)c(NCCC2(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000404841243 467478343 /nfs/dbraw/zinc/47/83/43/467478343.db2.gz MQAZOANZHNBGIQ-UHFFFAOYSA-N 1 0 329.198 2.602 10 5 EEBERO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000449357530 467633282 /nfs/dbraw/zinc/63/32/82/467633282.db2.gz AXCLKJLRFMUAND-MPYBMCPGSA-N 1 0 331.416 2.403 10 5 EEBERO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c2c(c1)COCO2 ZINC000449681294 467688229 /nfs/dbraw/zinc/68/82/29/467688229.db2.gz DMRMEZXHOFPSJY-KRWDZBQOSA-N 1 0 334.372 2.464 10 5 EEBERO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449784301 467714192 /nfs/dbraw/zinc/71/41/92/467714192.db2.gz ABEQGXWVLYFVDV-CQSZACIVSA-N 1 0 345.399 2.353 10 5 EEBERO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000488442413 468087207 /nfs/dbraw/zinc/08/72/07/468087207.db2.gz MLTYOWSTMISWJX-NSHDSACASA-N 1 0 341.358 2.406 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000589515150 468157770 /nfs/dbraw/zinc/15/77/70/468157770.db2.gz KGECZBNIIBKOKP-OAHLLOKOSA-N 1 0 335.404 2.298 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000589505125 468158149 /nfs/dbraw/zinc/15/81/49/468158149.db2.gz BOBHNXZNZHYVIX-GOEBONIOSA-N 1 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ZINC000595032004 468746178 /nfs/dbraw/zinc/74/61/78/468746178.db2.gz KUOPACDFQHMVEA-LBPRGKRZSA-N 1 0 344.458 2.244 10 5 EEBERO CN(C[C@@H]1CCC[N@H+](C)C1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601116701 468748142 /nfs/dbraw/zinc/74/81/42/468748142.db2.gz ORDAUGGKTHKZSL-SECBINFHSA-N 1 0 335.330 2.125 10 5 EEBERO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000583805414 468757754 /nfs/dbraw/zinc/75/77/54/468757754.db2.gz YQPXMXNXQICQDQ-LLVKDONJSA-N 1 0 341.358 2.262 10 5 EEBERO C[N@@H+]1CCN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000601161724 468766230 /nfs/dbraw/zinc/76/62/30/468766230.db2.gz UNEWQPZDYYTXLT-HNNXBMFYSA-N 1 0 330.363 2.492 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000601187963 468775251 /nfs/dbraw/zinc/77/52/51/468775251.db2.gz AIFULGKLRQMWPJ-KRWDZBQOSA-N 1 0 330.388 2.036 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000571364324 468776712 /nfs/dbraw/zinc/77/67/12/468776712.db2.gz AYSZFPLLKMBLEG-ZFWWWQNUSA-N 1 0 336.779 2.083 10 5 EEBERO Nc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000595225286 468788600 /nfs/dbraw/zinc/78/86/00/468788600.db2.gz MIJFLNTYHMNINJ-TZMCWYRMSA-N 1 0 332.404 2.171 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000595383039 468833666 /nfs/dbraw/zinc/83/36/66/468833666.db2.gz YHOHYIOTQGEVPA-UHFFFAOYSA-N 1 0 343.449 2.302 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000593033451 468846489 /nfs/dbraw/zinc/84/64/89/468846489.db2.gz TUZITWKDYKWFNG-OAHLLOKOSA-N 1 0 334.372 2.261 10 5 EEBERO Cc1cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])s1 ZINC000601400764 468858530 /nfs/dbraw/zinc/85/85/30/468858530.db2.gz XHUNNXCTWWPWRA-UHFFFAOYSA-N 1 0 347.462 2.070 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C2CC2)C2(CO)CCC2)c1 ZINC000595532740 468890302 /nfs/dbraw/zinc/89/03/02/468890302.db2.gz ADIIOFDQTANMKW-UHFFFAOYSA-N 1 0 334.372 2.261 10 5 EEBERO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601502595 468898325 /nfs/dbraw/zinc/89/83/25/468898325.db2.gz RAVIUYXEWCRHGY-UHFFFAOYSA-N 1 0 341.433 2.090 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000593203468 468903536 /nfs/dbraw/zinc/90/35/36/468903536.db2.gz CYBYQTRQJFNLNX-UHFFFAOYSA-N 1 0 336.436 2.125 10 5 EEBERO Cc1cccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598541137 468907457 /nfs/dbraw/zinc/90/74/57/468907457.db2.gz SRJZPMVIHNSTGN-AWEZNQCLSA-N 1 0 335.404 2.086 10 5 EEBERO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595686433 468955074 /nfs/dbraw/zinc/95/50/74/468955074.db2.gz ZPMBRHNXKITCBD-CZUORRHYSA-N 1 0 336.367 2.278 10 5 EEBERO CN1CCOC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599004234 469084341 /nfs/dbraw/zinc/08/43/41/469084341.db2.gz RCYYLYRSFJLACP-OAHLLOKOSA-N 1 0 331.372 2.275 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000599041420 469096516 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2.263 10 5 EEBERO O=[N+]([O-])c1cccc(Cl)c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596538612 469296555 /nfs/dbraw/zinc/29/65/55/469296555.db2.gz MSNIHVBTSABOBR-LBPRGKRZSA-N 1 0 325.796 2.284 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596540899 469297532 /nfs/dbraw/zinc/29/75/32/469297532.db2.gz VVZOVVKYWYEQGR-HNNXBMFYSA-N 1 0 342.399 2.178 10 5 EEBERO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000596552181 469299759 /nfs/dbraw/zinc/29/97/59/469299759.db2.gz SNTCZAXEGMPFAV-KRWDZBQOSA-N 1 0 341.415 2.218 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(=NC[C@H]3CCC[N@H+](CC4CC4)C3)[nH]c2c1 ZINC000596570690 469303704 /nfs/dbraw/zinc/30/37/04/469303704.db2.gz MUXLVQUTGJRDSG-CYBMUJFWSA-N 1 0 329.404 2.427 10 5 EEBERO CC1([NH+]2CCOCC2)CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000599623138 469313441 /nfs/dbraw/zinc/31/34/41/469313441.db2.gz SORDPFYQINSACY-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)C1 ZINC000599833584 469386440 /nfs/dbraw/zinc/38/64/40/469386440.db2.gz URPLWADCISTIRB-NSHDSACASA-N 1 0 329.360 2.216 10 5 EEBERO CCOc1cc(C[NH+]2CCC(OCCCO)CC2)ccc1[N+](=O)[O-] ZINC000617210304 469620888 /nfs/dbraw/zinc/62/08/88/469620888.db2.gz VIOBEYAJMOIKCT-UHFFFAOYSA-N 1 0 338.404 2.357 10 5 EEBERO Cc1ccnc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1[N+](=O)[O-] ZINC000596422179 485612778 /nfs/dbraw/zinc/61/27/78/485612778.db2.gz CEUFEUVMEXDIAR-MRXNPFEDSA-N 1 0 342.399 2.477 10 5 EEBERO CC[NH+]1CCN(CCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153581252 529145553 /nfs/dbraw/zinc/14/55/53/529145553.db2.gz QBVWZPVKYAZRRA-UHFFFAOYSA-N 1 0 327.816 2.083 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000769896909 577586720 /nfs/dbraw/zinc/58/67/20/577586720.db2.gz HKWZCPTYUZVXCF-YUTCNCBUSA-N 1 0 348.321 2.263 10 5 EEBERO O=C1N(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H]2CCCCN12 ZINC000895347165 684523164 /nfs/dbraw/zinc/52/31/64/684523164.db2.gz ZZDBAZHFJJXIEN-MRXNPFEDSA-N 1 0 332.404 2.017 10 5 EEBERO CCn1cnc(C(=O)NCC[N@H+](CC)Cc2cccc([N+](=O)[O-])c2)c1 ZINC001691048400 1177312840 /nfs/dbraw/zinc/31/28/40/1177312840.db2.gz WXGJSRZFZJDBDJ-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC001267241351 1178591282 /nfs/dbraw/zinc/59/12/82/1178591282.db2.gz UCCCVERZIJPRFJ-HUUCEWRRSA-N 1 0 331.372 2.036 10 5 EEBERO Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cs1 ZINC001269545260 1184370297 /nfs/dbraw/zinc/37/02/97/1184370297.db2.gz JULFBGRZBJPLGS-ZIAGYGMSSA-N 1 0 337.445 2.240 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncoc1C1CC1 ZINC001691540956 1187930491 /nfs/dbraw/zinc/93/04/91/1187930491.db2.gz VCKDSSPUWISJGX-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO Cc1cccnc1C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001482995500 1187975293 /nfs/dbraw/zinc/97/52/93/1187975293.db2.gz SBSLNGYKANPRPB-SNAWJCMRSA-N 1 0 340.383 2.374 10 5 EEBERO [NH3+]C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872147460 1198055065 /nfs/dbraw/zinc/05/50/65/1198055065.db2.gz BGICDRHDXZJFNP-MFKMUULPSA-N 1 0 333.310 2.043 10 5 EEBERO O=C(C[NH2+][C@]12CCC[C@H]1OCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000872312625 1198141436 /nfs/dbraw/zinc/14/14/36/1198141436.db2.gz AZTBONMDMXOPKP-HIFRSBDPSA-N 1 0 339.779 2.488 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H](C)C[C@@H]1CCCC[N@@H+]1C ZINC000870786207 1200878540 /nfs/dbraw/zinc/87/85/40/1200878540.db2.gz ACJLYZFMJGGMNE-JSGCOSHPSA-N 1 0 338.408 2.296 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000866022405 1201405991 /nfs/dbraw/zinc/40/59/91/1201405991.db2.gz XRKAPGIJAYNQLK-UHFFFAOYSA-N 1 0 346.431 2.409 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866206811 1201464638 /nfs/dbraw/zinc/46/46/38/1201464638.db2.gz FYEOHWQJLPNSHA-OCCSQVGLSA-N 1 0 333.388 2.220 10 5 EEBERO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000866208893 1201465279 /nfs/dbraw/zinc/46/52/79/1201465279.db2.gz WTBRUAAPYLOXMK-UKRRQHHQSA-N 1 0 344.415 2.017 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000866397134 1201507399 /nfs/dbraw/zinc/50/73/99/1201507399.db2.gz CXZDBZICZXAZNH-ABAIWWIYSA-N 1 0 335.379 2.408 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414017 1201511217 /nfs/dbraw/zinc/51/12/17/1201511217.db2.gz YLMYVMLREJANTN-OLZOCXBDSA-N 1 0 337.420 2.099 10 5 EEBERO Cc1cc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)ns1 ZINC001273985374 1202225871 /nfs/dbraw/zinc/22/58/71/1202225871.db2.gz ZZOPMMVSXLMTRF-NSCUHMNNSA-N 1 0 346.412 2.436 10 5 EEBERO Cc1nc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC001274464194 1205048418 /nfs/dbraw/zinc/04/84/18/1205048418.db2.gz KWAWJSRGTDTHJK-ONEGZZNKSA-N 1 0 344.371 2.275 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccnc1 ZINC001275953706 1205600914 /nfs/dbraw/zinc/60/09/14/1205600914.db2.gz DERGRJQGFMDWGO-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928448785 1206385904 /nfs/dbraw/zinc/38/59/04/1206385904.db2.gz OQBNEEVCBRMRDQ-PWSUYJOCSA-N 1 0 341.795 2.226 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931310509 1206623508 /nfs/dbraw/zinc/62/35/08/1206623508.db2.gz LGLIOBPFCWXTHB-HDICACEKSA-N 1 0 346.431 2.115 10 5 EEBERO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000801870642 1236326374 /nfs/dbraw/zinc/32/63/74/1236326374.db2.gz AELIGGTZUMTAIP-UHFFFAOYSA-N 1 0 342.290 2.149 10 5 EEBERO CC(C)[N@@H+]1CCO[C@@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000802137671 1236979908 /nfs/dbraw/zinc/97/99/08/1236979908.db2.gz UHFDNCPKRFEMDS-MRXNPFEDSA-N 1 0 336.388 2.180 10 5 EEBERO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000802142117 1236988368 /nfs/dbraw/zinc/98/83/68/1236988368.db2.gz WRGPIQGACUUPBX-CZUORRHYSA-N 1 0 336.388 2.351 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000903468018 1240562915 /nfs/dbraw/zinc/56/29/15/1240562915.db2.gz GMNCLAGCBHPRTN-OAHLLOKOSA-N 1 0 332.404 2.106 10 5 EEBERO Nc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000850720669 1277313694 /nfs/dbraw/zinc/31/36/94/1277313694.db2.gz JFAQJHBIMOPWKY-GDBMZVCRSA-N 1 0 340.383 2.134 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(N3C[C@H]4CC[N@H+](C)[C@H]4C3)c2c1 ZINC001186509442 1279124788 /nfs/dbraw/zinc/12/47/88/1279124788.db2.gz IEKVPUOLHGXBET-BZNIZROVSA-N 1 0 328.372 2.292 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC001273948749 1289985571 /nfs/dbraw/zinc/98/55/71/1289985571.db2.gz VENHGTIVFRIFKA-UPHRSURJSA-N 1 0 339.342 2.402 10 5 EEBERO O=C(C[NH2+]C1(CCO)CCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852118549 1291997768 /nfs/dbraw/zinc/99/77/68/1291997768.db2.gz KEAOCUGRUVDEGL-UHFFFAOYSA-N 1 0 341.795 2.472 10 5 EEBERO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4ccccc43)C[C@H]21 ZINC000861915005 1295598060 /nfs/dbraw/zinc/59/80/60/1295598060.db2.gz YLYPRBSVTUCSNS-FVQHAEBGSA-N 1 0 325.368 2.380 10 5 EEBERO C[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000841161123 1315493339 /nfs/dbraw/zinc/49/33/39/1315493339.db2.gz KAHVTQBPVIBLIX-NKWVEPMBSA-N 1 0 331.170 2.215 10 5 EEBERO CC[NH+](CC)CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1 ZINC001159310966 1319732668 /nfs/dbraw/zinc/73/26/68/1319732668.db2.gz MVNOGTBXEHMECI-UHFFFAOYSA-N 1 0 347.375 2.291 10 5 EEBERO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262155598 1322249424 /nfs/dbraw/zinc/24/94/24/1322249424.db2.gz PVIHJYFPFGDNGT-DOTOQJQBSA-N 1 0 329.400 2.496 10 5 EEBERO CC(F)(F)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001264412978 1322694513 /nfs/dbraw/zinc/69/45/13/1322694513.db2.gz HYIAOCUCZRZIIP-CZMCAQCFSA-N 1 0 333.360 2.296 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(C(F)F)c1 ZINC001264984939 1322833045 /nfs/dbraw/zinc/83/30/45/1322833045.db2.gz HHBMUYWWCHRRHD-ZIAGYGMSSA-N 1 0 341.358 2.228 10 5 EEBERO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)c(C)c1 ZINC001280480295 1324246648 /nfs/dbraw/zinc/24/66/48/1324246648.db2.gz JDPYTAYPZFFBBQ-HZPDHXFCSA-N 1 0 331.416 2.097 10 5 EEBERO CCc1[nH]ccc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001492239506 1331140614 /nfs/dbraw/zinc/14/06/14/1331140614.db2.gz QOAVCYSZBPOROA-UHFFFAOYSA-N 1 0 330.388 2.347 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001349760685 1337645335 /nfs/dbraw/zinc/64/53/35/1337645335.db2.gz RVGNTIQOLVOVJB-HNNXBMFYSA-N 1 0 334.372 2.313 10 5 EEBERO CC[N@@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC001350439762 1337712380 /nfs/dbraw/zinc/71/23/80/1337712380.db2.gz BTUUFLOMNQWZRV-LLVKDONJSA-N 1 0 334.376 2.070 10 5 EEBERO C[NH+]1CCC(ONC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001627403445 1352494568 /nfs/dbraw/zinc/49/45/68/1352494568.db2.gz HUDKAIMEWMTNJM-UHFFFAOYSA-N 1 0 344.371 2.086 10 5 EEBERO C[C@@]1(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001640233554 1352707604 /nfs/dbraw/zinc/70/76/04/1352707604.db2.gz DIKYYHKHURBOLX-OAHLLOKOSA-N 1 0 338.795 2.045 10 5 EEBERO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001654511684 1354150649 /nfs/dbraw/zinc/15/06/49/1354150649.db2.gz XIWZQEHMQHKDHU-KYOSRNDESA-N 1 0 343.387 2.342 10 5 EEBERO Cc1c(C[N@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)cccc1[N+](=O)[O-] ZINC001655791232 1354184799 /nfs/dbraw/zinc/18/47/99/1354184799.db2.gz RJPPLNVKMVQEPT-HDICACEKSA-N 1 0 334.416 2.250 10 5 EEBERO O=C(CC[NH2+][C@@H](CO)c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC001657899367 1354349500 /nfs/dbraw/zinc/34/95/00/1354349500.db2.gz GZJXLCQPRFZRRV-INIZCTEOSA-N 1 0 347.346 2.386 10 5 EEBERO CC(C)OCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001661391844 1354633661 /nfs/dbraw/zinc/63/36/61/1354633661.db2.gz RBVKPBUBDRDNAP-JOCQHMNTSA-N 1 0 341.433 2.208 10 5 EEBERO COCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001666266822 1355499460 /nfs/dbraw/zinc/49/94/60/1355499460.db2.gz SSKNTTRLXNBPDV-SHTZXODSSA-N 1 0 335.404 2.148 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000846698525 790433256 /nfs/dbraw/zinc/43/32/56/790433256.db2.gz INESTTPEGLDENM-NXEZZACHSA-N 1 0 347.824 2.057 10 5 EEBERO C[NH+](C)C1CC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000908011118 785018750 /nfs/dbraw/zinc/01/87/50/785018750.db2.gz ASWRCTTUVVTWLR-UHFFFAOYSA-N 1 0 342.193 2.180 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000922993343 788495572 /nfs/dbraw/zinc/49/55/72/788495572.db2.gz IEPGTVJPAMSUBT-BCNIOPEESA-N 1 0 327.388 2.274 10 5 EEBERO C[N@@H+]1CC[C@H](CC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)C1 ZINC000913386627 788834249 /nfs/dbraw/zinc/83/42/49/788834249.db2.gz XMRKGRGRSPOILJ-SECBINFHSA-N 1 0 329.759 2.345 10 5 EEBERO CCC[C@H](C)[C@@H](CO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000844376078 789072506 /nfs/dbraw/zinc/07/25/06/789072506.db2.gz WOZLEKFDSRFTEN-XHDPSFHLSA-N 1 0 341.383 2.449 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000846291774 790119949 /nfs/dbraw/zinc/11/99/49/790119949.db2.gz RNVMRZQFDUVAPM-UHFFFAOYSA-N 1 0 326.372 2.024 10 5 EEBERO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921941065 798256308 /nfs/dbraw/zinc/25/63/08/798256308.db2.gz YDVUBCAFUBBDDY-UHFFFAOYSA-N 1 0 325.166 2.413 10 5 EEBERO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)c1cocn1 ZINC001495138898 1100809238 /nfs/dbraw/zinc/80/92/38/1100809238.db2.gz MAWKFIUEGVRJFN-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCC[NH+]1CCCC1 ZINC001463736057 1110379616 /nfs/dbraw/zinc/37/96/16/1110379616.db2.gz JOTJYKFXKSSFQP-UHFFFAOYSA-N 1 0 325.796 2.393 10 5 EEBERO CC(C)[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC001464136521 1110388109 /nfs/dbraw/zinc/38/81/09/1110388109.db2.gz LAYCMHYVCKHCRE-HNNXBMFYSA-N 1 0 349.435 2.058 10 5 EEBERO COc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001466717618 1110442151 /nfs/dbraw/zinc/44/21/51/1110442151.db2.gz YOGFZFRELQBRGH-CQSZACIVSA-N 1 0 335.404 2.135 10 5 EEBERO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)c1csnn1 ZINC001502358745 1113644512 /nfs/dbraw/zinc/64/45/12/1113644512.db2.gz SPUJLHMLULUGSL-UHFFFAOYSA-N 1 0 349.416 2.040 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC001538532529 1124029420 /nfs/dbraw/zinc/02/94/20/1124029420.db2.gz ANKLDZCVSUSUOF-AWEZNQCLSA-N 1 0 332.404 2.389 10 5 EEBERO C[C@]([NH3+])(CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440751 214056504 /nfs/dbraw/zinc/05/65/04/214056504.db2.gz WXJLHKDUELNEEU-LBPRGKRZSA-N 1 0 336.175 2.263 10 5 EEBERO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000068346482 215301570 /nfs/dbraw/zinc/30/15/70/215301570.db2.gz PMHGCJXGAXZICM-UHFFFAOYSA-N 1 0 341.433 2.138 10 5 EEBERO CN1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000377675708 283137013 /nfs/dbraw/zinc/13/70/13/283137013.db2.gz UTGNYEBOMHCOAD-HOCLYGCPSA-N 1 0 349.822 2.480 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000153609393 224129883 /nfs/dbraw/zinc/12/98/83/224129883.db2.gz LVNGEWLARZIVRG-NSHDSACASA-N 1 0 342.193 2.133 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)[NH+](CC)CC)n1 ZINC000191813306 256006919 /nfs/dbraw/zinc/00/69/19/256006919.db2.gz ZRZLEJZERHPXQH-ZDUSSCGKSA-N 1 0 339.440 2.298 10 5 EEBERO COC(=O)c1cc(N2CC[NH+](CC3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000267940258 256098522 /nfs/dbraw/zinc/09/85/22/256098522.db2.gz IJGDLXNCTYUBST-UHFFFAOYSA-N 1 0 333.388 2.222 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342079387 161037695 /nfs/dbraw/zinc/03/76/95/161037695.db2.gz SCAKGTGRIIEFQT-SNVBAGLBSA-N 1 0 337.405 2.122 10 5 EEBERO CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342098279 161039375 /nfs/dbraw/zinc/03/93/75/161039375.db2.gz FMDOZVQLOABYTF-LLVKDONJSA-N 1 0 339.342 2.111 10 5 EEBERO O=[N+]([O-])c1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000355722726 163281140 /nfs/dbraw/zinc/28/11/40/163281140.db2.gz RDDBZLBRNDPPJC-QGZVFWFLSA-N 1 0 328.372 2.039 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000369144970 166198632 /nfs/dbraw/zinc/19/86/32/166198632.db2.gz RMAFIASVVOGNMS-MRXNPFEDSA-N 1 0 349.431 2.160 10 5 EEBERO C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000376513298 167341138 /nfs/dbraw/zinc/34/11/38/167341138.db2.gz QCUCLSYDRPRJKX-YPMHNXCESA-N 1 0 348.359 2.202 10 5 EEBERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171674364 227212628 /nfs/dbraw/zinc/21/26/28/227212628.db2.gz UPAZXMQYMVYPKN-KRWDZBQOSA-N 1 0 327.384 2.384 10 5 EEBERO COC(=O)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000280426608 269361401 /nfs/dbraw/zinc/36/14/01/269361401.db2.gz MEFKKKFKYHTSOV-UHFFFAOYSA-N 1 0 349.387 2.307 10 5 EEBERO CCOCCN1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000246111818 274095458 /nfs/dbraw/zinc/09/54/58/274095458.db2.gz PXZHPVLCNFBIHW-GFCCVEGCSA-N 1 0 341.383 2.290 10 5 EEBERO C[C@@H]1C[N@H+](CCCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCO1 ZINC000278600484 274381069 /nfs/dbraw/zinc/38/10/69/274381069.db2.gz ZMLKNYHOYGNYOG-GFCCVEGCSA-N 1 0 333.392 2.384 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000283700873 292977516 /nfs/dbraw/zinc/97/75/16/292977516.db2.gz CITYWYYHRFANER-RYUDHWBXSA-N 1 0 336.392 2.370 10 5 EEBERO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293952670 293336048 /nfs/dbraw/zinc/33/60/48/293336048.db2.gz ZLNGXZNRDPJVQB-GFCCVEGCSA-N 1 0 334.420 2.475 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000171024082 311399978 /nfs/dbraw/zinc/39/99/78/311399978.db2.gz TXUAVAQXWIIMTA-OAHLLOKOSA-N 1 0 342.399 2.201 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414346580 313001344 /nfs/dbraw/zinc/00/13/44/313001344.db2.gz UVICJVRNLKRTEO-MCIONIFRSA-N 1 0 335.404 2.453 10 5 EEBERO Cc1ccc(OC[C@@H](O)C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000569111506 319547584 /nfs/dbraw/zinc/54/75/84/319547584.db2.gz RRBFVSWGWBKDOQ-KRWDZBQOSA-N 1 0 330.384 2.475 10 5 EEBERO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576148292 320145348 /nfs/dbraw/zinc/14/53/48/320145348.db2.gz XLMLBVWKVZZYSQ-HZPDHXFCSA-N 1 0 335.404 2.388 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccc2OC)n1 ZINC000580988329 324162227 /nfs/dbraw/zinc/16/22/27/324162227.db2.gz XIJHVFSJBCIFGF-UHFFFAOYSA-N 1 0 347.375 2.134 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1 ZINC000125863915 463586529 /nfs/dbraw/zinc/58/65/29/463586529.db2.gz KSNWHZAWBNVJJP-YPMHNXCESA-N 1 0 341.433 2.283 10 5 EEBERO Cc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000113227388 462577522 /nfs/dbraw/zinc/57/75/22/462577522.db2.gz ORNCJAOHDDJGPW-CMPLNLGQSA-N 1 0 348.359 2.120 10 5 EEBERO C[C@H]1C[C@H](C)C[NH+](CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)C1 ZINC000521395206 468308985 /nfs/dbraw/zinc/30/89/85/468308985.db2.gz ZNVFGGYZYGJSJI-STQMWFEESA-N 1 0 330.388 2.283 10 5 EEBERO Cc1[nH]nc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000064354573 462698451 /nfs/dbraw/zinc/69/84/51/462698451.db2.gz JWBLOKJLVDHOOR-UHFFFAOYSA-N 1 0 329.360 2.474 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049073670 462951793 /nfs/dbraw/zinc/95/17/93/462951793.db2.gz JLILRASMBOZTBM-UHFFFAOYSA-N 1 0 332.404 2.246 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000522002412 468347770 /nfs/dbraw/zinc/34/77/70/468347770.db2.gz VFAVTTKANNXMFV-KRWDZBQOSA-N 1 0 341.367 2.058 10 5 EEBERO CCn1cc(C[N@@H+]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)cn1 ZINC000193413457 463711438 /nfs/dbraw/zinc/71/14/38/463711438.db2.gz QDWTZLQRIJQAEC-UHFFFAOYSA-N 1 0 344.419 2.106 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000284995541 464419661 /nfs/dbraw/zinc/41/96/61/464419661.db2.gz LPKHVDNFNWTCKF-DLBZAZTESA-N 1 0 328.372 2.052 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000246489796 464591302 /nfs/dbraw/zinc/59/13/02/464591302.db2.gz WDXMVFHEFMCTDG-HOCLYGCPSA-N 1 0 332.404 2.363 10 5 EEBERO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282432822 464817868 /nfs/dbraw/zinc/81/78/68/464817868.db2.gz RLRWAOQMMMENHL-LDYMZIIASA-N 1 0 342.193 2.114 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000249591997 464896561 /nfs/dbraw/zinc/89/65/61/464896561.db2.gz VQZINCQRVZOJGC-SJKOYZFVSA-N 1 0 335.404 2.325 10 5 EEBERO Cc1nn(C)c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000356396220 465359215 /nfs/dbraw/zinc/35/92/15/465359215.db2.gz VPRAOPZWARKBFU-UHFFFAOYSA-N 1 0 349.435 2.045 10 5 EEBERO COc1cc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc([N+](=O)[O-])c1C ZINC000359577397 465464976 /nfs/dbraw/zinc/46/49/76/465464976.db2.gz ASEFLYJKMIABJG-HNNXBMFYSA-N 1 0 333.388 2.078 10 5 EEBERO CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000348638747 465722958 /nfs/dbraw/zinc/72/29/58/465722958.db2.gz FTMSGGKOVRNLJS-QDIHITRGSA-N 1 0 349.435 2.312 10 5 EEBERO CC(C)C[N@@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301690091 466011031 /nfs/dbraw/zinc/01/10/31/466011031.db2.gz XDCLEIPPRNAOMM-GFCCVEGCSA-N 1 0 348.403 2.316 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](O)C(F)(F)F ZINC000349302540 466058720 /nfs/dbraw/zinc/05/87/20/466058720.db2.gz XNXVQIHEMRHRSM-SKDRFNHKSA-N 1 0 349.309 2.215 10 5 EEBERO Cc1ccc(N2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000363113492 466227784 /nfs/dbraw/zinc/22/77/84/466227784.db2.gz GBLKMPYSUKOXJU-UHFFFAOYSA-N 1 0 329.404 2.312 10 5 EEBERO CCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000372228959 466237380 /nfs/dbraw/zinc/23/73/80/466237380.db2.gz RSLITCDZSFGVQJ-IAGOWNOFSA-N 1 0 345.443 2.460 10 5 EEBERO CC1=CC[N@H+](CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000358195274 466531904 /nfs/dbraw/zinc/53/19/04/466531904.db2.gz SIENRLJOTBJPFP-UHFFFAOYSA-N 1 0 344.415 2.315 10 5 EEBERO C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000423984581 466936369 /nfs/dbraw/zinc/93/63/69/466936369.db2.gz PQNDNWKKSGNAOI-CXAGYDPISA-N 1 0 334.420 2.230 10 5 EEBERO COc1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000377769551 467137399 /nfs/dbraw/zinc/13/73/99/467137399.db2.gz MAVULPQLUZCOHS-UHFFFAOYSA-N 1 0 328.368 2.223 10 5 EEBERO O=[N+]([O-])c1ccc2ccnc(NCCCC[NH+]3CCOCC3)c2c1 ZINC000413055789 467161852 /nfs/dbraw/zinc/16/18/52/467161852.db2.gz BLJWDJZRYATNCR-UHFFFAOYSA-N 1 0 330.388 2.667 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CNC(C)(C)C[NH+]1CCCC1 ZINC000452095918 467321046 /nfs/dbraw/zinc/32/10/46/467321046.db2.gz MLBSPCUKZFSSKS-UHFFFAOYSA-N 1 0 334.420 2.306 10 5 EEBERO COC[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000452108944 467325914 /nfs/dbraw/zinc/32/59/14/467325914.db2.gz VNYZCMQDCCONHS-CQSZACIVSA-N 1 0 347.415 2.232 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414333055 467403818 /nfs/dbraw/zinc/40/38/18/467403818.db2.gz HFDOUKKNUTVCDO-NFAWXSAZSA-N 1 0 335.404 2.453 10 5 EEBERO C[N@H+](CCCO)C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000516764665 468045187 /nfs/dbraw/zinc/04/51/87/468045187.db2.gz HXDHEFSTMJBQQN-UHFFFAOYSA-N 1 0 348.447 2.152 10 5 EEBERO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531624146 468065723 /nfs/dbraw/zinc/06/57/23/468065723.db2.gz HEUZFLHDKPQFHH-ZIAGYGMSSA-N 1 0 334.420 2.478 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000590444372 468258046 /nfs/dbraw/zinc/25/80/46/468258046.db2.gz LBZZUUIRFMQIAJ-XHDPSFHLSA-N 1 0 335.379 2.174 10 5 EEBERO COc1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600474049 468568602 /nfs/dbraw/zinc/56/86/02/468568602.db2.gz WMCIXWHFXUCLHE-OAHLLOKOSA-N 1 0 347.415 2.279 10 5 EEBERO [NH3+]C[C@@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(F)(F)F ZINC000594525853 468616023 /nfs/dbraw/zinc/61/60/23/468616023.db2.gz XDVGIMODBZGHGW-GFCCVEGCSA-N 1 0 346.309 2.158 10 5 EEBERO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)c1 ZINC000592139531 468634086 /nfs/dbraw/zinc/63/40/86/468634086.db2.gz LUCVDJXUBCLAMJ-GOSISDBHSA-N 1 0 344.415 2.455 10 5 EEBERO COc1cc(CN[C@@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000600772358 468653470 /nfs/dbraw/zinc/65/34/70/468653470.db2.gz IVIQHZHQNMMUMC-GXSJLCMTSA-N 1 0 345.346 2.087 10 5 EEBERO COc1ccc(OCCN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000592478946 468706664 /nfs/dbraw/zinc/70/66/64/468706664.db2.gz MSDSRHJZIZSIJC-GDBMZVCRSA-N 1 0 349.431 2.446 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCCC2 ZINC000592569936 468731834 /nfs/dbraw/zinc/73/18/34/468731834.db2.gz HTTKHXPCOHGMPC-HNNXBMFYSA-N 1 0 333.388 2.155 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCO[C@H]1CC1(F)F ZINC000595069687 468751991 /nfs/dbraw/zinc/75/19/91/468751991.db2.gz QOPVAXXGXKUUSZ-GWCFXTLKSA-N 1 0 343.330 2.326 10 5 EEBERO CC[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[C@H](C)[NH2+]1 ZINC000598532178 468903124 /nfs/dbraw/zinc/90/31/24/468903124.db2.gz SWZNELQIYVRIPO-WCQYABFASA-N 1 0 343.387 2.197 10 5 EEBERO CCOc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601559679 468918250 /nfs/dbraw/zinc/91/82/50/468918250.db2.gz VRYAHQBJVVVZDA-UONOGXRCSA-N 1 0 333.388 2.208 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595754413 468990002 /nfs/dbraw/zinc/99/00/02/468990002.db2.gz BCYRXULMMBBCQO-DZGCQCFKSA-N 1 0 326.368 2.406 10 5 EEBERO C[C@@]12COC[C@H]1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000595756165 468992398 /nfs/dbraw/zinc/99/23/98/468992398.db2.gz FFIZUMHBDWMOHA-MLGOLLRUSA-N 1 0 330.344 2.113 10 5 EEBERO COc1cc(C[N@H+](CCN2CCOCC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000595808078 469022474 /nfs/dbraw/zinc/02/24/74/469022474.db2.gz KZQJGJFPIVVTMC-UHFFFAOYSA-N 1 0 349.431 2.148 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)n2)cc1 ZINC000595836576 469033769 /nfs/dbraw/zinc/03/37/69/469033769.db2.gz WSCFHEQRUOVPEI-OLZOCXBDSA-N 1 0 330.344 2.113 10 5 EEBERO CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599075850 469109552 /nfs/dbraw/zinc/10/95/52/469109552.db2.gz AJGPRURAZISSHW-XIRDDKMYSA-N 1 0 333.432 2.226 10 5 EEBERO COC(=O)c1c(Cl)c(N2CC[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596125435 469168179 /nfs/dbraw/zinc/16/81/79/469168179.db2.gz BBUZRRRWLIBGKL-SNVBAGLBSA-N 1 0 341.795 2.423 10 5 EEBERO CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000599433060 469253771 /nfs/dbraw/zinc/25/37/71/469253771.db2.gz AFYZSCQGIZSZIA-ZBFHGGJFSA-N 1 0 336.388 2.088 10 5 EEBERO O=[N+]([O-])c1cccc2c1ccnc2N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537404 469296246 /nfs/dbraw/zinc/29/62/46/469296246.db2.gz FHISMCDCTKBNER-AWEZNQCLSA-N 1 0 342.399 2.178 10 5 EEBERO COc1ccc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000611825622 469329893 /nfs/dbraw/zinc/32/98/93/469329893.db2.gz ADFAOTTYTBAIMA-UHFFFAOYSA-N 1 0 348.363 2.006 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829351 469385924 /nfs/dbraw/zinc/38/59/24/469385924.db2.gz FZCOTUBCOKEZMB-NSHDSACASA-N 1 0 329.360 2.359 10 5 EEBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619788566 469681964 /nfs/dbraw/zinc/68/19/64/469681964.db2.gz SPEXIAIHSKPABN-ZDUSSCGKSA-N 1 0 343.387 2.055 10 5 EEBERO C[C@@H]1CC[C@](CO)([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000187909854 534264183 /nfs/dbraw/zinc/26/41/83/534264183.db2.gz QOFGSXMMVXXDEG-PXAZEXFGSA-N 1 0 336.388 2.444 10 5 EEBERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000179571019 534441227 /nfs/dbraw/zinc/44/12/27/534441227.db2.gz KXTDWLCWOJKIQG-TXEJJXNPSA-N 1 0 330.388 2.170 10 5 EEBERO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000741118845 578113064 /nfs/dbraw/zinc/11/30/64/578113064.db2.gz NUYMSDMPPBQYKP-OAHLLOKOSA-N 1 0 336.388 2.037 10 5 EEBERO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841233076 683483608 /nfs/dbraw/zinc/48/36/08/683483608.db2.gz KJSCVOAOYLBMDM-SECBINFHSA-N 1 0 334.710 2.367 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]([C@H]3CCCO3)C1)OCCO2 ZINC000895842860 684740835 /nfs/dbraw/zinc/74/08/35/684740835.db2.gz GDXPPLYFXCMIKD-IUODEOHRSA-N 1 0 334.372 2.367 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898630314 693405238 /nfs/dbraw/zinc/40/52/38/693405238.db2.gz AQMWNULFTLCFNZ-UHFFFAOYSA-N 1 0 347.415 2.276 10 5 EEBERO CC[N@H+](CCNC(=O)c1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266371688 1176438987 /nfs/dbraw/zinc/43/89/87/1176438987.db2.gz HFFQOVCZHPGPPL-UHFFFAOYSA-N 1 0 328.372 2.242 10 5 EEBERO Cc1cc(C)c(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001481248228 1180457333 /nfs/dbraw/zinc/45/73/33/1180457333.db2.gz ZPXCUBJVVWVRSG-UHFFFAOYSA-N 1 0 330.388 2.402 10 5 EEBERO CCc1noc(C)c1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001691600051 1188301135 /nfs/dbraw/zinc/30/11/35/1188301135.db2.gz XQVTYEBBWJVMKE-UHFFFAOYSA-N 1 0 346.387 2.315 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCc1cscn1 ZINC001691633682 1189416157 /nfs/dbraw/zinc/41/61/57/1189416157.db2.gz HZNHKYBXWZKJJD-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO O=C1OCC[C@@H]1CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000872114080 1198049000 /nfs/dbraw/zinc/04/90/00/1198049000.db2.gz TWWJKVNTRKKPPB-MELADBBJSA-N 1 0 336.392 2.208 10 5 EEBERO CN1Cc2ccccc2[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000872236603 1198104486 /nfs/dbraw/zinc/10/44/86/1198104486.db2.gz RZAWPMVKKPLWDQ-QZTJIDSGSA-N 1 0 327.384 2.405 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000865264010 1198146672 /nfs/dbraw/zinc/14/66/72/1198146672.db2.gz NILRUEIICXDBDJ-AWEZNQCLSA-N 1 0 336.461 2.352 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000865999563 1198450146 /nfs/dbraw/zinc/45/01/46/1198450146.db2.gz UEWWJLSDEXFARM-LBPRGKRZSA-N 1 0 330.388 2.400 10 5 EEBERO C[NH+]1CCC(n2cc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])cn2)CC1 ZINC000870533101 1200729632 /nfs/dbraw/zinc/72/96/32/1200729632.db2.gz JZRAMARMVWDEIU-UHFFFAOYSA-N 1 0 347.350 2.449 10 5 EEBERO CC[C@H](C[NH+](C)C)OC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000870554756 1200741522 /nfs/dbraw/zinc/74/15/22/1200741522.db2.gz NDWPDPHNINYUHS-OAHLLOKOSA-N 1 0 332.360 2.278 10 5 EEBERO CC(C)[C@@H](C[NH+](C)C)OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000870571580 1200748565 /nfs/dbraw/zinc/74/85/65/1200748565.db2.gz OZKKFHHAERFIMB-OAHLLOKOSA-N 1 0 334.376 2.074 10 5 EEBERO Cc1ccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000870962730 1200978760 /nfs/dbraw/zinc/97/87/60/1200978760.db2.gz ODNNKKGHFLJLEI-MRXNPFEDSA-N 1 0 325.368 2.406 10 5 EEBERO Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000868363397 1201798965 /nfs/dbraw/zinc/79/89/65/1201798965.db2.gz NGIFEJDNGWMAGU-OAHLLOKOSA-N 1 0 334.420 2.433 10 5 EEBERO C[NH+](C)CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000928836848 1206426298 /nfs/dbraw/zinc/42/62/98/1206426298.db2.gz HZHREXYNEROVTK-KRWDZBQOSA-N 1 0 342.399 2.342 10 5 EEBERO C[N@@H+]1CC[C@H](CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000930364914 1206552551 /nfs/dbraw/zinc/55/25/51/1206552551.db2.gz PYXZZDLQWDAXLW-LLVKDONJSA-N 1 0 325.796 2.249 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c1 ZINC000931718834 1207447978 /nfs/dbraw/zinc/44/79/78/1207447978.db2.gz FJSJBFGZWDUZCW-CABCVRRESA-N 1 0 333.388 2.050 10 5 EEBERO C/C=C(/C)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001273959773 1293383745 /nfs/dbraw/zinc/38/37/45/1293383745.db2.gz UONJHQIJCOMRAM-BNNQUZSASA-N 1 0 347.415 2.316 10 5 EEBERO Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858040543 1293992659 /nfs/dbraw/zinc/99/26/59/1293992659.db2.gz FDPLQUOFDUHHHA-SJORKVTESA-N 1 0 343.383 2.485 10 5 EEBERO CCc1n[nH]c(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC001158102765 1319016988 /nfs/dbraw/zinc/01/69/88/1319016988.db2.gz NDABCJXTBURUIU-UHFFFAOYSA-N 1 0 335.408 2.017 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC001297103605 1329943388 /nfs/dbraw/zinc/94/33/88/1329943388.db2.gz CHAIHSLAELIPSU-NWDGAFQWSA-N 1 0 345.403 2.208 10 5 EEBERO CC[N@H+](CCNC(=O)c1ncoc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317477064 1331619775 /nfs/dbraw/zinc/61/97/75/1331619775.db2.gz KVRNSKQEMREGRB-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001327186978 1334242554 /nfs/dbraw/zinc/24/25/54/1334242554.db2.gz FMJOIZFKMGQCJW-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO CCN(CCC[NH+](CC)CC)c1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC001472760560 1338557149 /nfs/dbraw/zinc/55/71/49/1338557149.db2.gz ZVSRXLDMQSGPJR-UHFFFAOYSA-N 1 0 338.408 2.335 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2nncn2C)CC1 ZINC001620595848 1352361064 /nfs/dbraw/zinc/36/10/64/1352361064.db2.gz PLTWOYIQRDVCFY-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001542178547 1342327872 /nfs/dbraw/zinc/32/78/72/1342327872.db2.gz AXLFIDNUWWGSJZ-AWEZNQCLSA-N 1 0 342.399 2.080 10 5 EEBERO COCC[N@H+](C)CCNc1c2cc(Cl)ccc2ncc1[N+](=O)[O-] ZINC001559090396 1342497341 /nfs/dbraw/zinc/49/73/41/1342497341.db2.gz XMTVSTUKIYINHT-UHFFFAOYSA-N 1 0 338.795 2.208 10 5 EEBERO COc1cccc(C[C@H]2CN(c3ccncc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001559306284 1342500846 /nfs/dbraw/zinc/50/08/46/1342500846.db2.gz NYUBZCYSBXZTJQ-AWEZNQCLSA-N 1 0 328.372 2.019 10 5 EEBERO CCCOCC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001676037788 1357094422 /nfs/dbraw/zinc/09/44/22/1357094422.db2.gz OXDDLRSKJHROTO-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO COCCC(=O)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001570049461 1343004469 /nfs/dbraw/zinc/00/44/69/1343004469.db2.gz NUJYNVMCDHSKDT-UHFFFAOYSA-N 1 0 347.415 2.056 10 5 EEBERO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001624782505 1352430450 /nfs/dbraw/zinc/43/04/50/1352430450.db2.gz GZRYQAJRAPATAW-SNVBAGLBSA-N 1 0 343.815 2.213 10 5 EEBERO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(F)cc1 ZINC001638246654 1352686058 /nfs/dbraw/zinc/68/60/58/1352686058.db2.gz NOPSXIKAZWVXDX-MRXNPFEDSA-N 1 0 346.362 2.349 10 5 EEBERO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC001651332521 1354049099 /nfs/dbraw/zinc/04/90/99/1354049099.db2.gz ZQCKAAMCPILMNY-OCCSQVGLSA-N 1 0 342.403 2.290 10 5 EEBERO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001651361844 1354050331 /nfs/dbraw/zinc/05/03/31/1354050331.db2.gz VUPFAVQQUNBTPU-OAHLLOKOSA-N 1 0 329.404 2.141 10 5 EEBERO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1C ZINC001655496174 1354175168 /nfs/dbraw/zinc/17/51/68/1354175168.db2.gz BNWFRMGEVQIWAS-WBMJQRKESA-N 1 0 333.388 2.220 10 5 EEBERO CCOCC(=O)NCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001666351040 1355515349 /nfs/dbraw/zinc/51/53/49/1355515349.db2.gz OXMCGNJZKFOXDB-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO O=C(CC1CCOCC1)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001668752017 1355997638 /nfs/dbraw/zinc/99/76/38/1355997638.db2.gz UXFGRUZLLRMLLN-OWOJBTEDSA-N 1 0 347.415 2.174 10 5 EEBERO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC([NH+]2CCC2)CC1 ZINC000912880112 788442236 /nfs/dbraw/zinc/44/22/36/788442236.db2.gz RSKOMEKXIYIERV-UHFFFAOYSA-N 1 0 342.399 2.246 10 5 EEBERO [NH3+]C[C@H]1c2ccccc2CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923384931 789469964 /nfs/dbraw/zinc/46/99/64/789469964.db2.gz QBBFBRZSEVRXIB-ROUUACIJSA-N 1 0 327.384 2.186 10 5 EEBERO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC12CCN(CC1)C2 ZINC000913627195 793999542 /nfs/dbraw/zinc/99/95/42/793999542.db2.gz YWPSAKMNCBWOBF-UHFFFAOYSA-N 1 0 347.418 2.119 10 5 EEBERO CC/C=C/CC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171510804 796623086 /nfs/dbraw/zinc/62/30/86/796623086.db2.gz LFCOLNHTFRLFIB-SNAWJCMRSA-N 1 0 341.433 2.161 10 5 EEBERO CC(C)Oc1cc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001179900572 800146518 /nfs/dbraw/zinc/14/65/18/800146518.db2.gz VXCXETLNQFKGQI-OAHLLOKOSA-N 1 0 347.415 2.454 10 5 EEBERO C[C@H]1CC[N@H+](CCNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001566013080 1125499221 /nfs/dbraw/zinc/49/92/21/1125499221.db2.gz IQMIPUDAWRDULP-NSHDSACASA-N 1 0 325.796 2.249 10 5 EEBERO COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc([N+](=O)[O-])c1 ZINC001444662737 1099501243 /nfs/dbraw/zinc/50/12/43/1099501243.db2.gz KAYBUSSJHTWATO-HNNXBMFYSA-N 1 0 349.387 2.440 10 5 EEBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)c1cn[nH]c1 ZINC001495897946 1101736648 /nfs/dbraw/zinc/73/66/48/1101736648.db2.gz ORIPWWZJBCWVKU-UHFFFAOYSA-N 1 0 349.416 2.212 10 5 EEBERO CCCc1n[nH]c(C(=O)NCCCCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001457431609 1109596265 /nfs/dbraw/zinc/59/62/65/1109596265.db2.gz ZQCHXSOAGUFHHM-UHFFFAOYSA-N 1 0 346.391 2.000 10 5 EEBERO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001460814588 1110325129 /nfs/dbraw/zinc/32/51/29/1110325129.db2.gz DQIHYTAANGTEEE-CHWSQXEVSA-N 1 0 349.387 2.197 10 5 EEBERO Cn1cncc1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001460962837 1110330026 /nfs/dbraw/zinc/33/00/26/1110330026.db2.gz IEPVNJMPIKHOJB-QGZVFWFLSA-N 1 0 330.388 2.241 10 5 EEBERO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001466903484 1110446199 /nfs/dbraw/zinc/44/61/99/1110446199.db2.gz PVKWTWFAFXUSKI-DYVFJYSZSA-N 1 0 345.399 2.201 10 5 EEBERO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccc(=O)[nH]1 ZINC001473825341 1110581569 /nfs/dbraw/zinc/58/15/69/1110581569.db2.gz NTQOLPGPCCUKRX-UHFFFAOYSA-N 1 0 330.344 2.156 10 5 EEBERO Cc1c([N+](=O)[O-])cc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001531656881 1122489879 /nfs/dbraw/zinc/48/98/79/1122489879.db2.gz SIHHOBCSQQZYIL-MRXNPFEDSA-N 1 0 348.359 2.026 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1ccon1 ZINC001567994680 1124221393 /nfs/dbraw/zinc/22/13/93/1124221393.db2.gz ZHCVJQUFCLXSCB-UHFFFAOYSA-N 1 0 344.371 2.415 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(CC)c1 ZINC001568732404 1124746304 /nfs/dbraw/zinc/74/63/04/1124746304.db2.gz SWEOSPUWDNPHIQ-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO Cc1ncc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001568823866 1124842474 /nfs/dbraw/zinc/84/24/74/1124842474.db2.gz SFRKHDOYMJUXIE-PLNGDYQASA-N 1 0 346.412 2.436 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000175036688 529406575 /nfs/dbraw/zinc/40/65/75/529406575.db2.gz ZNMTUQTYGUWATN-ZIAGYGMSSA-N 1 0 333.388 2.302 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2sccc2Cl)cc1 ZINC000193107667 240022569 /nfs/dbraw/zinc/02/25/69/240022569.db2.gz NFSAHACSLCCGFK-OCCSQVGLSA-N 1 0 342.804 2.494 10 5 EEBERO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000451884593 243291072 /nfs/dbraw/zinc/29/10/72/243291072.db2.gz FPWRKCPQMKHPOY-ZWNOBZJWSA-N 1 0 334.294 2.219 10 5 EEBERO O=[N+]([O-])c1ccc2sc([S@](=O)CC3CC[NH2+]CC3)nc2c1 ZINC000095092245 218279910 /nfs/dbraw/zinc/27/99/10/218279910.db2.gz AXMFVLSVCDLDDZ-NRFANRHFSA-N 1 0 325.415 2.312 10 5 EEBERO COc1cc(NCCN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000268149591 256119668 /nfs/dbraw/zinc/11/96/68/256119668.db2.gz DVKFROMHFNGVIQ-UHFFFAOYSA-N 1 0 340.399 2.180 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352268248 153032372 /nfs/dbraw/zinc/03/23/72/153032372.db2.gz WQSFHIZJWSVNHN-UHFFFAOYSA-N 1 0 343.449 2.091 10 5 EEBERO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000125347789 292295812 /nfs/dbraw/zinc/29/58/12/292295812.db2.gz WSPTVWGGYZXCQV-ZDUSSCGKSA-N 1 0 332.404 2.004 10 5 EEBERO C[C@H](O)C[NH+]1CCC(CN(C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105862782 159310053 /nfs/dbraw/zinc/31/00/53/159310053.db2.gz WIFJTLPWEVHXBL-ZDUSSCGKSA-N 1 0 339.411 2.259 10 5 EEBERO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000245905244 160256737 /nfs/dbraw/zinc/25/67/37/160256737.db2.gz QQCRHTFNYCIKBX-ZFWWWQNUSA-N 1 0 343.387 2.056 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246294359 160272037 /nfs/dbraw/zinc/27/20/37/160272037.db2.gz NMPHWZDWPWLMPN-BBRMVZONSA-N 1 0 346.431 2.217 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000247081893 160309743 /nfs/dbraw/zinc/30/97/43/160309743.db2.gz ZNMTUQTYGUWATN-KBPBESRZSA-N 1 0 333.388 2.302 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000342346804 161057939 /nfs/dbraw/zinc/05/79/39/161057939.db2.gz IXOYQESRPXTBHB-LLVKDONJSA-N 1 0 338.408 2.473 10 5 EEBERO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000343673209 161157466 /nfs/dbraw/zinc/15/74/66/161157466.db2.gz QJAQBOSIJIHNBM-WDEREUQCSA-N 1 0 341.358 2.357 10 5 EEBERO CN(CC1([NH+](C)C)CCC1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000343744810 161164402 /nfs/dbraw/zinc/16/44/02/161164402.db2.gz MINFZZYUHYZOOK-UHFFFAOYSA-N 1 0 341.358 2.358 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349302532 161545351 /nfs/dbraw/zinc/54/53/51/161545351.db2.gz XNXVQIHEMRHRSM-JOYOIKCWSA-N 1 0 349.309 2.215 10 5 EEBERO CC(C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCOCC1 ZINC000277776337 269181161 /nfs/dbraw/zinc/18/11/61/269181161.db2.gz MAILZDXLIAGNHM-HNNXBMFYSA-N 1 0 333.392 2.240 10 5 EEBERO COC(=O)c1cc(C)nc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000287565910 274971437 /nfs/dbraw/zinc/97/14/37/274971437.db2.gz CTXBCNSAHSPRDB-UHFFFAOYSA-N 1 0 348.403 2.371 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC[N@@H+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000288158365 275030136 /nfs/dbraw/zinc/03/01/36/275030136.db2.gz ZNAPGVCXKPDWTB-UHFFFAOYSA-N 1 0 336.392 2.005 10 5 EEBERO O=[N+]([O-])c1cc(Br)cnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246465664 275032889 /nfs/dbraw/zinc/03/28/89/275032889.db2.gz KABDBJRQAPNLNH-JTQLQIEISA-N 1 0 327.182 2.037 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccccc1 ZINC000247985191 277137453 /nfs/dbraw/zinc/13/74/53/277137453.db2.gz IEGQFSWEOYRZCI-RHSMWYFYSA-N 1 0 340.383 2.352 10 5 EEBERO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000368471697 278854361 /nfs/dbraw/zinc/85/43/61/278854361.db2.gz VMNXQDJLHCHTAW-SUMWQHHRSA-N 1 0 347.415 2.191 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cs1 ZINC000293851423 293310575 /nfs/dbraw/zinc/31/05/75/293310575.db2.gz BOSBWTYSORSADW-AWEZNQCLSA-N 1 0 326.418 2.314 10 5 EEBERO C[C@@H](C[NH+]1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301093100 294820951 /nfs/dbraw/zinc/82/09/51/294820951.db2.gz LXBLFPYXJYUZDM-NSHDSACASA-N 1 0 334.376 2.212 10 5 EEBERO C[NH2+]CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415702263 313169321 /nfs/dbraw/zinc/16/93/21/313169321.db2.gz PNTPDONPMZAZDJ-UHFFFAOYSA-N 1 0 331.170 2.088 10 5 EEBERO C[NH+](C)C1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000421681837 314140830 /nfs/dbraw/zinc/14/08/30/314140830.db2.gz ZVYZVJUFVFQXPQ-UHFFFAOYSA-N 1 0 341.358 2.405 10 5 EEBERO Cn1cc(CN2CCC3(CC[NH2+]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000422565508 314283782 /nfs/dbraw/zinc/28/37/82/314283782.db2.gz ZBVMAVAUTYTJAJ-UHFFFAOYSA-N 1 0 341.415 2.323 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000517042910 316634933 /nfs/dbraw/zinc/63/49/33/316634933.db2.gz BWYUSIHPWHGMFJ-SJLPKXTDSA-N 1 0 342.395 2.482 10 5 EEBERO O=[N+]([O-])c1cc(Br)cnc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577845378 320279470 /nfs/dbraw/zinc/27/94/70/320279470.db2.gz BKSBKWUBOLKTAY-ZDUSSCGKSA-N 1 0 341.209 2.332 10 5 EEBERO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341204001 465052530 /nfs/dbraw/zinc/05/25/30/465052530.db2.gz DPBYBTPGWMROFB-STQMWFEESA-N 1 0 341.433 2.136 10 5 EEBERO C[C@H]1COC2(CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000075143594 462686425 /nfs/dbraw/zinc/68/64/25/462686425.db2.gz ACALTWDBGVIESM-ZDUSSCGKSA-N 1 0 349.387 2.151 10 5 EEBERO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000064737904 462718019 /nfs/dbraw/zinc/71/80/19/462718019.db2.gz YIWLADLCHXHDBZ-JQWIXIFHSA-N 1 0 341.795 2.226 10 5 EEBERO CNC(=O)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000053572670 463175631 /nfs/dbraw/zinc/17/56/31/463175631.db2.gz KNJBSGAKQIUXDR-UHFFFAOYSA-N 1 0 346.431 2.267 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000080594979 463335063 /nfs/dbraw/zinc/33/50/63/463335063.db2.gz SRSXRPWBQVPUID-UHFFFAOYSA-N 1 0 340.399 2.180 10 5 EEBERO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000161343293 463422919 /nfs/dbraw/zinc/42/29/19/463422919.db2.gz IXKHQLKBIGVSHB-CQSZACIVSA-N 1 0 345.403 2.465 10 5 EEBERO Cn1cc(C[N@@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000105869176 463483647 /nfs/dbraw/zinc/48/36/47/463483647.db2.gz YNBJJJBXTZOUBD-UHFFFAOYSA-N 1 0 329.404 2.036 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000107888577 463585833 /nfs/dbraw/zinc/58/58/33/463585833.db2.gz JTOSUJBLFZFJPN-LBPRGKRZSA-N 1 0 332.404 2.241 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cc1 ZINC000185073363 463747153 /nfs/dbraw/zinc/74/71/53/463747153.db2.gz WDCZVTWXOUKFPB-UHFFFAOYSA-N 1 0 346.362 2.255 10 5 EEBERO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195190909 464015493 /nfs/dbraw/zinc/01/54/93/464015493.db2.gz HXJQUZGBKHKVLU-CYBMUJFWSA-N 1 0 328.372 2.386 10 5 EEBERO C[NH2+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000179139092 464064762 /nfs/dbraw/zinc/06/47/62/464064762.db2.gz XIUBEFGJVSVHOS-UHFFFAOYSA-N 1 0 342.193 2.181 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000182173771 464590176 /nfs/dbraw/zinc/59/01/76/464590176.db2.gz SYXOXBNYQWWBGY-LSDHHAIUSA-N 1 0 346.387 2.285 10 5 EEBERO Cc1cccc(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000176874653 464872010 /nfs/dbraw/zinc/87/20/10/464872010.db2.gz CFXFSAYVINKEPD-AWEZNQCLSA-N 1 0 349.431 2.068 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266962046 464886129 /nfs/dbraw/zinc/88/61/29/464886129.db2.gz XQPKPQFLZMEFLY-AWEZNQCLSA-N 1 0 327.812 2.137 10 5 EEBERO CCOc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177115323 464935303 /nfs/dbraw/zinc/93/53/03/464935303.db2.gz KVJQFCFCDPFLIY-YPMHNXCESA-N 1 0 333.388 2.349 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000593918203 468432771 /nfs/dbraw/zinc/43/27/71/468432771.db2.gz CFNYYZVLFXZKGX-KBMXLJTQSA-N 1 0 333.388 2.096 10 5 EEBERO COc1cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000352766897 465553230 /nfs/dbraw/zinc/55/32/30/465553230.db2.gz DPEPFFXGDOHTGI-CWRNSKLLSA-N 1 0 336.388 2.372 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371242308 465663739 /nfs/dbraw/zinc/66/37/39/465663739.db2.gz GBYMZPUYXZEBNM-XHDPSFHLSA-N 1 0 348.359 2.107 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000362455675 465754249 /nfs/dbraw/zinc/75/42/49/465754249.db2.gz SSUSZOVUHPOFOB-CJNGLKHVSA-N 1 0 333.388 2.059 10 5 EEBERO Cc1ccc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cn1 ZINC000371736826 465971755 /nfs/dbraw/zinc/97/17/55/465971755.db2.gz YZVCAUMGJLTAPJ-UHFFFAOYSA-N 1 0 342.399 2.340 10 5 EEBERO Cc1ccnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301752661 466024211 /nfs/dbraw/zinc/02/42/11/466024211.db2.gz VRKGOUDYOUSIKN-HNNXBMFYSA-N 1 0 334.420 2.379 10 5 EEBERO Nc1nccc([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990997 466059509 /nfs/dbraw/zinc/05/95/09/466059509.db2.gz WBUTXGSRMSWVAF-ZDUSSCGKSA-N 1 0 343.387 2.225 10 5 EEBERO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594042120 468469454 /nfs/dbraw/zinc/46/94/54/468469454.db2.gz GPSXCEOSVOKNBY-HYVNUMGLSA-N 1 0 338.404 2.272 10 5 EEBERO CC(C)NC(=O)c1ccc(N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000302789061 466185994 /nfs/dbraw/zinc/18/59/94/466185994.db2.gz XTEQDHZQMJWIOL-UHFFFAOYSA-N 1 0 332.404 2.017 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC2CCC1(C[NH3+])CC2 ZINC000569378212 468483764 /nfs/dbraw/zinc/48/37/64/468483764.db2.gz KGDQOCUDOPVXFK-UHFFFAOYSA-N 1 0 332.404 2.045 10 5 EEBERO CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347016367 466321984 /nfs/dbraw/zinc/32/19/84/466321984.db2.gz WBWXJQNGTPWKGS-AWEZNQCLSA-N 1 0 333.388 2.059 10 5 EEBERO COC(=O)c1cnc(NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000358156704 466500452 /nfs/dbraw/zinc/50/04/52/466500452.db2.gz WAZMVKUJVHPOGG-UHFFFAOYSA-N 1 0 336.392 2.453 10 5 EEBERO COc1ccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000415438564 466680384 /nfs/dbraw/zinc/68/03/84/466680384.db2.gz LXOAQJJNYDBIOJ-TXEJJXNPSA-N 1 0 334.376 2.067 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423408760 466742008 /nfs/dbraw/zinc/74/20/08/466742008.db2.gz XXLNHONINMFHIE-KCXAZCMYSA-N 1 0 329.404 2.005 10 5 EEBERO C[NH+](C)CC(C)(C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000457216670 467779864 /nfs/dbraw/zinc/77/98/64/467779864.db2.gz DJIHVBQQGTXVEY-UHFFFAOYSA-N 1 0 331.319 2.266 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC000589866097 468191278 /nfs/dbraw/zinc/19/12/78/468191278.db2.gz PSFIRYWMUJBKKO-HZPDHXFCSA-N 1 0 328.372 2.052 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(Cl)o1 ZINC000591725124 468511220 /nfs/dbraw/zinc/51/12/20/468511220.db2.gz CRNGGFUYPSADCO-SNVBAGLBSA-N 1 0 326.736 2.371 10 5 EEBERO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600474099 468568680 /nfs/dbraw/zinc/56/86/80/468568680.db2.gz WYXSWPIIOMBWCN-ZDUSSCGKSA-N 1 0 333.388 2.350 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476445 468706970 /nfs/dbraw/zinc/70/69/70/468706970.db2.gz SUBJIOICCKKUDE-CKEIUWERSA-N 1 0 346.431 2.386 10 5 EEBERO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000594951071 468729850 /nfs/dbraw/zinc/72/98/50/468729850.db2.gz BMHBODCPWHEJHS-PSOPSSQASA-N 1 0 331.372 2.406 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000601104696 468742689 /nfs/dbraw/zinc/74/26/89/468742689.db2.gz DFZQCXIJBPOJTN-IUCAKERBSA-N 1 0 333.314 2.386 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598161226 468782508 /nfs/dbraw/zinc/78/25/08/468782508.db2.gz CXSYFUDZVJGXKQ-UHFFFAOYSA-N 1 0 331.294 2.247 10 5 EEBERO Cc1c(NC(=O)CCN2CCC[C@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601333317 468829877 /nfs/dbraw/zinc/82/98/77/468829877.db2.gz CDCGOWHUIWISMH-YOEHRIQHSA-N 1 0 346.431 2.306 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335426 468830443 /nfs/dbraw/zinc/83/04/43/468830443.db2.gz UIKGCZKRSKOWBM-PBHICJAKSA-N 1 0 346.431 2.306 10 5 EEBERO CCOc1cc(C[NH+]2CCC(Cn3cnnc3)CC2)ccc1[N+](=O)[O-] ZINC000593076961 468861555 /nfs/dbraw/zinc/86/15/55/468861555.db2.gz GPDQXVBMPIGZSR-UHFFFAOYSA-N 1 0 345.403 2.497 10 5 EEBERO CCN1CCCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601439411 468873993 /nfs/dbraw/zinc/87/39/93/468873993.db2.gz GTEKUMFKXTZRMR-JTQLQIEISA-N 1 0 347.462 2.070 10 5 EEBERO O=[N+]([O-])c1ccccc1C[N@@H+](CCc1c[nH]nn1)[C@H]1CC[C@H](O)CC1 ZINC000595564575 468904404 /nfs/dbraw/zinc/90/44/04/468904404.db2.gz ZYTPPVPQLOAOFG-WKILWMFISA-N 1 0 345.403 2.061 10 5 EEBERO COC(=O)c1ccnc(N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598636060 468940833 /nfs/dbraw/zinc/94/08/33/468940833.db2.gz CDSIVZVSWLNBPN-LBPRGKRZSA-N 1 0 336.392 2.309 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593480322 469000130 /nfs/dbraw/zinc/00/01/30/469000130.db2.gz SZDBXOMCKTXMCH-QWHCGFSZSA-N 1 0 330.388 2.034 10 5 EEBERO CC(C)NC(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595851802 469045756 /nfs/dbraw/zinc/04/57/56/469045756.db2.gz UAZPGTWPCUJKAJ-CQSZACIVSA-N 1 0 335.404 2.210 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC000595863309 469052735 /nfs/dbraw/zinc/05/27/35/469052735.db2.gz NDXBEXWZXFDJJQ-OAHLLOKOSA-N 1 0 339.823 2.279 10 5 EEBERO Nc1cc[nH+]c2c1CN(c1nc3c(cc1[N+](=O)[O-])CCCC3)CC2 ZINC000598940837 469058994 /nfs/dbraw/zinc/05/89/94/469058994.db2.gz AQMVDBBAVTUWSG-UHFFFAOYSA-N 1 0 325.372 2.409 10 5 EEBERO C[C@H]1C[C@H](N2CCOCC2)CN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599082381 469110662 /nfs/dbraw/zinc/11/06/62/469110662.db2.gz QBKBPZJIKNOSEV-ZFWWWQNUSA-N 1 0 342.399 2.442 10 5 EEBERO Cn1c2cc(NC[C@H]3CC[N@@H+]3C(C)(C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000596309476 469239603 /nfs/dbraw/zinc/23/96/03/469239603.db2.gz SEEVDBRVFJCKIL-LLVKDONJSA-N 1 0 347.419 2.070 10 5 EEBERO Cn1nnnc1CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611520707 469271124 /nfs/dbraw/zinc/27/11/24/469271124.db2.gz ZXISJPGHFFNOID-QGZVFWFLSA-N 1 0 338.371 2.040 10 5 EEBERO Cn1nnnc1CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611520706 469271189 /nfs/dbraw/zinc/27/11/89/469271189.db2.gz ZXISJPGHFFNOID-KRWDZBQOSA-N 1 0 338.371 2.040 10 5 EEBERO Cn1cc(C[NH2+][C@@H]2CCCN(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836104 469882582 /nfs/dbraw/zinc/88/25/82/469882582.db2.gz LTMMEMMZHMVERO-OAHLLOKOSA-N 1 0 329.404 2.179 10 5 EEBERO CNc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000608907578 469885958 /nfs/dbraw/zinc/88/59/58/469885958.db2.gz MLLFLWKCQMUXHT-UHFFFAOYSA-N 1 0 338.327 2.470 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000152724789 528595319 /nfs/dbraw/zinc/59/53/19/528595319.db2.gz WTSZUAPFRDESHG-UONOGXRCSA-N 1 0 337.420 2.365 10 5 EEBERO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591529 577463619 /nfs/dbraw/zinc/46/36/19/577463619.db2.gz IUOPSDFXFQUQGF-ZFWWWQNUSA-N 1 0 336.388 2.292 10 5 EEBERO NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000766094971 577512752 /nfs/dbraw/zinc/51/27/52/577512752.db2.gz QJFSCEQZCPIGKE-DZGCQCFKSA-N 1 0 346.431 2.197 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928430667 683027354 /nfs/dbraw/zinc/02/73/54/683027354.db2.gz YYHCUERCHBYIAO-PSASIEDQSA-N 1 0 342.193 2.180 10 5 EEBERO Cc1cc(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]n1 ZINC001481161406 1179957491 /nfs/dbraw/zinc/95/74/91/1179957491.db2.gz KKXWWIDMCGXDHZ-UHFFFAOYSA-N 1 0 343.387 2.021 10 5 EEBERO CCc1cc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001483504390 1190518520 /nfs/dbraw/zinc/51/85/20/1190518520.db2.gz POVRQGSXPNOCRS-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052223 1198035919 /nfs/dbraw/zinc/03/59/19/1198035919.db2.gz RIEYEFIOQIDJMY-JTQLQIEISA-N 1 0 330.381 2.209 10 5 EEBERO COCCN(CC1CC[NH+](C)CC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000865996230 1198448953 /nfs/dbraw/zinc/44/89/53/1198448953.db2.gz ITNZSGWVLOKICW-UHFFFAOYSA-N 1 0 342.827 2.438 10 5 EEBERO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000870990634 1200993025 /nfs/dbraw/zinc/99/30/25/1200993025.db2.gz ABDGUCGADWKPIU-KRWDZBQOSA-N 1 0 335.404 2.197 10 5 EEBERO Cc1ccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000868697443 1201861530 /nfs/dbraw/zinc/86/15/30/1201861530.db2.gz BHTWVPHMRZCVQW-CQSZACIVSA-N 1 0 334.420 2.434 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000882639712 1201911610 /nfs/dbraw/zinc/91/16/10/1201911610.db2.gz LOGNDKNUSBWYLC-CQSZACIVSA-N 1 0 335.404 2.344 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000882639711 1201911878 /nfs/dbraw/zinc/91/18/78/1201911878.db2.gz LOGNDKNUSBWYLC-AWEZNQCLSA-N 1 0 335.404 2.344 10 5 EEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887929417 1204510461 /nfs/dbraw/zinc/51/04/61/1204510461.db2.gz VWORJQSICPISFT-IEDYDWBKSA-N 1 0 329.400 2.408 10 5 EEBERO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000927646399 1206285896 /nfs/dbraw/zinc/28/58/96/1206285896.db2.gz VDWLTADPFXBPTN-HNNXBMFYSA-N 1 0 348.403 2.278 10 5 EEBERO C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC[N@@H+]1C ZINC000928448914 1206385943 /nfs/dbraw/zinc/38/59/43/1206385943.db2.gz DRYRDJVPGDBPRB-CJNGLKHVSA-N 1 0 346.431 2.408 10 5 EEBERO C[NH+](C)CCn1ccc(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000931199088 1206614567 /nfs/dbraw/zinc/61/45/67/1206614567.db2.gz CAGQSFNVJMZRIQ-UHFFFAOYSA-N 1 0 349.366 2.063 10 5 EEBERO Cc1c(CONC(=[NH2+])[C@@H]2CN(C(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000779651470 1210714075 /nfs/dbraw/zinc/71/40/75/1210714075.db2.gz DBDXQGHNAIUTOU-HNNXBMFYSA-N 1 0 336.392 2.011 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000903345997 1240282031 /nfs/dbraw/zinc/28/20/31/1240282031.db2.gz IMKZAFGQZVXOFR-HNNXBMFYSA-N 1 0 332.400 2.493 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850495315 1277245782 /nfs/dbraw/zinc/24/57/82/1277245782.db2.gz ZRNZVCHYGWAVIT-XFNZEKPQSA-N 1 0 336.335 2.483 10 5 EEBERO CC(C)[N@H+](CCCNC(=O)c1cn[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC001691703618 1286715330 /nfs/dbraw/zinc/71/53/30/1286715330.db2.gz CQXHYRJPJPUVPU-UHFFFAOYSA-N 1 0 345.403 2.348 10 5 EEBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000852561797 1292134742 /nfs/dbraw/zinc/13/47/42/1292134742.db2.gz UZYPQJQYJQGPGN-WBAXXEDZSA-N 1 0 344.415 2.363 10 5 EEBERO CCOC(=O)C1=CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000863574525 1296340520 /nfs/dbraw/zinc/34/05/20/1296340520.db2.gz AOXUHKFDVIQSFS-CYBMUJFWSA-N 1 0 347.371 2.165 10 5 EEBERO CCOCC(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001278024315 1305718449 /nfs/dbraw/zinc/71/84/49/1305718449.db2.gz XYYFANITTSDIQV-UHFFFAOYSA-N 1 0 335.404 2.102 10 5 EEBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C1(C)C ZINC001142927980 1315802201 /nfs/dbraw/zinc/80/22/01/1315802201.db2.gz RWFDXIVDSLBZBV-LSDHHAIUSA-N 1 0 334.420 2.242 10 5 EEBERO COc1ccc(C(=O)NCCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)o1 ZINC001265942444 1323505425 /nfs/dbraw/zinc/50/54/25/1323505425.db2.gz FRUHWFDLQPMWTA-UHFFFAOYSA-N 1 0 347.371 2.448 10 5 EEBERO Cc1cc(C)c(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)c(C)c1 ZINC001280480437 1324247718 /nfs/dbraw/zinc/24/77/18/1324247718.db2.gz NZXVNGJPMJPWFY-NVXWUHKLSA-N 1 0 345.443 2.406 10 5 EEBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001290984486 1328298578 /nfs/dbraw/zinc/29/85/78/1328298578.db2.gz UHFTZOXVOZOHMW-BETUJISGSA-N 1 0 349.435 2.060 10 5 EEBERO Cc1ncccc1C(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001321220494 1333047332 /nfs/dbraw/zinc/04/73/32/1333047332.db2.gz LJPFZHCIVXSEJC-NSCUHMNNSA-N 1 0 340.383 2.374 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cscn1 ZINC001323405603 1333457698 /nfs/dbraw/zinc/45/76/98/1333457698.db2.gz JZVCXHPTUGOQSR-UHFFFAOYSA-N 1 0 332.385 2.104 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1(NC(=O)CC2CC2)CCCCC1 ZINC001329801482 1334717221 /nfs/dbraw/zinc/71/72/21/1334717221.db2.gz VKXLATNBNJEXRR-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCNc3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001347261782 1337500602 /nfs/dbraw/zinc/50/06/02/1337500602.db2.gz IYOAMTDCDFYAIM-JKIFEVAISA-N 1 0 346.431 2.243 10 5 EEBERO CC1(C)[C@@H]2C[N@@H+](CN3CC[C@H](c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]21 ZINC000848480122 1338705744 /nfs/dbraw/zinc/70/57/44/1338705744.db2.gz NYMUKPNNCQOIAV-OAGGEKHMSA-N 1 0 329.400 2.456 10 5 EEBERO CCOC[C@H]1CC[N@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848479976 1338705783 /nfs/dbraw/zinc/70/57/83/1338705783.db2.gz FENXTNSJOFETGR-WMLDXEAASA-N 1 0 347.415 2.227 10 5 EEBERO CSc1ccc(C(=O)N2CCc3ccnc(N)c3C2)cc1[N+](=O)[O-] ZINC001557841331 1342458249 /nfs/dbraw/zinc/45/82/49/1342458249.db2.gz HWFGEXSAWOXQKU-UHFFFAOYSA-N 1 0 344.396 2.492 10 5 EEBERO COC(=O)[C@]12CCC[C@H]1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC001620545826 1344383100 /nfs/dbraw/zinc/38/31/00/1344383100.db2.gz LXHKRUGCRXNDAD-GUYCJALGSA-N 1 0 334.372 2.249 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)n1 ZINC001584910782 1348771319 /nfs/dbraw/zinc/77/13/19/1348771319.db2.gz IACQSKNVBYAETR-OAHLLOKOSA-N 1 0 343.387 2.116 10 5 EEBERO CC(C)(C(=O)NC[C@@H]1C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC001646288247 1352825756 /nfs/dbraw/zinc/82/57/56/1352825756.db2.gz DDPDVBPYUJEETC-CYBMUJFWSA-N 1 0 349.406 2.470 10 5 EEBERO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](C)[N@H+](C)C3CC3)c2c1 ZINC001651482413 1354054256 /nfs/dbraw/zinc/05/42/56/1354054256.db2.gz IONGAKRZRXJHCH-LLVKDONJSA-N 1 0 330.388 2.468 10 5 EEBERO CCc1cc(NC[C@H]2CC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001652252794 1354083571 /nfs/dbraw/zinc/08/35/71/1354083571.db2.gz QXNYKBDGCKYLKP-OAHLLOKOSA-N 1 0 327.388 2.152 10 5 EEBERO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001654511685 1354151053 /nfs/dbraw/zinc/15/10/53/1354151053.db2.gz XIWZQEHMQHKDHU-LNSITVRQSA-N 1 0 343.387 2.342 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001655886853 1354188724 /nfs/dbraw/zinc/18/87/24/1354188724.db2.gz UFSKJPZZSKICAO-HNNXBMFYSA-N 1 0 349.387 2.233 10 5 EEBERO CC[N@H+](CCCNC(=O)c1ccncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001660605273 1354498949 /nfs/dbraw/zinc/49/89/49/1354498949.db2.gz FVWYNPVYFHUBSE-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO CC(C)Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001663180959 1354932124 /nfs/dbraw/zinc/93/21/24/1354932124.db2.gz UHTFVMUVBRIZAX-IAGOWNOFSA-N 1 0 333.432 2.098 10 5 EEBERO O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001672961334 1356623137 /nfs/dbraw/zinc/62/31/37/1356623137.db2.gz XQYPYXZZPPAONE-QBPKDAKJSA-N 1 0 337.464 2.497 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846687224 790400377 /nfs/dbraw/zinc/40/03/77/790400377.db2.gz MVXVVAYINDTQNT-UHFFFAOYSA-N 1 0 341.795 2.089 10 5 EEBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819106952 785405584 /nfs/dbraw/zinc/40/55/84/785405584.db2.gz RREFOPQNLWFPBG-PIGZYNQJSA-N 1 0 332.404 2.199 10 5 EEBERO Nc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000823945800 787995207 /nfs/dbraw/zinc/99/52/07/787995207.db2.gz WXNXEFNAHGIVBU-UHFFFAOYSA-N 1 0 333.392 2.315 10 5 EEBERO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000912600386 788256021 /nfs/dbraw/zinc/25/60/21/788256021.db2.gz PUNUDFAQKDCNQG-HZPDHXFCSA-N 1 0 347.415 2.353 10 5 EEBERO Cc1cc(F)cc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000913282385 788759847 /nfs/dbraw/zinc/75/98/47/788759847.db2.gz GMLBSIASIMUCEJ-IRXDYDNUSA-N 1 0 335.379 2.456 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913401554 788842220 /nfs/dbraw/zinc/84/22/20/788842220.db2.gz TTYLYEIXRUFLFH-UHFFFAOYSA-N 1 0 334.420 2.217 10 5 EEBERO CC(C)C[N@H+](C)CCCNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000845579339 789870691 /nfs/dbraw/zinc/87/06/91/789870691.db2.gz UENPZRKWUCUDGP-UHFFFAOYSA-N 1 0 336.392 2.316 10 5 EEBERO C[C@H](CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[NH+](C)C ZINC001146890592 791564319 /nfs/dbraw/zinc/56/43/19/791564319.db2.gz KTEZZFWXYZWCCZ-SSDOTTSWSA-N 1 0 332.763 2.040 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC001497640944 1102797431 /nfs/dbraw/zinc/79/74/31/1102797431.db2.gz UIZIVYHTSZYWSL-UPHRSURJSA-N 1 0 332.335 2.138 10 5 EEBERO CC[N@@H+]1C[C@H](NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(C)(C)C1 ZINC001456229444 1109116910 /nfs/dbraw/zinc/11/69/10/1109116910.db2.gz KWKBVFPVNSFLOL-INIZCTEOSA-N 1 0 344.415 2.465 10 5 EEBERO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001466488405 1110436687 /nfs/dbraw/zinc/43/66/87/1110436687.db2.gz GUEMCDHZOSIKRV-GHMZBOCLSA-N 1 0 325.796 2.342 10 5 EEBERO Cc1ccc(NC(=O)Cc2csc(CCC[NH3+])n2)c([N+](=O)[O-])c1 ZINC000071696329 215795261 /nfs/dbraw/zinc/79/52/61/215795261.db2.gz WLOMSFIEXJSUNW-UHFFFAOYSA-N 1 0 334.401 2.432 10 5 EEBERO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000415101439 238819504 /nfs/dbraw/zinc/81/95/04/238819504.db2.gz BLNMQQGDRDYMKH-UKRRQHHQSA-N 1 0 325.434 2.375 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000104405278 159286147 /nfs/dbraw/zinc/28/61/47/159286147.db2.gz GSXWPKKNNCDIKX-UHFFFAOYSA-N 1 0 332.404 2.094 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 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QVKYASKCPJQVJV-QGZVFWFLSA-N 1 0 328.372 2.360 10 5 EEBERO CC(C)[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](O)CO ZINC000421412701 314099284 /nfs/dbraw/zinc/09/92/84/314099284.db2.gz UMUSRDGYFLDNJP-CYBMUJFWSA-N 1 0 334.372 2.418 10 5 EEBERO CC(C)[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+](C)C ZINC000558577665 318717027 /nfs/dbraw/zinc/71/70/27/318717027.db2.gz ZAOLENRRITVFOV-MRXNPFEDSA-N 1 0 332.404 2.321 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000566100410 319244388 /nfs/dbraw/zinc/24/43/88/319244388.db2.gz PSOIKNHHTLUPSD-HIFRSBDPSA-N 1 0 346.431 2.265 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)cn1 ZINC000572305212 319834639 /nfs/dbraw/zinc/83/46/39/319834639.db2.gz HBNOOUIIKDHVJN-MRXNPFEDSA-N 1 0 334.420 2.053 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000574349457 320017465 /nfs/dbraw/zinc/01/74/65/320017465.db2.gz BILMSWHNOYNTQS-CQSZACIVSA-N 1 0 335.404 2.484 10 5 EEBERO CCn1c(CC[NH3+])nnc1Sc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000577367780 320251793 /nfs/dbraw/zinc/25/17/93/320251793.db2.gz DINQTHJVYSDPTR-UHFFFAOYSA-N 1 0 348.432 2.132 10 5 EEBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000578360363 320310211 /nfs/dbraw/zinc/31/02/11/320310211.db2.gz GLJIQGYWRPJEER-RCBQFDQVSA-N 1 0 333.388 2.011 10 5 EEBERO C[NH+]1CCN(C[C@H](Nc2ccc([N+](=O)[O-])nc2)c2ccccc2)CC1 ZINC000580766482 324124624 /nfs/dbraw/zinc/12/46/24/324124624.db2.gz HTBUUUZTNDUDBU-KRWDZBQOSA-N 1 0 341.415 2.390 10 5 EEBERO CN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000347969244 465342583 /nfs/dbraw/zinc/34/25/83/465342583.db2.gz BXVDQFLGLZEXFU-KRWDZBQOSA-N 1 0 344.415 2.335 10 5 EEBERO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000076190816 462819875 /nfs/dbraw/zinc/81/98/75/462819875.db2.gz HJZWAZZQNRBMSF-GFCCVEGCSA-N 1 0 341.433 2.056 10 5 EEBERO COc1ccc(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000067907074 463066531 /nfs/dbraw/zinc/06/65/31/463066531.db2.gz QFBMOLXWNFLTRH-ZDUSSCGKSA-N 1 0 335.404 2.137 10 5 EEBERO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000121517341 463150475 /nfs/dbraw/zinc/15/04/75/463150475.db2.gz MUWCLCBNWRUMLM-LLVKDONJSA-N 1 0 335.385 2.093 10 5 EEBERO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C[C@@H]1CCCO1 ZINC000185191040 463774385 /nfs/dbraw/zinc/77/43/85/463774385.db2.gz CTFDEUMHLIFMLL-LBPRGKRZSA-N 1 0 325.340 2.173 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000263912756 464237477 /nfs/dbraw/zinc/23/74/77/464237477.db2.gz KKKKVOHADODWDN-INIZCTEOSA-N 1 0 334.420 2.340 10 5 EEBERO CC[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000270923053 464272038 /nfs/dbraw/zinc/27/20/38/464272038.db2.gz JLHCRFVYBNXWKA-BBRMVZONSA-N 1 0 335.404 2.130 10 5 EEBERO C[C@H]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[NH2+]1 ZINC000599934625 468417177 /nfs/dbraw/zinc/41/71/77/468417177.db2.gz RVWPECOUOQMCPT-GXTWGEPZSA-N 1 0 332.404 2.409 10 5 EEBERO CC1(C)OCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000295246588 464760834 /nfs/dbraw/zinc/76/08/34/464760834.db2.gz PXUWWZIJYXOKKL-GFCCVEGCSA-N 1 0 327.768 2.344 10 5 EEBERO COC(=O)c1cc(C)nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000286208377 464840031 /nfs/dbraw/zinc/84/00/31/464840031.db2.gz MQNSTFWDBQOFHE-OCCSQVGLSA-N 1 0 348.403 2.005 10 5 EEBERO C[C@@H]1[C@H](C)N(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CCN1C ZINC000359566559 465459777 /nfs/dbraw/zinc/45/97/77/465459777.db2.gz SAGFAXYLVIWNAO-ZJUUUORDSA-N 1 0 343.330 2.361 10 5 EEBERO CCC[NH+]1CCC(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000357231268 465875909 /nfs/dbraw/zinc/87/59/09/465875909.db2.gz YYKXSTVMFGXCRI-UHFFFAOYSA-N 1 0 345.403 2.778 10 5 EEBERO C[N@@H+]1CCO[C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000302271319 466128052 /nfs/dbraw/zinc/12/80/52/466128052.db2.gz HHXBQTVLTJZNPO-NEPJUHHUSA-N 1 0 332.187 2.421 10 5 EEBERO CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000347020288 466327209 /nfs/dbraw/zinc/32/72/09/466327209.db2.gz UCCPYUBTWIWZDG-AWEZNQCLSA-N 1 0 333.388 2.302 10 5 EEBERO [NH3+][C@@H](CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000415693154 466710776 /nfs/dbraw/zinc/71/07/76/466710776.db2.gz HQCROSXLZXJRGQ-NSHDSACASA-N 1 0 343.181 2.216 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423997398 466943582 /nfs/dbraw/zinc/94/35/82/466943582.db2.gz LMHHJEFCWJKHAK-MRXNPFEDSA-N 1 0 326.356 2.085 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000365991508 467015526 /nfs/dbraw/zinc/01/55/26/467015526.db2.gz VKQUWFNTWNVJFN-LBPRGKRZSA-N 1 0 343.387 2.355 10 5 EEBERO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000419400567 467195118 /nfs/dbraw/zinc/19/51/18/467195118.db2.gz MQONSXYTPCFNDK-AWEZNQCLSA-N 1 0 331.376 2.038 10 5 EEBERO COc1ccc(OCC[NH2+]C(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000452096226 467321263 /nfs/dbraw/zinc/32/12/63/467321263.db2.gz NMDCGUBPTCJHIX-UHFFFAOYSA-N 1 0 337.420 2.446 10 5 EEBERO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000449433986 467644675 /nfs/dbraw/zinc/64/46/75/467644675.db2.gz OSSJYPCGMWDPQM-CTTNJFNCSA-N 1 0 332.400 2.470 10 5 EEBERO O=C(CC[NH2+]CC1(CF)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000514933741 467963842 /nfs/dbraw/zinc/96/38/42/467963842.db2.gz XBPXKOGBJFGWTH-UHFFFAOYSA-N 1 0 339.367 2.279 10 5 EEBERO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531883231 468082876 /nfs/dbraw/zinc/08/28/76/468082876.db2.gz LOPYRBAJDKIKQN-UHFFFAOYSA-N 1 0 346.362 2.333 10 5 EEBERO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000531890196 468083321 /nfs/dbraw/zinc/08/33/21/468083321.db2.gz OAXGSVLNTRNUTP-INIZCTEOSA-N 1 0 340.383 2.336 10 5 EEBERO CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000532139021 468099646 /nfs/dbraw/zinc/09/96/46/468099646.db2.gz JXAVCWLHLJCBCT-UHFFFAOYSA-N 1 0 332.404 2.326 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000589505132 468158503 /nfs/dbraw/zinc/15/85/03/468158503.db2.gz BOBHNXZNZHYVIX-ZBFHGGJFSA-N 1 0 347.415 2.298 10 5 EEBERO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+]1CCO ZINC000490047366 468189346 /nfs/dbraw/zinc/18/93/46/468189346.db2.gz SLSWNULGGPXASN-CYBMUJFWSA-N 1 0 337.420 2.275 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600469376 468565931 /nfs/dbraw/zinc/56/59/31/468565931.db2.gz AJAUJMVIMFLMPQ-OAHLLOKOSA-N 1 0 333.388 2.107 10 5 EEBERO CCOc1cc(N2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000591992735 468592045 /nfs/dbraw/zinc/59/20/45/468592045.db2.gz SXAUKOFHAWUQKK-UHFFFAOYSA-N 1 0 335.404 2.295 10 5 EEBERO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC2CCC1(C[NH3+])CC2 ZINC000594531663 468615993 /nfs/dbraw/zinc/61/59/93/468615993.db2.gz VORLOIMVVQHWTA-SFYCDEOASA-N 1 0 332.404 2.125 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2ccc([C@@H]3COCC[NH2+]3)cc2)c1 ZINC000600791709 468659410 /nfs/dbraw/zinc/65/94/10/468659410.db2.gz FRERZVJXJWKCLW-SFHVURJKSA-N 1 0 328.368 2.458 10 5 EEBERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592375919 468685181 /nfs/dbraw/zinc/68/51/81/468685181.db2.gz TYKXULOMGWFXHU-KMUNFCNLSA-N 1 0 342.417 2.308 10 5 EEBERO Cc1cncc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000595088757 468756535 /nfs/dbraw/zinc/75/65/35/468756535.db2.gz CPFQDBHJLWOUHZ-GFCCVEGCSA-N 1 0 343.387 2.243 10 5 EEBERO CC[C@H]1C[N@H+](C)CCCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601188090 468774974 /nfs/dbraw/zinc/77/49/74/468774974.db2.gz BLNQCNLPFFBRQI-VIFPVBQESA-N 1 0 335.330 2.268 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CNC(C)(C)C[NH+]2CCCC2)c1 ZINC000593032247 468845663 /nfs/dbraw/zinc/84/56/63/468845663.db2.gz OXICZJKSHGZBSF-UHFFFAOYSA-N 1 0 335.404 2.345 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(CCO)CCCC3)o2)cc1 ZINC000595508742 468882373 /nfs/dbraw/zinc/88/23/73/468882373.db2.gz KNPBTMXPLSLFCH-UHFFFAOYSA-N 1 0 332.360 2.430 10 5 EEBERO COc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc([N+](=O)[O-])c1C ZINC000601554856 468916271 /nfs/dbraw/zinc/91/62/71/468916271.db2.gz WEBKVONIXDMHQI-OCCSQVGLSA-N 1 0 333.388 2.126 10 5 EEBERO CC[C@@H]1[C@@H](C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000601594866 468930249 /nfs/dbraw/zinc/93/02/49/468930249.db2.gz OPKXCFSQOFBJCB-WMLDXEAASA-N 1 0 344.415 2.465 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)c1 ZINC000595680350 468952902 /nfs/dbraw/zinc/95/29/02/468952902.db2.gz ZROFORQBLOVUFS-IUODEOHRSA-N 1 0 336.388 2.364 10 5 EEBERO COCC1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595910068 469077011 /nfs/dbraw/zinc/07/70/11/469077011.db2.gz PYQOVUGPYFVJNX-UHFFFAOYSA-N 1 0 335.404 2.497 10 5 EEBERO COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000593673409 469089364 /nfs/dbraw/zinc/08/93/64/469089364.db2.gz XENZSHZHNHHQOD-LSDHHAIUSA-N 1 0 332.356 2.436 10 5 EEBERO C[C@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000596207749 469202069 /nfs/dbraw/zinc/20/20/69/469202069.db2.gz FYYKLFJOWPRCCO-JTQLQIEISA-N 1 0 333.310 2.116 10 5 EEBERO COC(=O)CCCCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589190402 469209153 /nfs/dbraw/zinc/20/91/53/469209153.db2.gz JQPHDZIIGJUEIP-UHFFFAOYSA-N 1 0 338.360 2.189 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611579777 469285702 /nfs/dbraw/zinc/28/57/02/469285702.db2.gz OFLVMSOZRCXAEC-GXTWGEPZSA-N 1 0 346.330 2.038 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604562157 469494749 /nfs/dbraw/zinc/49/47/49/469494749.db2.gz GUVIAPDBMRVRHJ-INIZCTEOSA-N 1 0 347.415 2.230 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000610242407 469991993 /nfs/dbraw/zinc/99/19/93/469991993.db2.gz VKBOTMCQWRYNCV-UHFFFAOYSA-N 1 0 349.387 2.175 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)ccc1[N+](=O)[O-] ZINC000595828937 485609904 /nfs/dbraw/zinc/60/99/04/485609904.db2.gz NKPDUAVMEGFTIG-AWEZNQCLSA-N 1 0 333.388 2.048 10 5 EEBERO O=[N+]([O-])c1cccnc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596422886 485612758 /nfs/dbraw/zinc/61/27/58/485612758.db2.gz JEDNOTLILRUAOU-HNNXBMFYSA-N 1 0 328.372 2.169 10 5 EEBERO Cc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000730841337 577061988 /nfs/dbraw/zinc/06/19/88/577061988.db2.gz IHKFYFXFOFNXOL-BETUJISGSA-N 1 0 334.420 2.478 10 5 EEBERO Cc1cncc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001266667068 1177097921 /nfs/dbraw/zinc/09/79/21/1177097921.db2.gz OIOQWEQOMQIWGT-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO Cc1cccnc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001266671507 1177150343 /nfs/dbraw/zinc/15/03/43/1177150343.db2.gz RZSGYROMRWSVAJ-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO CCc1ccnc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001481233320 1180369082 /nfs/dbraw/zinc/36/90/82/1180369082.db2.gz BJSVRMYLLAPXCC-UHFFFAOYSA-N 1 0 342.399 2.414 10 5 EEBERO COc1ccc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001268889732 1183794867 /nfs/dbraw/zinc/79/48/67/1183794867.db2.gz WDPAQOHSDPTQBO-UHFFFAOYSA-N 1 0 347.371 2.448 10 5 EEBERO Cc1cc(Cl)ccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482596232 1187292060 /nfs/dbraw/zinc/29/20/60/1187292060.db2.gz KUVUHNIZDJHJIU-HUUCEWRRSA-N 1 0 339.823 2.204 10 5 EEBERO CCc1cc(C(=O)N(CC)CC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001273273831 1197942020 /nfs/dbraw/zinc/94/20/20/1197942020.db2.gz GYDBMJFBJJRTOZ-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1[nH]ccc1C ZINC001273355974 1198283664 /nfs/dbraw/zinc/28/36/64/1198283664.db2.gz QSMJAMDUUXFZQZ-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000870789746 1200881210 /nfs/dbraw/zinc/88/12/10/1200881210.db2.gz JJOMUBADQYLVGN-STQMWFEESA-N 1 0 338.408 2.333 10 5 EEBERO C[NH+](C)C1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000127978462 1201237293 /nfs/dbraw/zinc/23/72/93/1201237293.db2.gz IFZPQUVFHIGEOD-UHFFFAOYSA-N 1 0 340.811 2.213 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[C@H]21 ZINC000866204620 1201464205 /nfs/dbraw/zinc/46/42/05/1201464205.db2.gz FEFKEGWONFIQBO-GXTWGEPZSA-N 1 0 330.388 2.010 10 5 EEBERO CCC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000866518577 1201538275 /nfs/dbraw/zinc/53/82/75/1201538275.db2.gz BTIPBWZBVAJZCS-RDJZCZTQSA-N 1 0 349.387 2.247 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868382750 1201803682 /nfs/dbraw/zinc/80/36/82/1201803682.db2.gz KIPODUJNADALBT-GXTWGEPZSA-N 1 0 332.404 2.328 10 5 EEBERO Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000869055123 1201930205 /nfs/dbraw/zinc/93/02/05/1201930205.db2.gz QZIALMCOJMKIBW-HUUCEWRRSA-N 1 0 332.404 2.139 10 5 EEBERO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001149051038 1202191999 /nfs/dbraw/zinc/19/19/99/1202191999.db2.gz KJJSQAOONMQAFE-WBMJQRKESA-N 1 0 334.420 2.369 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(F)F ZINC001275638743 1205457601 /nfs/dbraw/zinc/45/76/01/1205457601.db2.gz HXWRMQBACUIFKL-UHFFFAOYSA-N 1 0 329.347 2.434 10 5 EEBERO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cscn1 ZINC001275907239 1205580822 /nfs/dbraw/zinc/58/08/22/1205580822.db2.gz BIUACRODTPNNJB-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000924384956 1205967162 /nfs/dbraw/zinc/96/71/62/1205967162.db2.gz SVHFDARYBKGJHO-UHFFFAOYSA-N 1 0 346.431 2.484 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927646794 1206285980 /nfs/dbraw/zinc/28/59/80/1206285980.db2.gz YKVOUNHWVGWZDB-OAHLLOKOSA-N 1 0 348.403 2.278 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310512 1206623415 /nfs/dbraw/zinc/62/34/15/1206623415.db2.gz LGLIOBPFCWXTHB-QZTJIDSGSA-N 1 0 346.431 2.115 10 5 EEBERO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000902804306 1238572600 /nfs/dbraw/zinc/57/26/00/1238572600.db2.gz OEVXQAZIETUIAB-UHFFFAOYSA-N 1 0 334.420 2.318 10 5 EEBERO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000902906307 1239015139 /nfs/dbraw/zinc/01/51/39/1239015139.db2.gz SSBYSWQUIAQIJC-ZIAGYGMSSA-N 1 0 336.417 2.296 10 5 EEBERO CN1C[C@@H](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000903215629 1240028889 /nfs/dbraw/zinc/02/88/89/1240028889.db2.gz MBFKJIGXOQUZBS-XJKSGUPXSA-N 1 0 331.416 2.374 10 5 EEBERO C[C@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)CS1(=O)=O ZINC000850367765 1277202562 /nfs/dbraw/zinc/20/25/62/1277202562.db2.gz CWSCIUNAWPAXSL-ONGXEEELSA-N 1 0 332.809 2.304 10 5 EEBERO CC1CC[NH+](CC[C@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001196934545 1284346206 /nfs/dbraw/zinc/34/62/06/1284346206.db2.gz BJHGEEFQGFQCTN-MRXNPFEDSA-N 1 0 335.452 2.378 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC001197231410 1284512850 /nfs/dbraw/zinc/51/28/50/1284512850.db2.gz XLUWEHGDYOZOKF-WBVHZDCISA-N 1 0 349.387 2.233 10 5 EEBERO Cc1ccc(-c2noc(-c3c[nH]nc3[C@@H]3CC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000854137212 1292641965 /nfs/dbraw/zinc/64/19/65/1292641965.db2.gz QPPXIXITGCCUGN-LLVKDONJSA-N 1 0 340.343 2.420 10 5 EEBERO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000861345153 1295348864 /nfs/dbraw/zinc/34/88/64/1295348864.db2.gz ZLSBKKPSGAASKX-SJCJKPOMSA-N 1 0 347.371 2.342 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CC[NH2+]C12CCC2 ZINC000861608923 1295476259 /nfs/dbraw/zinc/47/62/59/1295476259.db2.gz YFEPZGAAFHCTKA-ZDUSSCGKSA-N 1 0 338.795 2.332 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001123864393 1310740678 /nfs/dbraw/zinc/74/06/78/1310740678.db2.gz YFKNINGXBFUDEE-IRXDYDNUSA-N 1 0 347.415 2.011 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@]4(CCOC4)C3)n2)cc1 ZINC000840141124 1315308009 /nfs/dbraw/zinc/30/80/09/1315308009.db2.gz NASAXBIYAOEDNG-QGZVFWFLSA-N 1 0 343.387 2.313 10 5 EEBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854509 1315624377 /nfs/dbraw/zinc/62/43/77/1315624377.db2.gz BNPCNMXMNVYKPB-TVQRCGJNSA-N 1 0 326.784 2.045 10 5 EEBERO O=c1[nH]ccc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC001163550946 1321154976 /nfs/dbraw/zinc/15/49/76/1321154976.db2.gz LQFUCXSEIPGYDN-ZBFHGGJFSA-N 1 0 340.383 2.406 10 5 EEBERO C[N@H+](CCCNC(=O)CC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001316816552 1331845494 /nfs/dbraw/zinc/84/54/94/1331845494.db2.gz POLUGPXOTUPXST-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO COCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001317080787 1332072262 /nfs/dbraw/zinc/07/22/62/1332072262.db2.gz JBGDRLIOZRAZPY-SHTZXODSSA-N 1 0 347.415 2.148 10 5 EEBERO CC[N@H+](CCNC(=O)c1ncoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001317477796 1332258713 /nfs/dbraw/zinc/25/87/13/1332258713.db2.gz XWBKTEFJJPPWRI-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO Cc1c[nH]cc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001323613890 1333498017 /nfs/dbraw/zinc/49/80/17/1333498017.db2.gz MGJCXQSAPTZAFO-UHFFFAOYSA-N 1 0 328.372 2.284 10 5 EEBERO COCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001326491202 1334103883 /nfs/dbraw/zinc/10/38/83/1334103883.db2.gz XKIXZVPCNQGSRF-CTYIDZIISA-N 1 0 335.404 2.006 10 5 EEBERO COc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001346468075 1337485158 /nfs/dbraw/zinc/48/51/58/1337485158.db2.gz NXTVFBYURXYYEN-KGYLQXTDSA-N 1 0 334.376 2.065 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001616345814 1352328179 /nfs/dbraw/zinc/32/81/79/1352328179.db2.gz IVRSZAMVXHJWJX-OAHLLOKOSA-N 1 0 333.388 2.057 10 5 EEBERO CN(C)c1ncnc2c1cc(C(=O)Nc1cccc([N+](=O)[O-])c1)n2C ZINC001618547346 1352350989 /nfs/dbraw/zinc/35/09/89/1352350989.db2.gz KVOORDQPHSNFNH-UHFFFAOYSA-N 1 0 340.343 2.195 10 5 EEBERO COc1cc(CN2CCC[C@H](c3cn(C)nn3)C2)c([N+](=O)[O-])cc1F ZINC001620662220 1352361198 /nfs/dbraw/zinc/36/11/98/1352361198.db2.gz ZRLBNEYPYIYAPO-NSHDSACASA-N 1 0 349.366 2.251 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC001597315011 1349922258 /nfs/dbraw/zinc/92/22/58/1349922258.db2.gz WRHCTEPQBZFBIR-CQSZACIVSA-N 1 0 328.372 2.213 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC001598113795 1349935483 /nfs/dbraw/zinc/93/54/83/1349935483.db2.gz XFAWMFNLKOBBSO-ZJUUUORDSA-N 1 0 340.811 2.385 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC001629019123 1352547647 /nfs/dbraw/zinc/54/76/47/1352547647.db2.gz GXPSGTSYIGAZJF-UHFFFAOYSA-N 1 0 337.807 2.487 10 5 EEBERO CC[NH+]1CCC(C(=O)Nc2cc([N+](=O)[O-])n[nH]2)(c2ccccc2)CC1 ZINC001638122811 1352684958 /nfs/dbraw/zinc/68/49/58/1352684958.db2.gz BNKXZJRUQPCVIS-UHFFFAOYSA-N 1 0 343.387 2.310 10 5 EEBERO C[NH+](C)CC1CN(c2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])C1 ZINC001642709720 1352736192 /nfs/dbraw/zinc/73/61/92/1352736192.db2.gz JUHHTYRMGWMFSF-UHFFFAOYSA-N 1 0 331.332 2.049 10 5 EEBERO CC(C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)O ZINC001653551087 1354126669 /nfs/dbraw/zinc/12/66/69/1354126669.db2.gz KMXNGDVIQYOVNI-HNNXBMFYSA-N 1 0 341.383 2.448 10 5 EEBERO C[C@@H](CNc1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC001655091696 1354164240 /nfs/dbraw/zinc/16/42/40/1354164240.db2.gz GWKXGXUSHZLNAB-JTQLQIEISA-N 1 0 345.359 2.368 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC001660524892 1354481245 /nfs/dbraw/zinc/48/12/45/1354481245.db2.gz KTRZSEIALRTNJK-HZPDHXFCSA-N 1 0 337.395 2.128 10 5 EEBERO CC[N@H+](CCNC(=O)c1c(C)noc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001663354356 1354952246 /nfs/dbraw/zinc/95/22/46/1354952246.db2.gz GGSQPXQMOSYJIK-UHFFFAOYSA-N 1 0 346.387 2.452 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)c1cn[nH]c1 ZINC001665904645 1355407681 /nfs/dbraw/zinc/40/76/81/1355407681.db2.gz JKNINTCGBGXQLM-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO Cc1noc(C)c1C(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001668696715 1355989495 /nfs/dbraw/zinc/98/94/95/1355989495.db2.gz SKYZXYPZQPUEJY-ARJAWSKDSA-N 1 0 344.371 2.275 10 5 EEBERO O=C(Cc1ccoc1)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001668792673 1356006390 /nfs/dbraw/zinc/00/63/90/1356006390.db2.gz VQURAMQWHNVTLS-OWOJBTEDSA-N 1 0 329.356 2.193 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000819318835 785524892 /nfs/dbraw/zinc/52/48/92/785524892.db2.gz FHSAXDQGZRMMLS-HOCLYGCPSA-N 1 0 332.331 2.361 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCn4ccnc43)CC2)cc1 ZINC000824527443 788202862 /nfs/dbraw/zinc/20/28/62/788202862.db2.gz WCFJQMHJUYHIJZ-INIZCTEOSA-N 1 0 327.388 2.495 10 5 EEBERO C[NH+](C)C1(C)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000913400456 788841174 /nfs/dbraw/zinc/84/11/74/788841174.db2.gz LANWPLUDHVJMLP-UHFFFAOYSA-N 1 0 334.420 2.340 10 5 EEBERO COC(=O)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000174444642 792099673 /nfs/dbraw/zinc/09/96/73/792099673.db2.gz GUXBVUMSLBKUCY-UHFFFAOYSA-N 1 0 328.390 2.200 10 5 EEBERO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000913815952 794320457 /nfs/dbraw/zinc/32/04/57/794320457.db2.gz VZEMXENZGPNFNE-NWDGAFQWSA-N 1 0 338.795 2.139 10 5 EEBERO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(Br)n1 ZINC000712401676 794507383 /nfs/dbraw/zinc/50/73/83/794507383.db2.gz PUJOZUXXGHAOKL-UHFFFAOYSA-N 1 0 339.193 2.423 10 5 EEBERO COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C1CC1 ZINC001175522590 798144291 /nfs/dbraw/zinc/14/42/91/798144291.db2.gz JKQWIVXDRPLFKU-QGZVFWFLSA-N 1 0 349.387 2.163 10 5 EEBERO CC[N@H+](CCC(=O)NC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001176734799 798541464 /nfs/dbraw/zinc/54/14/64/798541464.db2.gz HRQQSWUORNEXSX-UHFFFAOYSA-N 1 0 332.360 2.208 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC001178707850 799598223 /nfs/dbraw/zinc/59/82/23/799598223.db2.gz ANSVGCRSSWMEEW-OAHLLOKOSA-N 1 0 330.388 2.006 10 5 EEBERO Cc1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1Br ZINC000804363009 804957644 /nfs/dbraw/zinc/95/76/44/804957644.db2.gz BPJNWNYPHIXOEY-UWVGGRQHSA-N 1 0 326.194 2.321 10 5 EEBERO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000793608076 810431311 /nfs/dbraw/zinc/43/13/11/810431311.db2.gz HPBNMLIFDBHCHU-FZMZJTMJSA-N 1 0 330.812 2.496 10 5 EEBERO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001451213238 1096005545 /nfs/dbraw/zinc/00/55/45/1096005545.db2.gz ZDIDZKAJBBWTSY-UHFFFAOYSA-N 1 0 329.360 2.194 10 5 EEBERO COCC1(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001480203410 1099807627 /nfs/dbraw/zinc/80/76/27/1099807627.db2.gz LOPGAONWQPIIFK-GASCZTMLSA-N 1 0 347.415 2.148 10 5 EEBERO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001450260228 1105335387 /nfs/dbraw/zinc/33/53/87/1105335387.db2.gz ISSMSSMAZFYCBL-GWCFXTLKSA-N 1 0 325.796 2.342 10 5 EEBERO CCOC(=O)c1ccnc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1[N+](=O)[O-] ZINC001458454380 1109875795 /nfs/dbraw/zinc/87/57/95/1109875795.db2.gz PDOLLQFLQYVELC-RYUDHWBXSA-N 1 0 336.392 2.307 10 5 EEBERO CC(C)c1n[nH]c(C(=O)NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001471261799 1110519900 /nfs/dbraw/zinc/51/99/00/1110519900.db2.gz IFQLJEFIAYLUEL-UHFFFAOYSA-N 1 0 337.424 2.434 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3c[nH+]cn3c2)n1 ZINC001472802042 1110563388 /nfs/dbraw/zinc/56/33/88/1110563388.db2.gz LAFNCMRDFPDTJM-UHFFFAOYSA-N 1 0 327.300 2.036 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[NH2+]2)c1 ZINC001472906528 1110565754 /nfs/dbraw/zinc/56/57/54/1110565754.db2.gz NIXZJFPBYVXDMZ-CYBMUJFWSA-N 1 0 346.362 2.158 10 5 EEBERO Cc1cc(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)[nH]n1 ZINC001501921238 1113524672 /nfs/dbraw/zinc/52/46/72/1113524672.db2.gz RSWQGDJPOJBLLW-UHFFFAOYSA-N 1 0 343.387 2.069 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)nc1 ZINC001568828138 1124845650 /nfs/dbraw/zinc/84/56/50/1124845650.db2.gz UXGKJLUSAONSLU-ARJAWSKDSA-N 1 0 344.346 2.205 10 5 EEBERO CC[NH2+][C@@](C)(COc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O ZINC000050440670 214057427 /nfs/dbraw/zinc/05/74/27/214057427.db2.gz UMEXTKYPHCURQT-LBPRGKRZSA-N 1 0 336.175 2.134 10 5 EEBERO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000054131640 214217916 /nfs/dbraw/zinc/21/79/16/214217916.db2.gz SSLRRGCZRQBGHP-UHFFFAOYSA-N 1 0 330.182 2.039 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000183327650 235010285 /nfs/dbraw/zinc/01/02/85/235010285.db2.gz YTATZAQRLFIOSX-MRXNPFEDSA-N 1 0 333.432 2.447 10 5 EEBERO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H]1[NH3+] ZINC000070145931 215677740 /nfs/dbraw/zinc/67/77/40/215677740.db2.gz DHFHWFNZXZGWQA-PELKAZGASA-N 1 0 342.193 2.167 10 5 EEBERO CC[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000451253857 243049433 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326.372 2.022 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000131535584 292389197 /nfs/dbraw/zinc/38/91/97/292389197.db2.gz QQLACQAQWORABC-UHFFFAOYSA-N 1 0 333.388 2.025 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000245443678 160236025 /nfs/dbraw/zinc/23/60/25/160236025.db2.gz XKBPXFAHIQCNRF-HOCLYGCPSA-N 1 0 346.431 2.400 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000245481445 160239038 /nfs/dbraw/zinc/23/90/38/160239038.db2.gz YJBAQKVTCCDJHU-AWEZNQCLSA-N 1 0 337.420 2.146 10 5 EEBERO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000246306912 160273011 /nfs/dbraw/zinc/27/30/11/160273011.db2.gz QIJBHLGBRZQLNE-RHSMWYFYSA-N 1 0 342.399 2.457 10 5 EEBERO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338873926 160808296 /nfs/dbraw/zinc/80/82/96/160808296.db2.gz XZMZLZWMDYJPBA-RYUDHWBXSA-N 1 0 328.372 2.433 10 5 EEBERO CC(C)[C@](C)(CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000352905310 162339501 /nfs/dbraw/zinc/33/95/01/162339501.db2.gz BHUPCRNRGFTQHQ-AWEZNQCLSA-N 1 0 329.784 2.183 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)n1 ZINC000359099320 164058414 /nfs/dbraw/zinc/05/84/14/164058414.db2.gz VGVNFIDLFDGGJO-LLVKDONJSA-N 1 0 348.432 2.353 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000360258115 164269932 /nfs/dbraw/zinc/26/99/32/164269932.db2.gz NZJWOYBGQJPMBA-UHFFFAOYSA-N 1 0 344.371 2.334 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376028546 167247167 /nfs/dbraw/zinc/24/71/67/167247167.db2.gz KKHYIDQSOHXGQT-UHFFFAOYSA-N 1 0 346.431 2.408 10 5 EEBERO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000376300049 167299964 /nfs/dbraw/zinc/29/99/64/167299964.db2.gz CJAKMZKMVDYYFN-UHFFFAOYSA-N 1 0 339.355 2.302 10 5 EEBERO Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000261623574 274753500 /nfs/dbraw/zinc/75/35/00/274753500.db2.gz GIXDVEDXRWTTOJ-HACGYAERSA-N 1 0 333.388 2.374 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290146655 275184116 /nfs/dbraw/zinc/18/41/16/275184116.db2.gz OOIDMGJBUWLIGF-SNVBAGLBSA-N 1 0 332.809 2.163 10 5 EEBERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298927291 294618459 /nfs/dbraw/zinc/61/84/59/294618459.db2.gz GRVMOJHCDYMCRZ-INIZCTEOSA-N 1 0 327.384 2.498 10 5 EEBERO COc1cc(NCC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])cc1F ZINC000301626949 294876357 /nfs/dbraw/zinc/87/63/57/294876357.db2.gz QRAVPGGHPWVVBZ-UHFFFAOYSA-N 1 0 327.356 2.265 10 5 EEBERO C[NH+](C)C1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000330788358 311786538 /nfs/dbraw/zinc/78/65/38/311786538.db2.gz QTJZLCDOLCMMKE-UHFFFAOYSA-N 1 0 343.330 2.362 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414656501 313057913 /nfs/dbraw/zinc/05/79/13/313057913.db2.gz NBNOIDGEBWNZEO-QYJAPNMZSA-N 1 0 334.376 2.350 10 5 EEBERO Cc1cc(NC[C@@H]2CCN(C)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425268243 314369212 /nfs/dbraw/zinc/36/92/12/314369212.db2.gz ONIMMIIKRRUDLV-GFCCVEGCSA-N 1 0 328.372 2.154 10 5 EEBERO COc1ccc(OCCN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000441380306 315183609 /nfs/dbraw/zinc/18/36/09/315183609.db2.gz FREJESIIDPDOSP-CQSZACIVSA-N 1 0 335.404 2.151 10 5 EEBERO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531624144 317808954 /nfs/dbraw/zinc/80/89/54/317808954.db2.gz HEUZFLHDKPQFHH-KBPBESRZSA-N 1 0 334.420 2.478 10 5 EEBERO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000532143665 317844802 /nfs/dbraw/zinc/84/48/02/317844802.db2.gz UJWJHZPMEZFTAO-HNNXBMFYSA-N 1 0 344.371 2.458 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000564239659 319074406 /nfs/dbraw/zinc/07/44/06/319074406.db2.gz KNWVTJKOACVRFK-UHFFFAOYSA-N 1 0 335.404 2.152 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153616666 462669915 /nfs/dbraw/zinc/66/99/15/462669915.db2.gz JZJGRQUYPDPYAV-CXAGYDPISA-N 1 0 344.415 2.387 10 5 EEBERO CC(C)[C@@](C)([NH3+])CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000075612238 462739782 /nfs/dbraw/zinc/73/97/82/462739782.db2.gz FTYUXUNSHCBPSM-KRWDZBQOSA-N 1 0 345.403 2.345 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000047142986 462748423 /nfs/dbraw/zinc/74/84/23/462748423.db2.gz VBJXZWWUTJYTOP-CQSZACIVSA-N 1 0 334.420 2.387 10 5 EEBERO C[NH+](C)[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000120857833 463047413 /nfs/dbraw/zinc/04/74/13/463047413.db2.gz SZMOSAAJJJBKID-MRXNPFEDSA-N 1 0 334.420 2.263 10 5 EEBERO Cc1ccc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000105800840 463466789 /nfs/dbraw/zinc/46/67/89/463466789.db2.gz FKGSTNMXSOGJPA-UHFFFAOYSA-N 1 0 327.388 2.406 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105924173 463499237 /nfs/dbraw/zinc/49/92/37/463499237.db2.gz GQPLHCXGMOMZNO-INIZCTEOSA-N 1 0 337.420 2.144 10 5 EEBERO COC(=O)c1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)cc(C)c1[N+](=O)[O-] ZINC000268464038 463754222 /nfs/dbraw/zinc/75/42/22/463754222.db2.gz FZVLPIFVZWFSLK-CYBMUJFWSA-N 1 0 335.404 2.468 10 5 EEBERO COCC[NH+]1CCC(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185443896 463825287 /nfs/dbraw/zinc/82/52/87/463825287.db2.gz FNXPZCZGDBUXGN-BUHFOSPRSA-N 1 0 347.415 2.225 10 5 EEBERO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)CC1 ZINC000283551679 463923270 /nfs/dbraw/zinc/92/32/70/463923270.db2.gz PWYWHQBQVZUKKA-UHFFFAOYSA-N 1 0 344.419 2.357 10 5 EEBERO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000178580189 463924515 /nfs/dbraw/zinc/92/45/15/463924515.db2.gz DTZOUGQDDLRQOC-CJNGLKHVSA-N 1 0 346.387 2.274 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173275930 464228639 /nfs/dbraw/zinc/22/86/39/464228639.db2.gz JVMDTQALXWTJIQ-OLZOCXBDSA-N 1 0 341.433 2.006 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000284770829 464333613 /nfs/dbraw/zinc/33/36/13/464333613.db2.gz MPMFKERZRHURPR-CQSZACIVSA-N 1 0 335.404 2.354 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1[N+](=O)[O-] ZINC000180589865 464343480 /nfs/dbraw/zinc/34/34/80/464343480.db2.gz YWSYZZBFHVZWSQ-WCQYABFASA-N 1 0 331.376 2.251 10 5 EEBERO CC[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000245841520 464517854 /nfs/dbraw/zinc/51/78/54/464517854.db2.gz CPJUSTQJPJBHEW-BBWFWOEESA-N 1 0 338.404 2.192 10 5 EEBERO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1C ZINC000253354100 464992237 /nfs/dbraw/zinc/99/22/37/464992237.db2.gz ZMHCGXSKEQEUNC-RISCZKNCSA-N 1 0 335.404 2.370 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000593918201 468432691 /nfs/dbraw/zinc/43/26/91/468432691.db2.gz CFNYYZVLFXZKGX-BMFZPTHFSA-N 1 0 333.388 2.096 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356647 465518579 /nfs/dbraw/zinc/51/85/79/465518579.db2.gz MXRGHUGSKNXQPW-CQSZACIVSA-N 1 0 330.388 2.666 10 5 EEBERO Cc1c(NC(=O)NC/C=C/C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000591303999 468444272 /nfs/dbraw/zinc/44/42/72/468444272.db2.gz JFXIBRQNNFPWNL-NSCUHMNNSA-N 1 0 343.181 2.302 10 5 EEBERO CC(C)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCOC1 ZINC000361402265 465964121 /nfs/dbraw/zinc/96/41/21/465964121.db2.gz HUGLLOVPWZGXCZ-AWEZNQCLSA-N 1 0 349.387 2.392 10 5 EEBERO C[C@H](NC(=O)N[C@H]1CCc2[nH]cnc2C1)c1ccccc1[N+](=O)[O-] ZINC000357933163 466328472 /nfs/dbraw/zinc/32/84/72/466328472.db2.gz ISSJNEUDWBBUBR-QWRGUYRKSA-N 1 0 329.360 2.236 10 5 EEBERO O=[N+]([O-])c1cnccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000340897393 466417868 /nfs/dbraw/zinc/41/78/68/466417868.db2.gz HAQKEAIPWAIQIF-INIZCTEOSA-N 1 0 342.399 2.115 10 5 EEBERO CC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373804565 466924998 /nfs/dbraw/zinc/92/49/98/466924998.db2.gz JNFBNKGCDKVCCH-DOTOQJQBSA-N 1 0 336.388 2.244 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371018971 467072053 /nfs/dbraw/zinc/07/20/53/467072053.db2.gz PFCWEQORWQUQEI-GJZGRUSLSA-N 1 0 346.431 2.387 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378218490 467232412 /nfs/dbraw/zinc/23/24/12/467232412.db2.gz BKURCRYIYPLFSO-CABCVRRESA-N 1 0 347.415 2.354 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378237357 467238184 /nfs/dbraw/zinc/23/81/84/467238184.db2.gz YTEXRNCWQWGAME-BBRMVZONSA-N 1 0 346.431 2.265 10 5 EEBERO COC[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000452109732 467325235 /nfs/dbraw/zinc/32/52/35/467325235.db2.gz XBWLZZCQIUPXMX-CQSZACIVSA-N 1 0 347.415 2.232 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000589499662 468156643 /nfs/dbraw/zinc/15/66/43/468156643.db2.gz WFPWDLXFMIGNRL-OAHLLOKOSA-N 1 0 335.404 2.344 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000589503236 468158190 /nfs/dbraw/zinc/15/81/90/468158190.db2.gz LDARWBYHDIAMNB-KGLIPLIRSA-N 1 0 334.372 2.240 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000589509592 468158294 /nfs/dbraw/zinc/15/82/94/468158294.db2.gz PESXWBHCCSOGTQ-BBRMVZONSA-N 1 0 336.388 2.364 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000520380726 468246438 /nfs/dbraw/zinc/24/64/38/468246438.db2.gz IWLUSLJUPUAAML-UHFFFAOYSA-N 1 0 334.420 2.491 10 5 EEBERO CC1(C)CN(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000594310668 468548813 /nfs/dbraw/zinc/54/88/13/468548813.db2.gz RXRXFIRDSXCDFL-UHFFFAOYSA-N 1 0 347.415 2.306 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000600411644 468549928 /nfs/dbraw/zinc/54/99/28/468549928.db2.gz SDDTWPUZMDWDMC-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NC[C@H](O)C[NH+]1CCCCC1)CCCC2 ZINC000591896735 468554059 /nfs/dbraw/zinc/55/40/59/468554059.db2.gz QLVSHJKMKHWSEZ-AWEZNQCLSA-N 1 0 334.420 2.127 10 5 EEBERO C[NH+]1CCC2(CC1)CN(c1nc3ccccc3cc1[N+](=O)[O-])CCO2 ZINC000591991646 468592198 /nfs/dbraw/zinc/59/21/98/468592198.db2.gz KLQSBFKOOZQHTB-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(CO)OC ZINC000594510817 468612675 /nfs/dbraw/zinc/61/26/75/468612675.db2.gz LGTZLGOIKMPGGX-WFASDCNBSA-N 1 0 328.434 2.453 10 5 EEBERO C[NH+](C)[C@H]1C[C@@H](CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000594591220 468629932 /nfs/dbraw/zinc/62/99/32/468629932.db2.gz IEAMXQLRABMGCR-IYBDPMFKSA-N 1 0 348.447 2.179 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592253957 468665339 /nfs/dbraw/zinc/66/53/39/468665339.db2.gz RQXVXOPCZNEGDZ-UONOGXRCSA-N 1 0 332.404 2.150 10 5 EEBERO COCC[NH2+]C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000570810656 468696556 /nfs/dbraw/zinc/69/65/56/468696556.db2.gz WRYHSFPRNSPJBY-UHFFFAOYSA-N 1 0 341.795 2.089 10 5 EEBERO C[C@@H]1C[C@H](N(C)c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1C ZINC000601119692 468749195 /nfs/dbraw/zinc/74/91/95/468749195.db2.gz VPGXXZXOMFFWQJ-RKDXNWHRSA-N 1 0 335.330 2.266 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335429 468830274 /nfs/dbraw/zinc/83/02/74/468830274.db2.gz UIKGCZKRSKOWBM-RHSMWYFYSA-N 1 0 346.431 2.306 10 5 EEBERO COCC[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593101678 468871437 /nfs/dbraw/zinc/87/14/37/468871437.db2.gz RHUQQJMVMRHJPQ-UHFFFAOYSA-N 1 0 337.420 2.016 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000595905876 469075203 /nfs/dbraw/zinc/07/52/03/469075203.db2.gz IBCOROVCCBLVKF-CYBMUJFWSA-N 1 0 325.384 2.277 10 5 EEBERO CC(C)(C)CC[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587405724 469088017 /nfs/dbraw/zinc/08/80/17/469088017.db2.gz WPOWJPPUFJQDDU-UHFFFAOYSA-N 1 0 336.436 2.228 10 5 EEBERO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000599072273 469107118 /nfs/dbraw/zinc/10/71/18/469107118.db2.gz IDWBQOKPIYEAEL-CYBMUJFWSA-N 1 0 344.415 2.424 10 5 EEBERO NC(=O)N1CCC[C@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599084336 469111112 /nfs/dbraw/zinc/11/11/12/469111112.db2.gz AUJYFOQDPSLGAX-LLVKDONJSA-N 1 0 329.360 2.346 10 5 EEBERO CO[C@H]1C[C@@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599089833 469114373 /nfs/dbraw/zinc/11/43/73/469114373.db2.gz BDBHHSRJZKVIKM-MAZHCROVSA-N 1 0 330.388 2.432 10 5 EEBERO Cc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000596070992 469140451 /nfs/dbraw/zinc/14/04/51/469140451.db2.gz VDMFGTYDEYGOST-PBHICJAKSA-N 1 0 330.388 2.128 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988856 469209339 /nfs/dbraw/zinc/20/93/39/469209339.db2.gz ZKHGXLPGBQPFRL-CMPLNLGQSA-N 1 0 334.294 2.206 10 5 EEBERO COC(=O)C(C)(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000611404608 469242073 /nfs/dbraw/zinc/24/20/73/469242073.db2.gz ICFCIPZVEFDZFH-HNNXBMFYSA-N 1 0 346.387 2.321 10 5 EEBERO O=[N+]([O-])c1ncccc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596425535 469262618 /nfs/dbraw/zinc/26/26/18/469262618.db2.gz ZWNSCJSVUXUZQM-OAHLLOKOSA-N 1 0 328.372 2.169 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000596497320 469284509 /nfs/dbraw/zinc/28/45/09/469284509.db2.gz OSAJUGWPEJWRCS-HNNXBMFYSA-N 1 0 336.392 2.169 10 5 EEBERO COc1ccc([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1F ZINC000599681132 469336289 /nfs/dbraw/zinc/33/62/89/469336289.db2.gz WHQQRYKITHSDHB-CYBMUJFWSA-N 1 0 334.351 2.429 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000612611560 469507918 /nfs/dbraw/zinc/50/79/18/469507918.db2.gz OJEFVZYUOYJTBS-UHFFFAOYSA-N 1 0 336.327 2.136 10 5 EEBERO CNS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000610340899 470005769 /nfs/dbraw/zinc/00/57/69/470005769.db2.gz 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2.318 10 5 EEBERO CCn1nccc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001670075461 1356271736 /nfs/dbraw/zinc/27/17/36/1356271736.db2.gz GQJXAVDABBXRQK-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CC(C)(C)C(=O)N1CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001674107633 1356787402 /nfs/dbraw/zinc/78/74/02/1356787402.db2.gz REYPUHXIQWTHHN-UHFFFAOYSA-N 1 0 349.431 2.084 10 5 EEBERO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1C(C)(C)C ZINC000912033640 787903002 /nfs/dbraw/zinc/90/30/02/787903002.db2.gz QCNJTUNVXBIMJS-CQSZACIVSA-N 1 0 338.383 2.118 10 5 EEBERO Nc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000823997691 788012985 /nfs/dbraw/zinc/01/29/85/788012985.db2.gz GQQNNSHIYYGDIH-CYBMUJFWSA-N 1 0 333.392 2.269 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912883563 788461582 /nfs/dbraw/zinc/46/15/82/788461582.db2.gz IFHKWUSWWFQAJC-UHFFFAOYSA-N 1 0 346.431 2.484 10 5 EEBERO C[NH+]1C[C@]2(C)CN(C(=O)CCNc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 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334.376 2.377 10 5 EEBERO C[NH+](C)CCCNC(=S)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000809166416 812990417 /nfs/dbraw/zinc/99/04/17/812990417.db2.gz AZMZQQHNPDMXJY-UHFFFAOYSA-N 1 0 349.460 2.034 10 5 EEBERO Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(Cl)c1 ZINC001566453957 1125613843 /nfs/dbraw/zinc/61/38/43/1125613843.db2.gz UXGADSLIKYYBNA-UKRRQHHQSA-N 1 0 339.823 2.252 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001480201930 1099803186 /nfs/dbraw/zinc/80/31/86/1099803186.db2.gz YMYXOFIDJMLGJM-QVOOOWOGSA-N 1 0 340.383 2.373 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC001497640942 1102798467 /nfs/dbraw/zinc/79/84/67/1102798467.db2.gz UIZIVYHTSZYWSL-OWOJBTEDSA-N 1 0 332.335 2.138 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC001460836488 1110325591 /nfs/dbraw/zinc/32/55/91/1110325591.db2.gz SZUAYMREJRUPNO-HNNXBMFYSA-N 1 0 349.387 2.233 10 5 EEBERO CCOC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC001460862471 1110326864 /nfs/dbraw/zinc/32/68/64/1110326864.db2.gz WPOAYHCMAYEFKJ-CYBMUJFWSA-N 1 0 349.387 2.117 10 5 EEBERO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C1CCCC1 ZINC001522162339 1119334405 /nfs/dbraw/zinc/33/44/05/1119334405.db2.gz WGDHDHHTWZRSPU-GFCCVEGCSA-N 1 0 332.404 2.266 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001542378001 1124112869 /nfs/dbraw/zinc/11/28/69/1124112869.db2.gz ULEWKOJZXULNSU-UHFFFAOYSA-N 1 0 341.795 2.043 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000175010976 529405496 /nfs/dbraw/zinc/40/54/96/529405496.db2.gz QIRJNKAHLCOIQG-ZIAGYGMSSA-N 1 0 333.388 2.059 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000041911903 213470319 /nfs/dbraw/zinc/47/03/19/213470319.db2.gz JCMKDEIPTYVIJV-SNVBAGLBSA-N 1 0 338.364 2.272 10 5 EEBERO CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000675056880 539984459 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2.093 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H](C)O)C(C)C ZINC000107042434 159326684 /nfs/dbraw/zinc/32/66/84/159326684.db2.gz ITSNXERIPVKDCZ-GFCCVEGCSA-N 1 0 339.392 2.023 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3ccccc3[C@H]2O)c([N+](=O)[O-])c1 ZINC000194443326 160194275 /nfs/dbraw/zinc/19/42/75/160194275.db2.gz SHHBSFTXBMTDIZ-GOEBONIOSA-N 1 0 329.312 2.251 10 5 EEBERO Cn1nccc1C1=CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000352559702 162187508 /nfs/dbraw/zinc/18/75/08/162187508.db2.gz DBEBDTJHLOABIO-UHFFFAOYSA-N 1 0 338.371 2.494 10 5 EEBERO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000280047032 269324179 /nfs/dbraw/zinc/32/41/79/269324179.db2.gz ZYVCYFKWSMYCFB-AOOOYVTPSA-N 1 0 343.786 2.481 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000418994075 274368808 /nfs/dbraw/zinc/36/88/08/274368808.db2.gz HJEZHJXJNZHPFL-CHWSQXEVSA-N 1 0 330.388 2.034 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000264466572 279787097 /nfs/dbraw/zinc/78/70/97/279787097.db2.gz UERVHZHYLJLBQG-HNNXBMFYSA-N 1 0 347.415 2.451 10 5 EEBERO CC[C@H]1C[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000453577518 281228602 /nfs/dbraw/zinc/22/86/02/281228602.db2.gz OUEYXJCIWRLCAC-GJZGRUSLSA-N 1 0 334.420 2.317 10 5 EEBERO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296908471 294099548 /nfs/dbraw/zinc/09/95/48/294099548.db2.gz ZWKCQNPAIFHSPV-LBPRGKRZSA-N 1 0 345.403 2.161 10 5 EEBERO COc1cccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000194749243 295288044 /nfs/dbraw/zinc/28/80/44/295288044.db2.gz HNBKFBJGOJSFJY-UHFFFAOYSA-N 1 0 335.404 2.454 10 5 EEBERO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000563760937 319042143 /nfs/dbraw/zinc/04/21/43/319042143.db2.gz CFSRZZNYPCAAJK-ZDUSSCGKSA-N 1 0 343.811 2.071 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000564099751 319067069 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330.388 2.036 10 5 EEBERO CNC(=O)c1ccc(N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000601216309 468785070 /nfs/dbraw/zinc/78/50/70/468785070.db2.gz OXNIUOFDACNOMR-UHFFFAOYSA-N 1 0 346.431 2.409 10 5 EEBERO [NH3+][C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595260546 468796449 /nfs/dbraw/zinc/79/64/49/468796449.db2.gz CEHXMKRIVPYEOB-NXEZZACHSA-N 1 0 347.799 2.238 10 5 EEBERO Cn1ccnc1[C@@H](NCC[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298472 468816253 /nfs/dbraw/zinc/81/62/53/468816253.db2.gz IQAGYTZHVBUSSS-OLZOCXBDSA-N 1 0 340.330 2.023 10 5 EEBERO Cn1ccnc1[C@@H](NCC[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601298474 468816353 /nfs/dbraw/zinc/81/63/53/468816353.db2.gz IQAGYTZHVBUSSS-STQMWFEESA-N 1 0 340.330 2.023 10 5 EEBERO COc1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)cc1[N+](=O)[O-] ZINC000593076861 468861888 /nfs/dbraw/zinc/86/18/88/468861888.db2.gz UIDFKPFKXMEPAV-UHFFFAOYSA-N 1 0 331.376 2.107 10 5 EEBERO COCC[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000593100224 468872359 /nfs/dbraw/zinc/87/23/59/468872359.db2.gz FSWCKSGFEJOJQE-UHFFFAOYSA-N 1 0 343.374 2.416 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000598539126 468905968 /nfs/dbraw/zinc/90/59/68/468905968.db2.gz FPKYPKHNHZDANZ-OAHLLOKOSA-N 1 0 349.431 2.394 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000595630756 468930591 /nfs/dbraw/zinc/93/05/91/468930591.db2.gz BXLIGMFAZRKGCK-RRFJBIMHSA-N 1 0 338.404 2.129 10 5 EEBERO CC1([NH+]2CCCC2)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000601739198 468997205 /nfs/dbraw/zinc/99/72/05/468997205.db2.gz NTVGDUJIXRUDNC-UHFFFAOYSA-N 1 0 346.431 2.484 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000595905882 469075429 /nfs/dbraw/zinc/07/54/29/469075429.db2.gz IDRAKHHVYBREGG-OAHLLOKOSA-N 1 0 337.420 2.016 10 5 EEBERO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc(N)c([N+](=O)[O-])c(CO)c2)C1 ZINC000587268100 469088180 /nfs/dbraw/zinc/08/81/80/469088180.db2.gz 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CC1([NH+]2CCOCC2)CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000599621441 469313036 /nfs/dbraw/zinc/31/30/36/469313036.db2.gz BLXMREVGGKVMGH-UHFFFAOYSA-N 1 0 337.395 2.421 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595634998 485608339 /nfs/dbraw/zinc/60/83/39/485608339.db2.gz SJRSPPUNBDUCOE-GHJWDPDVSA-N 1 0 348.403 2.127 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000174115713 528967060 /nfs/dbraw/zinc/96/70/60/528967060.db2.gz VSTPKCWHRVGHBY-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000175166554 529070286 /nfs/dbraw/zinc/07/02/86/529070286.db2.gz MYMTZJPJWNOQJH-OAHLLOKOSA-N 1 0 346.431 2.408 10 5 EEBERO C/C(=C\C(=O)NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752393716 577770228 /nfs/dbraw/zinc/77/02/28/577770228.db2.gz RUVMPVYCGKOPBY-WYMLVPIESA-N 1 0 347.415 2.225 10 5 EEBERO CC(C)[C@@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000755918191 577834236 /nfs/dbraw/zinc/83/42/36/577834236.db2.gz BGODZYNKXZTAKX-CYBMUJFWSA-N 1 0 346.387 2.299 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000757666935 577862156 /nfs/dbraw/zinc/86/21/56/577862156.db2.gz SZZDYOBTEAMBEL-UHFFFAOYSA-N 1 0 345.403 2.145 10 5 EEBERO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(N2CCCC2=O)cc1 ZINC000181341585 682245246 /nfs/dbraw/zinc/24/52/46/682245246.db2.gz WQYMTGHAJZEUJA-ZDUSSCGKSA-N 1 0 343.387 2.269 10 5 EEBERO C[C@@H]1[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928443066 683171181 /nfs/dbraw/zinc/17/11/81/683171181.db2.gz SLWMJPVDBXTHMO-PRHODGIISA-N 1 0 329.759 2.139 10 5 EEBERO CCc1n[nH]c(C(=O)N2[C@@H](C)CCC[C@H]2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000914443355 683784698 /nfs/dbraw/zinc/78/46/98/683784698.db2.gz MMODMGJGJKLZTC-RYUDHWBXSA-N 1 0 337.424 2.215 10 5 EEBERO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930582894 684097863 /nfs/dbraw/zinc/09/78/63/684097863.db2.gz KUBWYHHHQZEPJM-ZIAGYGMSSA-N 1 0 327.425 2.375 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000895278213 684431868 /nfs/dbraw/zinc/43/18/68/684431868.db2.gz QLHRKRWTNVTDJW-GFCCVEGCSA-N 1 0 341.371 2.044 10 5 EEBERO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899988139 693954764 /nfs/dbraw/zinc/95/47/64/693954764.db2.gz YSDLEULSXMHERT-CZUORRHYSA-N 1 0 332.404 2.140 10 5 EEBERO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000722243090 693317095 /nfs/dbraw/zinc/31/70/95/693317095.db2.gz FZFDZRNKOSGANC-SKDRFNHKSA-N 1 0 328.210 2.397 10 5 EEBERO CCCn1cc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001266332063 1176314775 /nfs/dbraw/zinc/31/47/75/1176314775.db2.gz ATZCOOSSCPJZQA-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC001691044866 1177011138 /nfs/dbraw/zinc/01/11/38/1177011138.db2.gz KAQHPAQHMNAVCX-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1ccsc1 ZINC001267343429 1178794537 /nfs/dbraw/zinc/79/45/37/1178794537.db2.gz VZABZAFJEYRLRN-UHFFFAOYSA-N 1 0 333.413 2.447 10 5 EEBERO CC[N@H+](CCNC(=O)c1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480965285 1179389347 /nfs/dbraw/zinc/38/93/47/1179389347.db2.gz JGOUZVGKTNSSNK-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccoc1 ZINC001481220302 1180336588 /nfs/dbraw/zinc/33/65/88/1180336588.db2.gz OQRBEJITHONBNT-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO O=C(Cc1ccoc1)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001691494580 1181475480 /nfs/dbraw/zinc/47/54/80/1181475480.db2.gz DYYXXPJKENQANM-WKILWMFISA-N 1 0 343.383 2.415 10 5 EEBERO COC(=O)c1ccc(-c2ccc([C@@H]3[NH2+]CC[C@@H]3O)cc2)c([N+](=O)[O-])c1 ZINC000863716544 1197831498 /nfs/dbraw/zinc/83/14/98/1197831498.db2.gz WIJTZPWXKOGRRF-IRXDYDNUSA-N 1 0 342.351 2.444 10 5 EEBERO COC1CC[NH+](CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872043552 1198033729 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CC(=O)c1c([N+](=O)[O-])cccc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000882446612 1201872827 /nfs/dbraw/zinc/87/28/27/1201872827.db2.gz FQHGMFLVXQWOQT-UHFFFAOYSA-N 1 0 347.415 2.489 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000887929027 1204510289 /nfs/dbraw/zinc/51/02/89/1204510289.db2.gz GCXBRNHAFKMRKS-DOMZBBRYSA-N 1 0 339.342 2.097 10 5 EEBERO CNC(=O)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000796609613 1221660824 /nfs/dbraw/zinc/66/08/24/1221660824.db2.gz BVBMHMOKSKXMMX-SJORKVTESA-N 1 0 343.383 2.095 10 5 EEBERO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000133372969 1248950250 /nfs/dbraw/zinc/95/02/50/1248950250.db2.gz XKBHTZQACACFTO-KBPBESRZSA-N 1 0 344.371 2.491 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000826773174 1248057768 /nfs/dbraw/zinc/05/77/68/1248057768.db2.gz PJGYOUYLWCGHTD-UHFFFAOYSA-N 1 0 339.367 2.044 10 5 EEBERO Cn1nnc2c1C[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000927142060 1297034358 /nfs/dbraw/zinc/03/43/58/1297034358.db2.gz CCSKJDYSJRHJMK-WFASDCNBSA-N 1 0 327.388 2.248 10 5 EEBERO CCc1cccc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001492284975 1331138017 /nfs/dbraw/zinc/13/80/17/1331138017.db2.gz QULJOIFNADUQHX-UHFFFAOYSA-N 1 0 342.399 2.414 10 5 EEBERO O=C(CCC(F)F)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001317212436 1332138223 /nfs/dbraw/zinc/13/82/23/1332138223.db2.gz QLXLCFHGGFFTGQ-VIKVFOODSA-N 1 0 339.342 2.187 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2NC)CC1 ZINC001320975960 1332990945 /nfs/dbraw/zinc/99/09/45/1332990945.db2.gz OKTLBDOTZMYCFA-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO CC(C)c1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001321056281 1333007392 /nfs/dbraw/zinc/00/73/92/1333007392.db2.gz DIFOPQLPMSGUCK-MULDZMIYSA-N 1 0 331.416 2.237 10 5 EEBERO Nc1c(Cl)cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001617000950 1352334724 /nfs/dbraw/zinc/33/47/24/1352334724.db2.gz NAXXLIBDOXEMJK-LLVKDONJSA-N 1 0 338.795 2.045 10 5 EEBERO CN(CC(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1[N+](=O)[O-] ZINC001597734823 1349930640 /nfs/dbraw/zinc/93/06/40/1349930640.db2.gz LHFDCGNMTSZJPZ-UHFFFAOYSA-N 1 0 346.431 2.118 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001623317617 1352394461 /nfs/dbraw/zinc/39/44/61/1352394461.db2.gz XFRHHDIUFDRFSM-ZFWWWQNUSA-N 1 0 349.435 2.075 10 5 EEBERO C[N@@H+]1C[C@@]23CN(C[C@H](O)c4cccc([N+](=O)[O-])c4)C[C@]2(C1)CCCC3 ZINC001660700423 1354520245 /nfs/dbraw/zinc/52/02/45/1354520245.db2.gz JEIRSSRSDQMWEB-GBESFXJTSA-N 1 0 345.443 2.436 10 5 EEBERO O=C(NCCC1CC[NH+](CC2=CCCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001666364301 1355518282 /nfs/dbraw/zinc/51/82/82/1355518282.db2.gz MLPJYGMOEVOUQL-IAGOWNOFSA-N 1 0 335.448 2.370 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc(F)c1 ZINC001668377332 1355931748 /nfs/dbraw/zinc/93/17/48/1355931748.db2.gz OQVSNZBLYLVWPI-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO O=C(CC(F)(F)F)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001668730650 1355994110 /nfs/dbraw/zinc/99/41/10/1355994110.db2.gz CBIPMFGZLSPZSS-ARJAWSKDSA-N 1 0 331.294 2.309 10 5 EEBERO CC(C)[NH+]1CCC(C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001688340813 1358922624 /nfs/dbraw/zinc/92/26/24/1358922624.db2.gz CYCWPHMPENVKRK-UHFFFAOYSA-N 1 0 348.447 2.268 10 5 EEBERO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCCCCF)C2)CC1 ZINC001698735693 1405033715 /nfs/dbraw/zinc/03/37/15/1405033715.db2.gz LIHXNWMQDSAVOT-HUUCEWRRSA-N 1 0 341.427 2.106 10 5 EEBERO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000817992378 785142912 /nfs/dbraw/zinc/14/29/12/785142912.db2.gz UFJXSMUNUPDDQN-BBRMVZONSA-N 1 0 346.431 2.393 10 5 EEBERO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCn2ccnc21 ZINC000824526371 788201880 /nfs/dbraw/zinc/20/18/80/788201880.db2.gz KHBSAWCFFLLDQG-FZMZJTMJSA-N 1 0 329.360 2.243 10 5 EEBERO CNc1ccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000913292614 788769545 /nfs/dbraw/zinc/76/95/45/788769545.db2.gz BFEVEZOJYVJZFK-IRXDYDNUSA-N 1 0 332.404 2.050 10 5 EEBERO C[N@H+](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000913385770 788833436 /nfs/dbraw/zinc/83/34/36/788833436.db2.gz IUQVQGQKBUONBK-UHFFFAOYSA-N 1 0 329.759 2.488 10 5 EEBERO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923535811 789746831 /nfs/dbraw/zinc/74/68/31/789746831.db2.gz CHDYEVSVRWZYNB-SUMWQHHRSA-N 1 0 332.404 2.140 10 5 EEBERO CNc1nccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001148455213 792437531 /nfs/dbraw/zinc/43/75/31/792437531.db2.gz OJGXJULOKXOLOD-ZDUSSCGKSA-N 1 0 347.419 2.026 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001444323399 1098886643 /nfs/dbraw/zinc/88/66/43/1098886643.db2.gz HPJJSERZSCWGNM-CYBMUJFWSA-N 1 0 332.404 2.268 10 5 EEBERO C[C@H]([NH2+][C@@H]1CCCn2nccc21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460686891 1110320837 /nfs/dbraw/zinc/32/08/37/1110320837.db2.gz SHYNDWUVBNEIDN-NWDGAFQWSA-N 1 0 329.360 2.243 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1C[NH+]2CCC1CC2 ZINC001472900787 1110565444 /nfs/dbraw/zinc/56/54/44/1110565444.db2.gz YKUWMLMTCJDZHY-SECBINFHSA-N 1 0 333.314 2.101 10 5 EEBERO CC(C)=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001501193753 1113236343 /nfs/dbraw/zinc/23/63/43/1113236343.db2.gz OYVBQBFHSSLATI-IAGOWNOFSA-N 1 0 331.416 2.236 10 5 EEBERO O=C(NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CF)CCC1 ZINC001568922503 1124950421 /nfs/dbraw/zinc/95/04/21/1124950421.db2.gz XRMOYQQMJYINID-OWOJBTEDSA-N 1 0 335.379 2.497 10 5 EEBERO CN(c1ncc(Br)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000053250802 214172799 /nfs/dbraw/zinc/17/27/99/214172799.db2.gz VTEJOTLPOTVSPW-JTQLQIEISA-N 1 0 329.198 2.283 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451903150 243303841 /nfs/dbraw/zinc/30/38/41/243303841.db2.gz PLAFFDQWJMTSJH-DYVFJYSZSA-N 1 0 333.388 2.424 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264923072 247049656 /nfs/dbraw/zinc/04/96/56/247049656.db2.gz QIBSLVJDOKBWRS-UHFFFAOYSA-N 1 0 334.420 2.267 10 5 EEBERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000118792210 221184108 /nfs/dbraw/zinc/18/41/08/221184108.db2.gz QPVIBUDPONXJJG-NSHDSACASA-N 1 0 342.783 2.043 10 5 EEBERO CCOc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115439490 152022463 /nfs/dbraw/zinc/02/24/63/152022463.db2.gz BRAFTRVQXRWWDL-CYBMUJFWSA-N 1 0 335.404 2.407 10 5 EEBERO COC(=O)c1cnc(NCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000357684253 153286009 /nfs/dbraw/zinc/28/60/09/153286009.db2.gz OYPUECDDECDNTN-VXGBXAGGSA-N 1 0 336.392 2.451 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+]2CCC1CC2 ZINC000188672133 160126982 /nfs/dbraw/zinc/12/69/82/160126982.db2.gz WVRDKVFUYVYCSA-UHFFFAOYSA-N 1 0 341.314 2.116 10 5 EEBERO COc1ccc(OCCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000247233824 160316174 /nfs/dbraw/zinc/31/61/74/160316174.db2.gz DHFMPAHDVDJCMY-KBPBESRZSA-N 1 0 335.404 2.151 10 5 EEBERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248130105 160338746 /nfs/dbraw/zinc/33/87/46/160338746.db2.gz OIVCSOYKZCRMDE-IAQYHMDHSA-N 1 0 348.359 2.059 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351799434 161930290 /nfs/dbraw/zinc/93/02/90/161930290.db2.gz SMJVZLBKHLNWIN-GFCCVEGCSA-N 1 0 343.449 2.220 10 5 EEBERO COc1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000352544967 162179923 /nfs/dbraw/zinc/17/99/23/162179923.db2.gz FGNYAXWAOQHRHU-OAHLLOKOSA-N 1 0 336.388 2.373 10 5 EEBERO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359039042 164042841 /nfs/dbraw/zinc/04/28/41/164042841.db2.gz IERKWPANOABHQI-SECBINFHSA-N 1 0 331.319 2.266 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)n1 ZINC000359099321 164058906 /nfs/dbraw/zinc/05/89/06/164058906.db2.gz VGVNFIDLFDGGJO-NSHDSACASA-N 1 0 348.432 2.353 10 5 EEBERO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000365002730 165349097 /nfs/dbraw/zinc/34/90/97/165349097.db2.gz RCCMLAHAOSLDQG-HNNXBMFYSA-N 1 0 331.416 2.470 10 5 EEBERO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000408098900 274316462 /nfs/dbraw/zinc/31/64/62/274316462.db2.gz IBSXEHKBYQUUOB-HZSPNIEDSA-N 1 0 344.419 2.479 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278467646 274360297 /nfs/dbraw/zinc/36/02/97/274360297.db2.gz JOJIDCXJUXLUCC-AWEZNQCLSA-N 1 0 335.404 2.134 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177703437 276169393 /nfs/dbraw/zinc/16/93/93/276169393.db2.gz ZAJMEYCFYFKBKL-MRXNPFEDSA-N 1 0 334.420 2.340 10 5 EEBERO C[NH+](C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)Cc1ccccc1 ZINC000301825058 294899768 /nfs/dbraw/zinc/89/97/68/294899768.db2.gz DKWJSUHCCPIXDR-CQSZACIVSA-N 1 0 340.387 2.222 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414346585 313001346 /nfs/dbraw/zinc/00/13/46/313001346.db2.gz UVICJVRNLKRTEO-RDBSUJKOSA-N 1 0 335.404 2.453 10 5 EEBERO C[NH2+]CCCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415652495 313161341 /nfs/dbraw/zinc/16/13/41/313161341.db2.gz HJIVIRZRVDSQEX-UHFFFAOYSA-N 1 0 345.197 2.397 10 5 EEBERO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1ccc([N+](=O)[O-])cc1 ZINC000507235117 316375847 /nfs/dbraw/zinc/37/58/47/316375847.db2.gz ZDTYVDOIBDGTPW-WFASDCNBSA-N 1 0 341.433 2.060 10 5 EEBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000578360364 320310236 /nfs/dbraw/zinc/31/02/36/320310236.db2.gz GLJIQGYWRPJEER-WQVCFCJDSA-N 1 0 333.388 2.011 10 5 EEBERO COC(=O)c1cc(C)nc(N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000590567638 468275240 /nfs/dbraw/zinc/27/52/40/468275240.db2.gz DREOMFARNFTXRB-UHFFFAOYSA-N 1 0 348.403 2.007 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000579025035 468298936 /nfs/dbraw/zinc/29/89/36/468298936.db2.gz VPEOFSDOZWAPSZ-CQSZACIVSA-N 1 0 335.404 2.295 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127726006 462578234 /nfs/dbraw/zinc/57/82/34/462578234.db2.gz PHBOUHBRJGYSER-NSHDSACASA-N 1 0 331.294 2.438 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000113248341 462580803 /nfs/dbraw/zinc/58/08/03/462580803.db2.gz JGBBYEADUVPEGH-WCQYABFASA-N 1 0 330.388 2.152 10 5 EEBERO C[C@H](O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128611752 462657632 /nfs/dbraw/zinc/65/76/32/462657632.db2.gz KCRZMMLWKDKCNP-NSHDSACASA-N 1 0 339.367 2.155 10 5 EEBERO CN(CCN1C(=O)c2ccccc2C1=O)Cc1csc([N+](=O)[O-])c1 ZINC000159031836 463264784 /nfs/dbraw/zinc/26/47/84/463264784.db2.gz LJWUIPYDKCEXDY-UHFFFAOYSA-N 1 0 345.380 2.384 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105924170 463498520 /nfs/dbraw/zinc/49/85/20/463498520.db2.gz GQPLHCXGMOMZNO-MRXNPFEDSA-N 1 0 337.420 2.144 10 5 EEBERO CCn1cnnc1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000105928755 463498900 /nfs/dbraw/zinc/49/89/00/463498900.db2.gz YAOYZSPKNNWYNZ-UHFFFAOYSA-N 1 0 345.403 2.465 10 5 EEBERO CCC[N@@H+]1CC[C@@H](CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000283680282 463970379 /nfs/dbraw/zinc/97/03/79/463970379.db2.gz XPBGESAKVFOVLN-LBPRGKRZSA-N 1 0 336.392 2.229 10 5 EEBERO CC(C)(C)OC(=O)[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178836244 463987709 /nfs/dbraw/zinc/98/77/09/463987709.db2.gz YGWAJBYCFBILOP-GFCCVEGCSA-N 1 0 349.387 2.197 10 5 EEBERO Cc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235186414 464212061 /nfs/dbraw/zinc/21/20/61/464212061.db2.gz JASMAXFGGFUYCW-RNCFNFMXSA-N 1 0 344.209 2.218 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000271401158 464300923 /nfs/dbraw/zinc/30/09/23/464300923.db2.gz MVKRIOOOIZUDLN-UHFFFAOYSA-N 1 0 329.360 2.176 10 5 EEBERO C[N@@H+]1CCO[C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000285166053 464473485 /nfs/dbraw/zinc/47/34/85/464473485.db2.gz USCXXPBGRBAAKJ-JKSUJKDBSA-N 1 0 328.372 2.052 10 5 EEBERO C[N@@H+]1CCN(CCNc2ncc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000281642626 464531652 /nfs/dbraw/zinc/53/16/52/464531652.db2.gz MNWSMJAIUUXIRU-UHFFFAOYSA-N 1 0 327.816 2.081 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000175356307 464531972 /nfs/dbraw/zinc/53/19/72/464531972.db2.gz HEGZAHBZPDJSGY-AWEZNQCLSA-N 1 0 337.420 2.398 10 5 EEBERO CO[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000285441705 464565597 /nfs/dbraw/zinc/56/55/97/464565597.db2.gz RVTKYSJJSXCSQT-PHIMTYICSA-N 1 0 327.768 2.296 10 5 EEBERO C[NH+](C)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272412648 464599558 /nfs/dbraw/zinc/59/95/58/464599558.db2.gz ZIKCXDIQPUQDGL-UHFFFAOYSA-N 1 0 331.319 2.268 10 5 EEBERO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182925608 464758911 /nfs/dbraw/zinc/75/89/11/464758911.db2.gz XOTDJYUVCSZCSL-WBMJQRKESA-N 1 0 329.356 2.245 10 5 EEBERO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCOC2(C)C)c([N+](=O)[O-])c1 ZINC000295366248 464804822 /nfs/dbraw/zinc/80/48/22/464804822.db2.gz ZLZJYTCYTLGLQU-CQSZACIVSA-N 1 0 337.376 2.089 10 5 EEBERO Cn1cc(C[NH2+]CC2(C)OCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000192252490 464894869 /nfs/dbraw/zinc/89/48/69/464894869.db2.gz ZDQXWJJTTPTYGE-UHFFFAOYSA-N 1 0 346.387 2.238 10 5 EEBERO Cn1cc([C@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)cn1 ZINC000177081649 464924473 /nfs/dbraw/zinc/92/44/73/464924473.db2.gz RWNGIZNHGMGQCH-NSHDSACASA-N 1 0 327.344 2.459 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000177424005 465011369 /nfs/dbraw/zinc/01/13/69/465011369.db2.gz FOTCOEYPMVCWOW-MRXNPFEDSA-N 1 0 334.420 2.263 10 5 EEBERO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](CO)c2cccnc2)n1 ZINC000348206468 465490111 /nfs/dbraw/zinc/49/01/11/465490111.db2.gz LTSSZSKUHPOYPB-OWCLPIDISA-N 1 0 345.403 2.036 10 5 EEBERO NC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000301061641 465894336 /nfs/dbraw/zinc/89/43/36/465894336.db2.gz BRSTYPWVAYGVFK-UHFFFAOYSA-N 1 0 346.431 2.396 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000301450510 465965307 /nfs/dbraw/zinc/96/53/07/465965307.db2.gz SSJCBXUXCBIYHE-UHFFFAOYSA-N 1 0 332.335 2.464 10 5 EEBERO CC(C)C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[NH+](C)C ZINC000301675232 466007544 /nfs/dbraw/zinc/00/75/44/466007544.db2.gz HGZOSQDTHJHNQA-NSHDSACASA-N 1 0 336.392 2.314 10 5 EEBERO CN(C(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000366945466 466032767 /nfs/dbraw/zinc/03/27/67/466032767.db2.gz PFNOQJYUSPALIE-KRWDZBQOSA-N 1 0 333.388 2.060 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000362029051 466497736 /nfs/dbraw/zinc/49/77/36/466497736.db2.gz RTWIARHLYODPDD-FGTMMUONSA-N 1 0 344.415 2.468 10 5 EEBERO C[N@@H+]1CC[C@@](O)(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253537 466573936 /nfs/dbraw/zinc/57/39/36/466573936.db2.gz OBAHSKOWLGKFGA-RBUKOAKNSA-N 1 0 341.411 2.340 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423389295 466735974 /nfs/dbraw/zinc/73/59/74/466735974.db2.gz JGULGASNCZSFTD-UHOFOFEASA-N 1 0 329.404 2.005 10 5 EEBERO CN1CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000424304862 467026950 /nfs/dbraw/zinc/02/69/50/467026950.db2.gz APXYGKXZPWOGTL-BBRMVZONSA-N 1 0 331.416 2.374 10 5 EEBERO COc1cc(C[N@@H+]2CCC[C@H](c3n[n-]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000450897055 467200115 /nfs/dbraw/zinc/20/01/15/467200115.db2.gz PVOZZLOTVGESMF-NSHDSACASA-N 1 0 334.332 2.072 10 5 EEBERO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)F ZINC000449420959 467642545 /nfs/dbraw/zinc/64/25/45/467642545.db2.gz HATOVMPKANFGBE-LQJRIPTKSA-N 1 0 345.346 2.306 10 5 EEBERO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000487547223 468044082 /nfs/dbraw/zinc/04/40/82/468044082.db2.gz FQOFMGPGYTTZMY-SMDDNHRTSA-N 1 0 326.418 2.393 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000590375823 468242542 /nfs/dbraw/zinc/24/25/42/468242542.db2.gz LLPNXRFUIOJGFG-UHFFFAOYSA-N 1 0 331.416 2.472 10 5 EEBERO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590446580 468259852 /nfs/dbraw/zinc/25/98/52/468259852.db2.gz UWFAHOGXNSICRD-BXUZGUMPSA-N 1 0 335.429 2.483 10 5 EEBERO CNc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600470354 468567585 /nfs/dbraw/zinc/56/75/85/468567585.db2.gz NMKPRZCYTSRJNM-ZDUSSCGKSA-N 1 0 332.404 2.383 10 5 EEBERO Cn1ccnc1[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709686 468628022 /nfs/dbraw/zinc/62/80/22/468628022.db2.gz PNKCMMGTRDSVOV-JKSUJKDBSA-N 1 0 341.415 2.292 10 5 EEBERO Cc1c(Br)c(N2C[C@H](C)[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC000600960659 468697480 /nfs/dbraw/zinc/69/74/80/468697480.db2.gz CKBYGJWJWMDVEH-CBAPKCEASA-N 1 0 329.198 2.092 10 5 EEBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592571179 468731751 /nfs/dbraw/zinc/73/17/51/468731751.db2.gz USDUJMTVLMAGQJ-AWEZNQCLSA-N 1 0 335.429 2.478 10 5 EEBERO COc1ccc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000594968378 468733537 /nfs/dbraw/zinc/73/35/37/468733537.db2.gz WPWHTJVIISWPES-QLFBSQMISA-N 1 0 338.404 2.259 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000601110468 468744276 /nfs/dbraw/zinc/74/42/76/468744276.db2.gz GMKAKKSZQYMHLS-VIFPVBQESA-N 1 0 333.314 2.022 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000595052297 468749357 /nfs/dbraw/zinc/74/93/57/468749357.db2.gz WWNVNPFRQVQUSU-MKBNYLNASA-N 1 0 340.420 2.412 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(O)CC1 ZINC000595091414 468757383 /nfs/dbraw/zinc/75/73/83/468757383.db2.gz ICASAWXHHCRIJD-FUJMWEONSA-N 1 0 335.404 2.453 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000601188438 468776188 /nfs/dbraw/zinc/77/61/88/468776188.db2.gz GOWFLTOOKKVQEB-KRWDZBQOSA-N 1 0 330.388 2.036 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000598162126 468782449 /nfs/dbraw/zinc/78/24/49/468782449.db2.gz VJFNPASPZHMGIM-UHFFFAOYSA-N 1 0 348.222 2.052 10 5 EEBERO CO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCCC1 ZINC000595286605 468800749 /nfs/dbraw/zinc/80/07/49/468800749.db2.gz IMSZKBDEFNUFOL-MRXNPFEDSA-N 1 0 334.420 2.317 10 5 EEBERO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000598341577 468837059 /nfs/dbraw/zinc/83/70/59/468837059.db2.gz CMQMMIBMTMTALV-LLVKDONJSA-N 1 0 343.330 2.410 10 5 EEBERO CCOc1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)ccc1[N+](=O)[O-] ZINC000595607301 468921005 /nfs/dbraw/zinc/92/10/05/468921005.db2.gz LAXGRQGAVVKKNV-AWEZNQCLSA-N 1 0 331.376 2.107 10 5 EEBERO C[C@@]12COC[C@]1(C)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595689475 468955803 /nfs/dbraw/zinc/95/58/03/468955803.db2.gz QDYUBSXBNASXHN-CALCHBBNSA-N 1 0 333.388 2.282 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593480020 468998383 /nfs/dbraw/zinc/99/83/83/468998383.db2.gz SZDBXOMCKTXMCH-CHWSQXEVSA-N 1 0 330.388 2.034 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)n1 ZINC000601743976 469000730 /nfs/dbraw/zinc/00/07/30/469000730.db2.gz GUZOZFZRFXVUGA-UHFFFAOYSA-N 1 0 349.435 2.292 10 5 EEBERO Cc1c(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)cccc1[N+](=O)[O-] ZINC000595930011 469087572 /nfs/dbraw/zinc/08/75/72/469087572.db2.gz XKZSQMHUNISYBA-UHFFFAOYSA-N 1 0 344.371 2.288 10 5 EEBERO Cc1c(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cccc1[N+](=O)[O-] ZINC000595929497 469087805 /nfs/dbraw/zinc/08/78/05/469087805.db2.gz KPTLKEAWFOKLQN-GFCCVEGCSA-N 1 0 344.375 2.062 10 5 EEBERO O=C(CC[N@@H+]1CCO[C@H](C(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000601971038 469120066 /nfs/dbraw/zinc/12/00/66/469120066.db2.gz ACUOTOFEBMMSBB-ZDUSSCGKSA-N 1 0 343.330 2.279 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599357743 469225426 /nfs/dbraw/zinc/22/54/26/469225426.db2.gz XJGWAGYVJYIBHD-SECBINFHSA-N 1 0 342.193 2.181 10 5 EEBERO CC[C@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000611403265 469242213 /nfs/dbraw/zinc/24/22/13/469242213.db2.gz FKMCIEJENASEPH-DOMZBBRYSA-N 1 0 326.418 2.460 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(=NCC3CC[NH+](CC4CC4)CC3)[nH]c2c1 ZINC000596563739 469301893 /nfs/dbraw/zinc/30/18/93/469301893.db2.gz UKHIRMPJCYEWDI-UHFFFAOYSA-N 1 0 329.404 2.427 10 5 EEBERO Nc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)cc(CO)c1[N+](=O)[O-] ZINC000596569605 469303325 /nfs/dbraw/zinc/30/33/25/469303325.db2.gz ACAKJTYHGBXXKL-CYBMUJFWSA-N 1 0 334.420 2.203 10 5 EEBERO COC(=O)[C@](C)(NCC[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000599647209 469322572 /nfs/dbraw/zinc/32/25/72/469322572.db2.gz AFUDINDOOQMZES-WMLDXEAASA-N 1 0 335.404 2.057 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608901159 469884719 /nfs/dbraw/zinc/88/47/19/469884719.db2.gz TVYVUDDKTGHOOW-UHFFFAOYSA-N 1 0 339.311 2.193 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H](C)C1 ZINC000610178273 469985737 /nfs/dbraw/zinc/98/57/37/469985737.db2.gz RSRZCSMCIGVPFN-AAEUAGOBSA-N 1 0 349.387 2.126 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595829429 485609495 /nfs/dbraw/zinc/60/94/95/485609495.db2.gz HTULLQMJVYKPRF-KBPBESRZSA-N 1 0 333.388 2.200 10 5 EEBERO O=[N+]([O-])c1cccnc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596423087 485613065 /nfs/dbraw/zinc/61/30/65/485613065.db2.gz JEDNOTLILRUAOU-OAHLLOKOSA-N 1 0 328.372 2.169 10 5 EEBERO CNC(=O)C1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000895884233 684760295 /nfs/dbraw/zinc/76/02/95/684760295.db2.gz NJTPJERZMRGJJC-UHFFFAOYSA-N 1 0 335.404 2.103 10 5 EEBERO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521410 685012217 /nfs/dbraw/zinc/01/22/17/685012217.db2.gz DGEAYRJJSIOBQV-OAHLLOKOSA-N 1 0 333.388 2.463 10 5 EEBERO Cc1ccccc1C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001267257685 1178627727 /nfs/dbraw/zinc/62/77/27/1178627727.db2.gz QCZMBJDEWCCMRT-IAGOWNOFSA-N 1 0 333.432 2.377 10 5 EEBERO Cc1ncc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001481214160 1180279629 /nfs/dbraw/zinc/27/96/29/1180279629.db2.gz PCCRQKPXVXAONW-UHFFFAOYSA-N 1 0 334.401 2.222 10 5 EEBERO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cccnc1 ZINC001268785808 1183700173 /nfs/dbraw/zinc/70/01/73/1183700173.db2.gz JFAVSWFXENFHNI-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CCOCC1 ZINC001268880916 1183789142 /nfs/dbraw/zinc/78/91/42/1183789142.db2.gz FZMIQWUCEXTFGS-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CCc1ncoc1C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001670854839 1187507639 /nfs/dbraw/zinc/50/76/39/1187507639.db2.gz LIGJFRYFRVNVDC-UHFFFAOYSA-N 1 0 344.371 2.197 10 5 EEBERO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000842047655 1188245083 /nfs/dbraw/zinc/24/50/83/1188245083.db2.gz RHBJVOCZWVJDSM-WDEREUQCSA-N 1 0 336.417 2.096 10 5 EEBERO [NH3+][C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[C@@H]1C(F)(F)F ZINC000905720550 1189888161 /nfs/dbraw/zinc/88/81/61/1189888161.db2.gz DUGIVLLGXACXRX-JGVFFNPUSA-N 1 0 347.322 2.315 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1(CF)CCC1 ZINC001483767761 1191001883 /nfs/dbraw/zinc/00/18/83/1191001883.db2.gz GEYIXGWCAQQAPV-UHFFFAOYSA-N 1 0 335.379 2.473 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)c1ccns1 ZINC001484636880 1191453196 /nfs/dbraw/zinc/45/31/96/1191453196.db2.gz YBZJNWADSATETH-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc[nH]n1 ZINC001485246264 1191708040 /nfs/dbraw/zinc/70/80/40/1191708040.db2.gz RSCUICNBPNNFLS-UHFFFAOYSA-N 1 0 345.403 2.206 10 5 EEBERO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000703306976 1196424872 /nfs/dbraw/zinc/42/48/72/1196424872.db2.gz VXENIFKULXAWNQ-ZDUSSCGKSA-N 1 0 337.376 2.278 10 5 EEBERO C[C@H]([NH2+]CCN1CCOCC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030968 1198031242 /nfs/dbraw/zinc/03/12/42/1198031242.db2.gz FGJKPCPVOUZFIB-LBPRGKRZSA-N 1 0 325.384 2.495 10 5 EEBERO C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071806 1198041457 /nfs/dbraw/zinc/04/14/57/1198041457.db2.gz XWLJDSZMYISFDE-WDEREUQCSA-N 1 0 330.381 2.209 10 5 EEBERO CCC(=O)c1ccc(N2CCC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000865924693 1198425536 /nfs/dbraw/zinc/42/55/36/1198425536.db2.gz UWHWVVLZASFCIA-QGZVFWFLSA-N 1 0 335.404 2.080 10 5 EEBERO COCCN(CC1CC[NH+](C)CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000865995960 1198448781 /nfs/dbraw/zinc/44/87/81/1198448781.db2.gz BONSNDFIWKLIHW-UHFFFAOYSA-N 1 0 347.419 2.266 10 5 EEBERO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000870990636 1200993105 /nfs/dbraw/zinc/99/31/05/1200993105.db2.gz ABDGUCGADWKPIU-QGZVFWFLSA-N 1 0 335.404 2.197 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866206808 1201464818 /nfs/dbraw/zinc/46/48/18/1201464818.db2.gz FYEOHWQJLPNSHA-JSGCOSHPSA-N 1 0 333.388 2.220 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866721817 1201589868 /nfs/dbraw/zinc/58/98/68/1201589868.db2.gz PXISOCVURBCGBS-ZBFHGGJFSA-N 1 0 332.404 2.058 10 5 EEBERO Cc1ccc(NC(=O)NCCCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000925893317 1206164558 /nfs/dbraw/zinc/16/45/58/1206164558.db2.gz AIAGSXCCTVRSAE-UHFFFAOYSA-N 1 0 349.435 2.100 10 5 EEBERO Cc1c(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000927644060 1206285471 /nfs/dbraw/zinc/28/54/71/1206285471.db2.gz FSIYTVDMKAEFNY-CQSZACIVSA-N 1 0 348.403 2.278 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000931261600 1206619940 /nfs/dbraw/zinc/61/99/40/1206619940.db2.gz CJPWAIYIALNLBH-RISCZKNCSA-N 1 0 334.376 2.161 10 5 EEBERO O=[N+]([O-])c1ccc(CCN2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931287948 1206622229 /nfs/dbraw/zinc/62/22/29/1206622229.db2.gz DNDRWTBLBIPZSM-UHFFFAOYSA-N 1 0 333.432 2.324 10 5 EEBERO COc1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000795287036 1212425065 /nfs/dbraw/zinc/42/50/65/1212425065.db2.gz IQXUFBGRXRTGDI-UHFFFAOYSA-N 1 0 332.335 2.464 10 5 EEBERO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903272985 1240152210 /nfs/dbraw/zinc/15/22/10/1240152210.db2.gz SFPFCQHEJWCKMD-PEYYIBSZSA-N 1 0 336.461 2.407 10 5 EEBERO C[C@@H]1[C@@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000903301991 1240209293 /nfs/dbraw/zinc/20/92/93/1240209293.db2.gz VRKNKMNXZIYPQH-UHOFOFEASA-N 1 0 329.404 2.100 10 5 EEBERO CO[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000903314087 1240231014 /nfs/dbraw/zinc/23/10/14/1240231014.db2.gz GMHDZRWNVCSDLS-NFAWXSAZSA-N 1 0 340.449 2.387 10 5 EEBERO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903340034 1240270442 /nfs/dbraw/zinc/27/04/42/1240270442.db2.gz RKRYCQJUNAQVQA-QWHCGFSZSA-N 1 0 325.384 2.495 10 5 EEBERO CCc1nc[nH]c1C(=O)N(CC)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273731661 1284350465 /nfs/dbraw/zinc/35/04/65/1284350465.db2.gz GQICSKUQAFCDLA-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO CN(C(=O)C[N@@H+]1C[C@H]2CSC[C@@]2(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001198467365 1285169403 /nfs/dbraw/zinc/16/94/03/1285169403.db2.gz LISJWFRJWQTQKL-BLLLJJGKSA-N 1 0 335.429 2.243 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC000852760654 1292190057 /nfs/dbraw/zinc/19/00/57/1292190057.db2.gz KOQDXFKXWWAKTJ-HNNXBMFYSA-N 1 0 325.384 2.277 10 5 EEBERO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1C[NH2+]CCC1(F)F ZINC000857768713 1293911413 /nfs/dbraw/zinc/91/14/13/1293911413.db2.gz WONJOCWKUILPQV-JTQLQIEISA-N 1 0 334.710 2.367 10 5 EEBERO CC(C)Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001277055045 1301063909 /nfs/dbraw/zinc/06/39/09/1301063909.db2.gz LXDXCGAYCRSNCW-IAGOWNOFSA-N 1 0 345.443 2.289 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840139732 1315306046 /nfs/dbraw/zinc/30/60/46/1315306046.db2.gz AQVFYGXPEVFPGT-MRXNPFEDSA-N 1 0 331.376 2.108 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC(C)(C)CCC[NH3+])c1 ZINC000842873556 1315788951 /nfs/dbraw/zinc/78/89/51/1315788951.db2.gz OISSZEWTNQLTRT-UHFFFAOYSA-N 1 0 349.840 2.352 10 5 EEBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1(C)C ZINC001142927017 1315802249 /nfs/dbraw/zinc/80/22/49/1315802249.db2.gz DGAICOUCLUKOKH-LSDHHAIUSA-N 1 0 335.404 2.209 10 5 EEBERO O=C(Cc1ccoc1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001263831397 1322531291 /nfs/dbraw/zinc/53/12/91/1322531291.db2.gz NRALYLFLTUHUIX-IYBDPMFKSA-N 1 0 343.383 2.415 10 5 EEBERO Cc1ccc(CC(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001492227815 1331100571 /nfs/dbraw/zinc/10/05/71/1331100571.db2.gz AUPDKUFHYADBGM-UHFFFAOYSA-N 1 0 331.372 2.287 10 5 EEBERO CC[N@H+](CCNC(=O)c1snnc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001317473779 1331566074 /nfs/dbraw/zinc/56/60/74/1331566074.db2.gz YXUNWDXFDLRAGG-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1CCCCCC1 ZINC001316823033 1331913877 /nfs/dbraw/zinc/91/38/77/1331913877.db2.gz BGWYUSKDTZWLOE-HZPDHXFCSA-N 1 0 325.453 2.450 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1nccs1 ZINC001317661784 1332356408 /nfs/dbraw/zinc/35/64/08/1332356408.db2.gz ZCASVJLDGFQXRU-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO O=C(NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCC1)c1cccnc1 ZINC001326772676 1334157678 /nfs/dbraw/zinc/15/76/78/1334157678.db2.gz DRQUZUUSICVXTE-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO C[C@](CO)(NC(=O)CCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001348777099 1337575497 /nfs/dbraw/zinc/57/54/97/1337575497.db2.gz ARXGIMRKKMRVPI-GOSISDBHSA-N 1 0 349.431 2.185 10 5 EEBERO Cc1c(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC001349760612 1337645382 /nfs/dbraw/zinc/64/53/82/1337645382.db2.gz QAKZYZHUSFKYKM-CQSZACIVSA-N 1 0 334.372 2.313 10 5 EEBERO CCc1n[nH]cc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001667593096 1355766181 /nfs/dbraw/zinc/76/61/81/1355766181.db2.gz ZMJDMPYXDOACOU-UHFFFAOYSA-N 1 0 345.403 2.084 10 5 EEBERO NC(=O)c1cc(NCCCCc2cc[nH+]c(N)c2)ccc1[N+](=O)[O-] ZINC001643237140 1352743343 /nfs/dbraw/zinc/74/33/43/1352743343.db2.gz FYEAPCBYTFUOIU-UHFFFAOYSA-N 1 0 329.360 2.106 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001655100251 1354164883 /nfs/dbraw/zinc/16/48/83/1354164883.db2.gz CFIZFXXTGKWVOX-QGZVFWFLSA-N 1 0 343.383 2.220 10 5 EEBERO O=C(CC[N@@H+]1CC[C@H](c2ncccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001660357176 1354448028 /nfs/dbraw/zinc/44/80/28/1354448028.db2.gz HAVSGTLHTWDQTM-ZDUSSCGKSA-N 1 0 341.371 2.203 10 5 EEBERO CCc1cc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC001669146878 1356107210 /nfs/dbraw/zinc/10/72/10/1356107210.db2.gz YVTSHZUTFOSECB-ONEGZZNKSA-N 1 0 344.371 2.221 10 5 EEBERO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000818562986 785293882 /nfs/dbraw/zinc/29/38/82/785293882.db2.gz IEKBSDIRMSJORC-NSHDSACASA-N 1 0 341.770 2.283 10 5 EEBERO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819105905 785405410 /nfs/dbraw/zinc/40/54/10/785405410.db2.gz JUQLJGLNGIIWJB-PIGZYNQJSA-N 1 0 332.404 2.199 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001136669054 787557909 /nfs/dbraw/zinc/55/79/09/787557909.db2.gz NQWJHTIORLEJMH-HIFRSBDPSA-N 1 0 335.404 2.210 10 5 EEBERO [NH3+]C[C@@H]1Cc2ccccc2N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923415069 789521400 /nfs/dbraw/zinc/52/14/00/789521400.db2.gz PPERMXBXZQYFON-UGSOOPFHSA-N 1 0 327.384 2.266 10 5 EEBERO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cnc(N)c([N+](=O)[O-])c3)ccc21 ZINC001183507987 801631844 /nfs/dbraw/zinc/63/18/44/801631844.db2.gz ISBXJQRPEMFXSN-CQSZACIVSA-N 1 0 341.371 2.373 10 5 EEBERO Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1C ZINC001497523841 1102620085 /nfs/dbraw/zinc/62/00/85/1102620085.db2.gz RYIYCAXYLDVJPE-ONEGZZNKSA-N 1 0 342.399 2.318 10 5 EEBERO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001466636328 1110440246 /nfs/dbraw/zinc/44/02/46/1110440246.db2.gz RDEZHPCNGIJKOU-IINYFYTJSA-N 1 0 329.360 2.427 10 5 EEBERO Cc1cccnc1[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001473866535 1110582616 /nfs/dbraw/zinc/58/26/16/1110582616.db2.gz IIFCCOKEPMLEBC-ZBFHGGJFSA-N 1 0 347.419 2.233 10 5 EEBERO CCc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)c1 ZINC001501950921 1113533819 /nfs/dbraw/zinc/53/38/19/1113533819.db2.gz RJWKBRYLMJHIIR-HZPDHXFCSA-N 1 0 331.416 2.043 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC001540649378 1124089508 /nfs/dbraw/zinc/08/95/08/1124089508.db2.gz VCODKJGPTZNLLW-MRVPVSSYSA-N 1 0 343.796 2.066 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Br ZINC000268646945 282119322 /nfs/dbraw/zinc/11/93/22/282119322.db2.gz SYOZJCLDMWSLMJ-VIFPVBQESA-N 1 0 329.198 2.283 10 5 EEBERO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000069078778 215358777 /nfs/dbraw/zinc/35/87/77/215358777.db2.gz CVNGQRNLFHPSKJ-QGZVFWFLSA-N 1 0 346.431 2.484 10 5 EEBERO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000426796526 241340754 /nfs/dbraw/zinc/34/07/54/241340754.db2.gz BAEGCIKTQJUICT-JTQLQIEISA-N 1 0 329.347 2.260 10 5 EEBERO C[C@H](C[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000134157545 223477617 /nfs/dbraw/zinc/47/76/17/223477617.db2.gz GMLJNRHNMBNTFT-ZOCIIQOWSA-N 1 0 344.411 2.458 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183096363 533138849 /nfs/dbraw/zinc/13/88/49/533138849.db2.gz YWGWCGXSILAVEO-RISCZKNCSA-N 1 0 337.376 2.089 10 5 EEBERO CC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000270861354 256180727 /nfs/dbraw/zinc/18/07/27/256180727.db2.gz JXFJVQMSLLCHPV-ZFWWWQNUSA-N 1 0 343.374 2.290 10 5 EEBERO CCOc1ccccc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518162 292218999 /nfs/dbraw/zinc/21/89/99/292218999.db2.gz ZAEQVHVXUUZZEZ-UHFFFAOYSA-N 1 0 331.372 2.287 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000191713791 152268799 /nfs/dbraw/zinc/26/87/99/152268799.db2.gz JLZBDZIKWLZSBT-MLGOLLRUSA-N 1 0 345.403 2.232 10 5 EEBERO CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000255166164 160396958 /nfs/dbraw/zinc/39/69/58/160396958.db2.gz SGCAHHUXTSJHHZ-YZFBUXBQSA-N 1 0 333.432 2.385 10 5 EEBERO C[N@H+]1C[C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]2C1 ZINC000193623155 160184254 /nfs/dbraw/zinc/18/42/54/160184254.db2.gz RRJNAROQWNJRCX-OKILXGFUSA-N 1 0 328.372 2.243 10 5 EEBERO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352559591 162187130 /nfs/dbraw/zinc/18/71/30/162187130.db2.gz JRFSPWKFOQRRCA-SNVBAGLBSA-N 1 0 335.451 2.055 10 5 EEBERO CNC(=O)Cc1nc(CN(C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000352562149 162188888 /nfs/dbraw/zinc/18/88/88/162188888.db2.gz ISBUPODRBJBXSU-UHFFFAOYSA-N 1 0 348.428 2.014 10 5 EEBERO C[C@@](O)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000370061011 166385238 /nfs/dbraw/zinc/38/52/38/166385238.db2.gz RRFVNDBEWXJHBK-QGZVFWFLSA-N 1 0 330.388 2.336 10 5 EEBERO COCC[N@H+](C)CCCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000278203937 269215056 /nfs/dbraw/zinc/21/50/56/269215056.db2.gz VSUGMVWMMZGOHX-UHFFFAOYSA-N 1 0 343.811 2.255 10 5 EEBERO C[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297740626 294329127 /nfs/dbraw/zinc/32/91/27/294329127.db2.gz ULMJFIUOKCRCIY-BBRMVZONSA-N 1 0 330.388 2.312 10 5 EEBERO [NH3+]C1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000417939125 313658182 /nfs/dbraw/zinc/65/81/82/313658182.db2.gz KDFJFANCKGJXTO-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000576148290 320145300 /nfs/dbraw/zinc/14/53/00/320145300.db2.gz XLMLBVWKVZZYSQ-CVEARBPZSA-N 1 0 335.404 2.388 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H]2c2ccccc2)c1 ZINC000576214140 320151385 /nfs/dbraw/zinc/15/13/85/320151385.db2.gz MIVFKLDRENJKEQ-NJAFHUGGSA-N 1 0 328.368 2.480 10 5 EEBERO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347889003 465288401 /nfs/dbraw/zinc/28/84/01/465288401.db2.gz JCHAZBVEHUEODN-QGZVFWFLSA-N 1 0 346.431 2.482 10 5 EEBERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000137050412 463275327 /nfs/dbraw/zinc/27/53/27/463275327.db2.gz YSKWBKAVJUSNQE-SJORKVTESA-N 1 0 330.388 2.470 10 5 EEBERO Nc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107666561 463577120 /nfs/dbraw/zinc/57/71/20/463577120.db2.gz PADBIQCPDNZBKA-CQSZACIVSA-N 1 0 332.404 2.268 10 5 EEBERO CC[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000181529797 464502365 /nfs/dbraw/zinc/50/23/65/464502365.db2.gz RODQOSSMSPJLKV-CQSZACIVSA-N 1 0 327.344 2.172 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246041941 464535923 /nfs/dbraw/zinc/53/59/23/464535923.db2.gz BHVUMHVEISASPB-STQMWFEESA-N 1 0 341.433 2.006 10 5 EEBERO Cc1cc(OCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000281654639 464536574 /nfs/dbraw/zinc/53/65/74/464536574.db2.gz NCIATWIIBNMKNH-KBPBESRZSA-N 1 0 335.404 2.223 10 5 EEBERO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295105815 464707352 /nfs/dbraw/zinc/70/73/52/464707352.db2.gz XTRDIDLBMLJBSA-QWRGUYRKSA-N 1 0 339.367 2.297 10 5 EEBERO COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000286023254 464777779 /nfs/dbraw/zinc/77/77/79/464777779.db2.gz AQBSHIRAXIVPTM-VXGBXAGGSA-N 1 0 336.392 2.004 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000348221793 465496935 /nfs/dbraw/zinc/49/69/35/465496935.db2.gz VWEQINBOCKXWIR-INIZCTEOSA-N 1 0 346.431 2.400 10 5 EEBERO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)C2)cn1 ZINC000361011558 465700827 /nfs/dbraw/zinc/70/08/27/465700827.db2.gz JMJNRGICPMWXBK-GFCCVEGCSA-N 1 0 335.795 2.350 10 5 EEBERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299508955 465780919 /nfs/dbraw/zinc/78/09/19/465780919.db2.gz BBFADOYJXCDVIM-HZPDHXFCSA-N 1 0 328.372 2.433 10 5 EEBERO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000353558937 465978329 /nfs/dbraw/zinc/97/83/29/465978329.db2.gz FHSBMDGNXPDGQH-HNNXBMFYSA-N 1 0 347.415 2.438 10 5 EEBERO CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349718445 466205169 /nfs/dbraw/zinc/20/51/69/466205169.db2.gz GCTJLMROKDZAOQ-OAHLLOKOSA-N 1 0 342.403 2.063 10 5 EEBERO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228824 468502047 /nfs/dbraw/zinc/50/20/47/468502047.db2.gz GFQYODPKLIKUKN-CYBMUJFWSA-N 1 0 332.404 2.314 10 5 EEBERO Cc1cc(OCC(=O)NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000372982660 466653220 /nfs/dbraw/zinc/65/32/20/466653220.db2.gz QSUPOGITSNAJKD-UHFFFAOYSA-N 1 0 347.415 2.415 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000370996537 467067021 /nfs/dbraw/zinc/06/70/21/467067021.db2.gz DZNYPHDYZHPCQK-YOEHRIQHSA-N 1 0 328.372 2.298 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397072 467393694 /nfs/dbraw/zinc/39/36/94/467393694.db2.gz MFIRGDSGSRPALX-WMLDXEAASA-N 1 0 346.431 2.306 10 5 EEBERO C[C@H](Cc1ccoc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449239052 467625375 /nfs/dbraw/zinc/62/53/75/467625375.db2.gz ULZFLHCVBCWNCH-GFCCVEGCSA-N 1 0 338.385 2.182 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1CCO ZINC000449393242 467637122 /nfs/dbraw/zinc/63/71/22/467637122.db2.gz LUQBZDYJLMVLAH-NVXWUHKLSA-N 1 0 335.448 2.352 10 5 EEBERO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)[C@H]1[NH3+] ZINC000457375671 467811459 /nfs/dbraw/zinc/81/14/59/467811459.db2.gz YMXRVADKKLNROU-YHAQOWFVSA-N 1 0 325.796 2.375 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488116326 468072506 /nfs/dbraw/zinc/07/25/06/468072506.db2.gz OBDKVWCTSROWOW-CYBMUJFWSA-N 1 0 330.388 2.088 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000589518297 468159390 /nfs/dbraw/zinc/15/93/90/468159390.db2.gz GGIFDNHHGGHVII-BBRMVZONSA-N 1 0 347.415 2.440 10 5 EEBERO COC1CC[NH+](CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000589863982 468190716 /nfs/dbraw/zinc/19/07/16/468190716.db2.gz KAOHGJHRPUGDPL-UHFFFAOYSA-N 1 0 330.388 2.088 10 5 EEBERO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000592378761 468686479 /nfs/dbraw/zinc/68/64/79/468686479.db2.gz BNDHZORVLYUMGX-MGPQQGTHSA-N 1 0 334.372 2.425 10 5 EEBERO C[NH2+]CCOCCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000600952549 468695234 /nfs/dbraw/zinc/69/52/34/468695234.db2.gz ZGLLKGPOYDWAEI-UHFFFAOYSA-N 1 0 332.198 2.314 10 5 EEBERO CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C)C1 ZINC000597946349 468721295 /nfs/dbraw/zinc/72/12/95/468721295.db2.gz OWQAJGYIWIIDFP-GFCCVEGCSA-N 1 0 344.371 2.015 10 5 EEBERO COc1cc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc([N+](=O)[O-])c1C ZINC000592571377 468731903 /nfs/dbraw/zinc/73/19/03/468731903.db2.gz YTPGMKCKKBXAGE-OAHLLOKOSA-N 1 0 333.388 2.316 10 5 EEBERO CCOc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592570020 468731946 /nfs/dbraw/zinc/73/19/46/468731946.db2.gz JMCPZPUNAWQKRQ-OAHLLOKOSA-N 1 0 333.388 2.398 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593114616 468875381 /nfs/dbraw/zinc/87/53/81/468875381.db2.gz DQDKOAFXYNJUOX-TZMCWYRMSA-N 1 0 328.315 2.066 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)[C@@H]2C1 ZINC000601596255 468931255 /nfs/dbraw/zinc/93/12/55/468931255.db2.gz VZFUWTRJITZGMV-CZUORRHYSA-N 1 0 329.400 2.179 10 5 EEBERO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1c1c([N+](=O)[O-])ncn1C ZINC000610468864 468975580 /nfs/dbraw/zinc/97/55/80/468975580.db2.gz OWHZXGWMAFFOBF-AWEZNQCLSA-N 1 0 329.404 2.429 10 5 EEBERO CC1([NH+]2CCCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000601740456 468998201 /nfs/dbraw/zinc/99/82/01/468998201.db2.gz SZMSPSFZQAGZAU-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO COCC1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000595911965 469078241 /nfs/dbraw/zinc/07/82/41/469078241.db2.gz VTXSJDAIJGSRRS-OAHLLOKOSA-N 1 0 338.404 2.273 10 5 EEBERO COCC[N@@H+]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596076516 469142880 /nfs/dbraw/zinc/14/28/80/469142880.db2.gz GQRGRZUWIADESI-UHFFFAOYSA-N 1 0 343.811 2.415 10 5 EEBERO CCC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000599183106 469153187 /nfs/dbraw/zinc/15/31/87/469153187.db2.gz GWGRAUUTXYNCRP-UHFFFAOYSA-N 1 0 334.420 2.379 10 5 EEBERO C[NH+]1CCC(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000588883855 469175506 /nfs/dbraw/zinc/17/55/06/469175506.db2.gz BJBZTPRZCNNORJ-UHFFFAOYSA-N 1 0 345.403 2.012 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000599586973 469301291 /nfs/dbraw/zinc/30/12/91/469301291.db2.gz CCOFZAYTQMJXGK-IYBDPMFKSA-N 1 0 334.376 2.067 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000615761579 469310439 /nfs/dbraw/zinc/31/04/39/469310439.db2.gz JZRYXIHCSZTBFC-LLVKDONJSA-N 1 0 342.417 2.079 10 5 EEBERO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639342 469318926 /nfs/dbraw/zinc/31/89/26/469318926.db2.gz CWOIJZZQLUNXSQ-IIYDPXPESA-N 1 0 333.388 2.016 10 5 EEBERO O=c1ccc([C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000599641692 469320023 /nfs/dbraw/zinc/32/00/23/469320023.db2.gz OHBWCFPSXXJFNR-OAHLLOKOSA-N 1 0 330.344 2.306 10 5 EEBERO COCCN(C)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000229463453 536769613 /nfs/dbraw/zinc/76/96/13/536769613.db2.gz DLKKNTKHRDYJKH-GOEBONIOSA-N 1 0 349.431 2.473 10 5 EEBERO Cc1nn(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749960537 577984854 /nfs/dbraw/zinc/98/48/54/577984854.db2.gz WKGDSMHEVRLSHG-QGZVFWFLSA-N 1 0 345.403 2.498 10 5 EEBERO CCO[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000926821668 682761418 /nfs/dbraw/zinc/76/14/18/682761418.db2.gz ITVNQZJUTDEKKA-LLVKDONJSA-N 1 0 344.799 2.336 10 5 EEBERO CN(CCNC(=O)c1cc2c([nH]1)CCC2)Cc1ccccc1[N+](=O)[O-] ZINC001690987495 1176424000 /nfs/dbraw/zinc/42/40/00/1176424000.db2.gz GBLFHOIXDICJNN-UHFFFAOYSA-N 1 0 342.399 2.273 10 5 EEBERO Cc1ncoc1C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001266588066 1176894930 /nfs/dbraw/zinc/89/49/30/1176894930.db2.gz IUBVQJBEMVDZIA-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1ccco1 ZINC001267346038 1178796389 /nfs/dbraw/zinc/79/63/89/1178796389.db2.gz VWOZYPADEMVZCJ-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO Cc1ccc(CC(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001267468644 1179088574 /nfs/dbraw/zinc/08/85/74/1179088574.db2.gz AMNVVWDDTJJWAI-UHFFFAOYSA-N 1 0 348.428 2.150 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCc1ccco1 ZINC001481205566 1180149485 /nfs/dbraw/zinc/14/94/85/1180149485.db2.gz DJRZVNIZUBPDFU-UHFFFAOYSA-N 1 0 331.372 2.369 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001268504955 1183082476 /nfs/dbraw/zinc/08/24/76/1183082476.db2.gz GZSPUWYFFXOPTM-UPHRSURJSA-N 1 0 326.356 2.066 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccnc1 ZINC001271950488 1186681447 /nfs/dbraw/zinc/68/14/47/1186681447.db2.gz INFMVLOFHKBEIZ-UHFFFAOYSA-N 1 0 328.372 2.194 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC1CCOCC1 ZINC001482916294 1187832888 /nfs/dbraw/zinc/83/28/88/1187832888.db2.gz VYNRCHRIYMFHTF-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC001483077552 1188435585 /nfs/dbraw/zinc/43/55/85/1188435585.db2.gz KVGLKLYMCWQTMF-UPHRSURJSA-N 1 0 332.385 2.127 10 5 EEBERO Cc1ccc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC001483716404 1190807608 /nfs/dbraw/zinc/80/76/08/1190807608.db2.gz UHUOPOGRIKPFKX-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO CC(C)(C)c1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001483732154 1190838523 /nfs/dbraw/zinc/83/85/23/1190838523.db2.gz DRGLPXCULNAXTO-HZPDHXFCSA-N 1 0 345.443 2.388 10 5 EEBERO CC(C)OCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001273048208 1194351625 /nfs/dbraw/zinc/35/16/25/1194351625.db2.gz PAMMNRTTWDSTRI-UHFFFAOYSA-N 1 0 335.404 2.148 10 5 EEBERO CN1Cc2ccccc2[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000872236602 1198103971 /nfs/dbraw/zinc/10/39/71/1198103971.db2.gz RZAWPMVKKPLWDQ-MSOLQXFVSA-N 1 0 327.384 2.405 10 5 EEBERO CN1Cc2ccccc2[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872235812 1198104284 /nfs/dbraw/zinc/10/42/84/1198104284.db2.gz KHKCPTPJDPNKMZ-QZTJIDSGSA-N 1 0 327.384 2.405 10 5 EEBERO CC(=O)N(C)c1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000877654823 1200008693 /nfs/dbraw/zinc/00/86/93/1200008693.db2.gz WIFBOVKENZVWRA-UHFFFAOYSA-N 1 0 343.387 2.267 10 5 EEBERO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850041 1200957509 /nfs/dbraw/zinc/95/75/09/1200957509.db2.gz SYJAXQMGTDANKY-KBXCAEBGSA-N 1 0 345.399 2.201 10 5 EEBERO C[C@@H]1CC[C@H](CO)N1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880438426 1201489038 /nfs/dbraw/zinc/48/90/38/1201489038.db2.gz HHVIFOSZDYNJKF-MWLCHTKSSA-N 1 0 327.768 2.032 10 5 EEBERO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C2CCOCC2)CC1 ZINC000882049458 1201808579 /nfs/dbraw/zinc/80/85/79/1201808579.db2.gz VGVJXIKGSZWAMY-UHFFFAOYSA-N 1 0 333.388 2.098 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000869052731 1201930200 /nfs/dbraw/zinc/93/02/00/1201930200.db2.gz DGSSIPAKEXBPHJ-CABCVRRESA-N 1 0 332.404 2.329 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926092915 1206190758 /nfs/dbraw/zinc/19/07/58/1206190758.db2.gz HUCJPWPAJKVLNX-INIZCTEOSA-N 1 0 334.376 2.353 10 5 EEBERO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000927644059 1206285302 /nfs/dbraw/zinc/28/53/02/1206285302.db2.gz FSIYTVDMKAEFNY-AWEZNQCLSA-N 1 0 348.403 2.278 10 5 EEBERO O=C(CCC1CC1)N[C@@H]1[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001491310144 1258938660 /nfs/dbraw/zinc/93/86/60/1258938660.db2.gz DYIPJSADBMTXIA-VIKVFOODSA-N 1 0 335.429 2.393 10 5 EEBERO Cc1nn(C[N@@H+]2CC[C@H](c3ccccn3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000799158665 1305170167 /nfs/dbraw/zinc/17/01/67/1305170167.db2.gz PTEDDLLBRGLVHZ-ZDUSSCGKSA-N 1 0 338.371 2.490 10 5 EEBERO COc1ccc(C(=O)NCC23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC001123840681 1310727611 /nfs/dbraw/zinc/72/76/11/1310727611.db2.gz MHATZUGVZZNBAE-UHFFFAOYSA-N 1 0 333.388 2.209 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@]4(CCOC4)C3)n2)cc1 ZINC000840141123 1315308176 /nfs/dbraw/zinc/30/81/76/1315308176.db2.gz NASAXBIYAOEDNG-KRWDZBQOSA-N 1 0 343.387 2.313 10 5 EEBERO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCNc3ccccc3[N+](=O)[O-])C[N@@H+]2C1 ZINC001263701638 1322504629 /nfs/dbraw/zinc/50/46/29/1322504629.db2.gz MASXUBKHXMYZQF-ILXRZTDVSA-N 1 0 346.431 2.243 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC001263995682 1322580503 /nfs/dbraw/zinc/58/05/03/1322580503.db2.gz JMXYKGNLEJFVGT-XKQJLSEDSA-N 1 0 346.431 2.243 10 5 EEBERO COCCCC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001316929711 1331996778 /nfs/dbraw/zinc/99/67/78/1331996778.db2.gz WELAFHLWSJADAE-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO CCCn1nccc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001317591993 1332313682 /nfs/dbraw/zinc/31/36/82/1332313682.db2.gz OLHRGZLOGWLQJV-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO CC(F)(F)CC(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001321235390 1333051227 /nfs/dbraw/zinc/05/12/27/1333051227.db2.gz HJGGTDXLZGVFRP-IHWYPQMZSA-N 1 0 327.331 2.402 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)CC1 ZINC001352034694 1337883380 /nfs/dbraw/zinc/88/33/80/1337883380.db2.gz ISEBSTOMNXZLGV-UHFFFAOYSA-N 1 0 332.404 2.125 10 5 EEBERO O=[N+]([O-])c1ccc(Br)c(CN2C[C@H](O)C3(CC3)C2)c1 ZINC001354636239 1338568881 /nfs/dbraw/zinc/56/88/81/1338568881.db2.gz CPJZAQGMNJAVAN-LBPRGKRZSA-N 1 0 327.178 2.314 10 5 EEBERO O=[N+]([O-])CC[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001618266725 1352348691 /nfs/dbraw/zinc/34/86/91/1352348691.db2.gz YLENLJMRNPVRCK-OCCSQVGLSA-N 1 0 343.221 2.471 10 5 EEBERO COCC[N@@H+]1CCC[C@@H](Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])C1 ZINC001559216817 1342499278 /nfs/dbraw/zinc/49/92/78/1342499278.db2.gz PDBGZPGILMGFME-CYBMUJFWSA-N 1 0 348.378 2.227 10 5 EEBERO CC[N@H+](CCNC(=O)Cc1ccc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001567353977 1342742726 /nfs/dbraw/zinc/74/27/26/1342742726.db2.gz MFBSARXGJYUEQJ-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO O=C(Nc1ccc2c[nH+]cn2c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001598076396 1349935383 /nfs/dbraw/zinc/93/53/83/1349935383.db2.gz XAKYJZDXZOEIDU-UHFFFAOYSA-N 1 0 340.324 2.500 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001631423728 1352582984 /nfs/dbraw/zinc/58/29/84/1352582984.db2.gz DFGDMJXRIMVYJV-TZMCWYRMSA-N 1 0 335.404 2.340 10 5 EEBERO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001657888711 1354348708 /nfs/dbraw/zinc/34/87/08/1354348708.db2.gz KYFPBWFTYCFBHJ-ZDUSSCGKSA-N 1 0 332.360 2.380 10 5 EEBERO Cc1ncc(CC(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001660170220 1354409208 /nfs/dbraw/zinc/40/92/08/1354409208.db2.gz JCICJYQMOSIXBF-UHFFFAOYSA-N 1 0 346.387 2.072 10 5 EEBERO Cc1[nH]nc(C(=O)NCC=CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001668751498 1355997190 /nfs/dbraw/zinc/99/71/90/1355997190.db2.gz JNBJIGXOYLXKSS-ONEGZZNKSA-N 1 0 343.387 2.011 10 5 EEBERO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC1=CCCCC1 ZINC001670041441 1356265880 /nfs/dbraw/zinc/26/58/80/1356265880.db2.gz ATVXKTKWBQBREJ-UHFFFAOYSA-N 1 0 349.435 2.157 10 5 EEBERO CC1(C)CC[N@H+](CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001685648233 1358339435 /nfs/dbraw/zinc/33/94/35/1358339435.db2.gz DGXIIUGWGFYKLH-UHFFFAOYSA-N 1 0 349.435 2.038 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906585423 783991086 /nfs/dbraw/zinc/99/10/86/783991086.db2.gz SIZYQDVLCJKSHX-LBPRGKRZSA-N 1 0 325.796 2.391 10 5 EEBERO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000818006169 785162186 /nfs/dbraw/zinc/16/21/86/785162186.db2.gz YQRHLWGZBDGVFS-UHFFFAOYSA-N 1 0 347.400 2.353 10 5 EEBERO Cc1cc(OCC(=O)N2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000913392556 788847676 /nfs/dbraw/zinc/84/76/76/788847676.db2.gz HHDQXJVFVBNVLF-UHFFFAOYSA-N 1 0 335.404 2.225 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844433982 789119642 /nfs/dbraw/zinc/11/96/42/789119642.db2.gz PGTZHZKYGLZPQF-DZGCQCFKSA-N 1 0 342.342 2.456 10 5 EEBERO O=C(NC12CC[NH+](CC1)C2)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000913634898 794005832 /nfs/dbraw/zinc/00/58/32/794005832.db2.gz JCZKVWRYCIATII-UHFFFAOYSA-N 1 0 329.278 2.192 10 5 EEBERO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC001441848069 1095931474 /nfs/dbraw/zinc/93/14/74/1095931474.db2.gz ZTXFOQNDTNQCEK-HNNXBMFYSA-N 1 0 342.399 2.400 10 5 EEBERO CC(C)(C)OCC(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001497562500 1102672465 /nfs/dbraw/zinc/67/24/65/1102672465.db2.gz LMWCXHKWBIZTRH-SNAWJCMRSA-N 1 0 335.404 2.172 10 5 EEBERO Cc1ccc(NC(=O)c2ccc(N3CC=C(N)[NH2+]3)c([N+](=O)[O-])c2)cc1 ZINC001458596405 1109906281 /nfs/dbraw/zinc/90/62/81/1109906281.db2.gz PGOFOYQFEBSQOM-UHFFFAOYSA-N 1 0 339.355 2.280 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC001460554278 1110310524 /nfs/dbraw/zinc/31/05/24/1110310524.db2.gz FGWQWHUZBNZSPJ-VIFPVBQESA-N 1 0 331.332 2.297 10 5 EEBERO COc1cc(C(=O)NCc2ccc3c[nH+]cn3c2)ccc1[N+](=O)[O-] ZINC001460764508 1110323263 /nfs/dbraw/zinc/32/32/63/1110323263.db2.gz VRVHBVXSRMSHJB-UHFFFAOYSA-N 1 0 326.312 2.181 10 5 EEBERO O=[N+]([O-])c1sccc1N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001472900657 1110565525 /nfs/dbraw/zinc/56/55/25/1110565525.db2.gz UWJVMABIQYNLFI-UHFFFAOYSA-N 1 0 325.434 2.474 10 5 EEBERO COc1cccc(C(=O)NCC23CCC[NH+](CCC2)C3)c1[N+](=O)[O-] ZINC001528627400 1121098321 /nfs/dbraw/zinc/09/83/21/1121098321.db2.gz LAVDNNIXRJADJJ-UHFFFAOYSA-N 1 0 333.388 2.209 10 5 EEBERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2COC)CC[N@@H+]1CCOC ZINC000175099593 529402292 /nfs/dbraw/zinc/40/22/92/529402292.db2.gz YXTXNOBHKSQYKM-OAHLLOKOSA-N 1 0 337.420 2.288 10 5 EEBERO COc1cc(CN2CCCC[C@@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000451648028 243189671 /nfs/dbraw/zinc/18/96/71/243189671.db2.gz DAERLUFUZALSDH-CYBMUJFWSA-N 1 0 342.417 2.003 10 5 EEBERO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000173917738 159789196 /nfs/dbraw/zinc/78/91/96/159789196.db2.gz VCEYDVQDCQVEOX-LLVKDONJSA-N 1 0 347.462 2.009 10 5 EEBERO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)ccc1[N+](=O)[O-] ZINC000344061301 161194869 /nfs/dbraw/zinc/19/48/69/161194869.db2.gz MRMJNCVCAWEINX-BZUAXINKSA-N 1 0 347.415 2.340 10 5 EEBERO COC(=O)c1cc(C)nc(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000286508944 274879064 /nfs/dbraw/zinc/87/90/64/274879064.db2.gz WNJOCYZWLTZYII-LLVKDONJSA-N 1 0 336.392 2.229 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000069561856 277045387 /nfs/dbraw/zinc/04/53/87/277045387.db2.gz XVCCVBXBHBOADG-CQSZACIVSA-N 1 0 336.411 2.340 10 5 EEBERO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000359942103 279161112 /nfs/dbraw/zinc/16/11/12/279161112.db2.gz MNDSPHQNMAPQDV-CYBMUJFWSA-N 1 0 343.449 2.220 10 5 EEBERO Cc1c(NC(=O)[C@H](C)N2CCC3(CC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000422640495 314298349 /nfs/dbraw/zinc/29/83/49/314298349.db2.gz VQMJFOKUTVOYKH-ZDUSSCGKSA-N 1 0 332.404 2.058 10 5 EEBERO Cc1c(NC(=O)N(C)CCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000515140095 316463878 /nfs/dbraw/zinc/46/38/78/316463878.db2.gz CIMMJEMMQVNAJN-UHFFFAOYSA-N 1 0 345.197 2.478 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)ccc1[N+](=O)[O-] ZINC000539808571 318063438 /nfs/dbraw/zinc/06/34/38/318063438.db2.gz FFFWNFGRPILHRS-AWEZNQCLSA-N 1 0 330.388 2.402 10 5 EEBERO C[NH+](C)C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCOCC1 ZINC000581008612 324168154 /nfs/dbraw/zinc/16/81/54/324168154.db2.gz PYMKWEXUKLYJJH-UHFFFAOYSA-N 1 0 334.420 2.391 10 5 EEBERO CNc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000326223409 465036036 /nfs/dbraw/zinc/03/60/36/465036036.db2.gz DVCXLYNRQQRHHO-YHWZYXNKSA-N 1 0 332.404 2.382 10 5 EEBERO CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347889002 465288584 /nfs/dbraw/zinc/28/85/84/465288584.db2.gz JCHAZBVEHUEODN-KRWDZBQOSA-N 1 0 346.431 2.482 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000590663871 468299072 /nfs/dbraw/zinc/29/90/72/468299072.db2.gz ZUCDFYBVJOTKES-OAHLLOKOSA-N 1 0 335.404 2.296 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000113270633 462584102 /nfs/dbraw/zinc/58/41/02/462584102.db2.gz LBASZBSIVVCKTC-SWLSCSKDSA-N 1 0 343.387 2.313 10 5 EEBERO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ncccn1)c1cccc([N+](=O)[O-])c1 ZINC000090068560 462771566 /nfs/dbraw/zinc/77/15/66/462771566.db2.gz ADMJWRGCZIWHCJ-RISCZKNCSA-N 1 0 329.360 2.453 10 5 EEBERO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000590767524 468334133 /nfs/dbraw/zinc/33/41/33/468334133.db2.gz OVGDAHQYADHSND-TVQRCGJNSA-N 1 0 343.305 2.390 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000078523944 463125138 /nfs/dbraw/zinc/12/51/38/463125138.db2.gz ZABCMDIJJBTZKJ-ZDUSSCGKSA-N 1 0 330.388 2.036 10 5 EEBERO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000121517006 463148927 /nfs/dbraw/zinc/14/89/27/463148927.db2.gz ZJJAASHTTVVPCR-LLVKDONJSA-N 1 0 335.385 2.093 10 5 EEBERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)[C@@H](C)C1 ZINC000161180123 463407589 /nfs/dbraw/zinc/40/75/89/463407589.db2.gz PINKPOIWHNVALC-WFASDCNBSA-N 1 0 334.420 2.119 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104968882 463430218 /nfs/dbraw/zinc/43/02/18/463430218.db2.gz ONYFBJJIROCSJX-ZDUSSCGKSA-N 1 0 334.376 2.305 10 5 EEBERO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105177161 463442016 /nfs/dbraw/zinc/44/20/16/463442016.db2.gz GPVYAEPJFIUMBX-INIZCTEOSA-N 1 0 332.404 2.017 10 5 EEBERO CN(c1cccnn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105806287 463470035 /nfs/dbraw/zinc/47/00/35/463470035.db2.gz AQLUXYIMAKJGAS-UHFFFAOYSA-N 1 0 327.388 2.486 10 5 EEBERO [NH3+]CCN(CCc1ccccc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261645791 463814178 /nfs/dbraw/zinc/81/41/78/463814178.db2.gz CPFXMHZBUUUWCV-UHFFFAOYSA-N 1 0 327.384 2.167 10 5 EEBERO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000263741486 464174367 /nfs/dbraw/zinc/17/43/67/464174367.db2.gz NTGWXTVRKPXCIO-NSHDSACASA-N 1 0 335.408 2.011 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179753080 464180704 /nfs/dbraw/zinc/18/07/04/464180704.db2.gz ILVVKQGAYLFZHQ-LBPRGKRZSA-N 1 0 326.356 2.063 10 5 EEBERO C[NH2+]C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237065937 464259655 /nfs/dbraw/zinc/25/96/55/464259655.db2.gz PINFUKPREZNLIT-UHFFFAOYSA-N 1 0 341.795 2.228 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189137453 464441922 /nfs/dbraw/zinc/44/19/22/464441922.db2.gz AJPQHXCLINODID-CYBMUJFWSA-N 1 0 343.449 2.158 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599917246 468413205 /nfs/dbraw/zinc/41/32/05/468413205.db2.gz HTNUWSOWHHFVBV-QWHCGFSZSA-N 1 0 340.811 2.230 10 5 EEBERO CC1(C)OCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000295157103 464725662 /nfs/dbraw/zinc/72/56/62/464725662.db2.gz DVSOVXFQNCWHPY-ZDUSSCGKSA-N 1 0 325.340 2.220 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000286156874 464822923 /nfs/dbraw/zinc/82/29/23/464822923.db2.gz BVXIAORQUPUDAM-QWHCGFSZSA-N 1 0 334.376 2.124 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266962047 464886773 /nfs/dbraw/zinc/88/67/73/464886773.db2.gz XQPKPQFLZMEFLY-CQSZACIVSA-N 1 0 327.812 2.137 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCCCO ZINC000276418712 464924454 /nfs/dbraw/zinc/92/44/54/464924454.db2.gz QPHYUSBGYCQOKZ-SNVBAGLBSA-N 1 0 329.784 2.280 10 5 EEBERO CCOc1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000348011985 465369445 /nfs/dbraw/zinc/36/94/45/465369445.db2.gz WOWWOSCOBNZNCU-HNNXBMFYSA-N 1 0 333.388 2.160 10 5 EEBERO C[C@@H](CCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N)[NH+](C)C ZINC000597093389 468440509 /nfs/dbraw/zinc/44/05/09/468440509.db2.gz ZUTKKFFTNLQMIQ-QMMMGPOBSA-N 1 0 329.788 2.292 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000361011514 465700892 /nfs/dbraw/zinc/70/08/92/465700892.db2.gz JHACBEBYOFPRED-UUVAVEHKSA-N 1 0 347.415 2.325 10 5 EEBERO CC1CC[NH+](CCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000362571467 465840516 /nfs/dbraw/zinc/84/05/16/465840516.db2.gz YGIJFOLOVFXMMY-UHFFFAOYSA-N 1 0 341.358 2.264 10 5 EEBERO C[N@H+](CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000362726676 465978111 /nfs/dbraw/zinc/97/81/11/465978111.db2.gz SYUGXLWFHNGVJY-UHFFFAOYSA-N 1 0 341.358 2.406 10 5 EEBERO Cc1cc(NC[C@@H](CO)c2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340940853 466451254 /nfs/dbraw/zinc/45/12/54/466451254.db2.gz SQHUOHMXTZSNCL-AWEZNQCLSA-N 1 0 338.367 2.456 10 5 EEBERO [NH3+]C1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000417774282 466929934 /nfs/dbraw/zinc/92/99/34/466929934.db2.gz ZBZLJYREFWFQGJ-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418558464 467128358 /nfs/dbraw/zinc/12/83/58/467128358.db2.gz QBAPTLFQSGVDRW-BLLLJJGKSA-N 1 0 332.404 2.267 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000428485826 467238998 /nfs/dbraw/zinc/23/89/98/467238998.db2.gz QIRMZJXKYYFHIR-LBPRGKRZSA-N 1 0 345.321 2.404 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000430200033 467407780 /nfs/dbraw/zinc/40/77/80/467407780.db2.gz DZFOYUHTKJZVFP-UHFFFAOYSA-N 1 0 347.415 2.438 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+]CC[C@](C)(O)COC)cc1[N+](=O)[O-] ZINC000453245467 467469243 /nfs/dbraw/zinc/46/92/43/467469243.db2.gz BWQCDARKPZBTDS-LRDDRELGSA-N 1 0 326.393 2.432 10 5 EEBERO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000449419601 467642384 /nfs/dbraw/zinc/64/23/84/467642384.db2.gz BNGUFTSJKWGDQP-WFBYXXMGSA-N 1 0 345.346 2.306 10 5 EEBERO CC(C)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000531265014 468040402 /nfs/dbraw/zinc/04/04/02/468040402.db2.gz QRCYYDMSDSVEAJ-IUODEOHRSA-N 1 0 331.372 2.205 10 5 EEBERO C[N@@H+]1CCO[C@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000589866095 468191290 /nfs/dbraw/zinc/19/12/90/468191290.db2.gz PSFIRYWMUJBKKO-HOTGVXAUSA-N 1 0 328.372 2.052 10 5 EEBERO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[C@H]2C1 ZINC000590447244 468259415 /nfs/dbraw/zinc/25/94/15/468259415.db2.gz WOMMPLDOXWBMBF-RNCFNFMXSA-N 1 0 343.305 2.390 10 5 EEBERO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000591991727 468592234 /nfs/dbraw/zinc/59/22/34/468592234.db2.gz LVGYKSOGRUXFAW-UHFFFAOYSA-N 1 0 333.388 2.098 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000600679224 468618549 /nfs/dbraw/zinc/61/85/49/468618549.db2.gz SYTKAKMRVTZOJM-SWLSCSKDSA-N 1 0 332.404 2.186 10 5 EEBERO C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000597695095 468640470 /nfs/dbraw/zinc/64/04/70/468640470.db2.gz QALCMRACVWHJEB-JQFCIGGWSA-N 1 0 347.415 2.020 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476448 468706620 /nfs/dbraw/zinc/70/66/20/468706620.db2.gz SUBJIOICCKKUDE-JKIFEVAISA-N 1 0 346.431 2.386 10 5 EEBERO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592571208 468731710 /nfs/dbraw/zinc/73/17/10/468731710.db2.gz VLSNPZJDRSAWJJ-OAHLLOKOSA-N 1 0 332.404 2.188 10 5 EEBERO COc1cc(C[NH2+]CCO[C@@H]2CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000594971144 468735113 /nfs/dbraw/zinc/73/51/13/468735113.db2.gz WHOUVWAVJFCOJH-CYBMUJFWSA-N 1 0 332.303 2.126 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000601104532 468742245 /nfs/dbraw/zinc/74/22/45/468742245.db2.gz ABRKPBLEOLVUBF-IUCAKERBSA-N 1 0 333.314 2.386 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC000601173961 468770781 /nfs/dbraw/zinc/77/07/81/468770781.db2.gz NHTHPEJXKDZSAJ-VIFPVBQESA-N 1 0 335.330 2.491 10 5 EEBERO O=C(COc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595224808 468788808 /nfs/dbraw/zinc/78/88/08/468788808.db2.gz HINHEHFQCIWMFQ-HUUCEWRRSA-N 1 0 347.415 2.354 10 5 EEBERO COc1cc(C[NH+]2CCC(Cn3cnnc3)CC2)ccc1[N+](=O)[O-] ZINC000593078100 468861925 /nfs/dbraw/zinc/86/19/25/468861925.db2.gz UGZAYQYGAAYUQL-UHFFFAOYSA-N 1 0 331.376 2.107 10 5 EEBERO COC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000595617967 468924509 /nfs/dbraw/zinc/92/45/09/468924509.db2.gz ZGESMESXPNTEOV-HNNXBMFYSA-N 1 0 330.331 2.404 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000572476356 468938235 /nfs/dbraw/zinc/93/82/35/468938235.db2.gz STXRDMKDUMOZDL-HRCADAONSA-N 1 0 328.368 2.480 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595752725 468987944 /nfs/dbraw/zinc/98/79/44/468987944.db2.gz VRPQBIVSROXHAN-ACJLOTCBSA-N 1 0 347.415 2.467 10 5 EEBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000601745443 469001947 /nfs/dbraw/zinc/00/19/47/469001947.db2.gz WKYJMKQLDIMFGQ-UHFFFAOYSA-N 1 0 348.403 2.176 10 5 EEBERO NC(=O)c1cccc2c1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595902738 469072994 /nfs/dbraw/zinc/07/29/94/469072994.db2.gz MRIARMIQUTVULO-UHFFFAOYSA-N 1 0 325.368 2.295 10 5 EEBERO Nc1cc(N2CC[NH+](CC3CCCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587528791 469091428 /nfs/dbraw/zinc/09/14/28/469091428.db2.gz TXPBRPWQHJDBFT-UHFFFAOYSA-N 1 0 348.447 2.372 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000610879220 469100893 /nfs/dbraw/zinc/10/08/93/469100893.db2.gz QJHRCECOQQAWKX-AWEZNQCLSA-N 1 0 332.404 2.363 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000599594998 469302639 /nfs/dbraw/zinc/30/26/39/469302639.db2.gz AUPWCDRAFVNYRP-VHSXEESVSA-N 1 0 344.318 2.458 10 5 EEBERO CC[NH+]1CCC(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000174129616 528961508 /nfs/dbraw/zinc/96/15/08/528961508.db2.gz DVOPPGIUSKLAAY-UHFFFAOYSA-N 1 0 335.404 2.212 10 5 EEBERO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000895120853 683977723 /nfs/dbraw/zinc/97/77/23/683977723.db2.gz SUXVBVRMBVNVFQ-LBPRGKRZSA-N 1 0 346.387 2.284 10 5 EEBERO C[C@@H]1[C@H](NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC[N@@H+]1C ZINC000925329072 692721790 /nfs/dbraw/zinc/72/17/90/692721790.db2.gz KNKLNQRILHFCFA-MLGOLLRUSA-N 1 0 332.404 2.361 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)c1ccnn1C ZINC000927127034 693298679 /nfs/dbraw/zinc/29/86/79/693298679.db2.gz PWPAYGLNNHCTMZ-IINYFYTJSA-N 1 0 336.417 2.434 10 5 EEBERO C[C@@H]1CN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C[C@H]1CC[NH3+] ZINC000905290790 694597569 /nfs/dbraw/zinc/59/75/69/694597569.db2.gz AIRTUKVEMTUZFX-GHMZBOCLSA-N 1 0 343.330 2.010 10 5 EEBERO Cc1cnccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001266691994 1177212901 /nfs/dbraw/zinc/21/29/01/1177212901.db2.gz CIZGBUCQHCLODK-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CCc1ocnc1C(=O)NCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC001267188579 1178458942 /nfs/dbraw/zinc/45/89/42/1178458942.db2.gz CHJDGOIMYCWYDI-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO Cc1cccnc1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267191038 1178463672 /nfs/dbraw/zinc/46/36/72/1178463672.db2.gz MAAUPXLWPMECMK-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO Cc1ncccc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001691454257 1178857772 /nfs/dbraw/zinc/85/77/72/1178857772.db2.gz VBOKTXPTSSWVGF-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC[C@H](NC(=O)CCC2CC2)CC1 ZINC001482015541 1183134169 /nfs/dbraw/zinc/13/41/69/1183134169.db2.gz XVABDHVGJVRIOW-HDJSIYSDSA-N 1 0 349.435 2.036 10 5 EEBERO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1ncc[nH]1 ZINC001269545102 1184367583 /nfs/dbraw/zinc/36/75/83/1184367583.db2.gz DAWFTLKVRGNLNP-UHFFFAOYSA-N 1 0 343.387 2.150 10 5 EEBERO CCOCC(=O)N1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269817804 1184643449 /nfs/dbraw/zinc/64/34/49/1184643449.db2.gz KQADAEZRGAGZHT-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO C/C=C(\C)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001484565698 1191420092 /nfs/dbraw/zinc/42/00/92/1191420092.db2.gz BBGHDRZPMVTOON-NTOLPRQPSA-N 1 0 349.435 2.059 10 5 EEBERO C[C@]12C[NH2+]C[C@H]1CN(c1cc(Br)ccc1[N+](=O)[O-])C2 ZINC000703607964 1196591169 /nfs/dbraw/zinc/59/11/69/1196591169.db2.gz NBGAEMCLEGWRQO-TVQRCGJNSA-N 1 0 326.194 2.403 10 5 EEBERO C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057765 1198036439 /nfs/dbraw/zinc/03/64/39/1198036439.db2.gz IBPBNWALTDKCHT-NWDGAFQWSA-N 1 0 340.351 2.307 10 5 EEBERO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000872203083 1198083741 /nfs/dbraw/zinc/08/37/41/1198083741.db2.gz UVOOKXSHGIMOLZ-UKRRQHHQSA-N 1 0 328.796 2.250 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCc4nc[nH]c4C3)CC2)cc1 ZINC000810252857 1199404920 /nfs/dbraw/zinc/40/49/20/1199404920.db2.gz KFVCKUVKWUXMIM-AWEZNQCLSA-N 1 0 341.415 2.434 10 5 EEBERO C[C@]([NH3+])(C(=O)N[C@@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000867943126 1201711010 /nfs/dbraw/zinc/71/10/10/1201711010.db2.gz MSIFNEABEPRAGG-VQIMIIECSA-N 1 0 339.395 2.442 10 5 EEBERO CC(=O)c1c(NC2CC[NH+]([C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000882114192 1201817530 /nfs/dbraw/zinc/81/75/30/1201817530.db2.gz PEHHJVYNVGJPNO-CQSZACIVSA-N 1 0 333.388 2.463 10 5 EEBERO Cc1cc(C(=O)NC/C=C\C[NH2+]Cc2cccc([N+](=O)[O-])c2)ns1 ZINC001273985373 1202225961 /nfs/dbraw/zinc/22/59/61/1202225961.db2.gz ZZOPMMVSXLMTRF-IHWYPQMZSA-N 1 0 346.412 2.436 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CC3(CCC3)CO1)OCCO2 ZINC000886288506 1202488337 /nfs/dbraw/zinc/48/83/37/1202488337.db2.gz AUGURLWBEKZLDD-CYBMUJFWSA-N 1 0 334.372 2.415 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC001275867270 1205571673 /nfs/dbraw/zinc/57/16/73/1205571673.db2.gz JMBOQJLHSGAAPO-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)cc1 ZINC000929749440 1206497726 /nfs/dbraw/zinc/49/77/26/1206497726.db2.gz ODRUBDPEYHFZCL-DOPJRALCSA-N 1 0 348.399 2.242 10 5 EEBERO CC[C@@](O)(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000929986599 1206525607 /nfs/dbraw/zinc/52/56/07/1206525607.db2.gz HMZABJLYYXTDMJ-ZWNOBZJWSA-N 1 0 348.325 2.179 10 5 EEBERO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)C3(O)CCCC3)C2)cc1 ZINC000930641219 1206572469 /nfs/dbraw/zinc/57/24/69/1206572469.db2.gz WQGCQYVLFDCOON-DOTOQJQBSA-N 1 0 334.416 2.440 10 5 EEBERO CCOc1cc(C[N@@H+]2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000930909591 1206591770 /nfs/dbraw/zinc/59/17/70/1206591770.db2.gz GQZDUUGNIGSZAF-YRGRVCCFSA-N 1 0 335.404 2.468 10 5 EEBERO O=[N+]([O-])c1cccc(-c2cnn(CN3CC[NH+](C4CC4)CC3)c2)c1 ZINC000777957831 1206608496 /nfs/dbraw/zinc/60/84/96/1206608496.db2.gz XESPITPBTKRSLF-UHFFFAOYSA-N 1 0 327.388 2.196 10 5 EEBERO CNC(=O)C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000796609606 1221661027 /nfs/dbraw/zinc/66/10/27/1221661027.db2.gz BVBMHMOKSKXMMX-DLBZAZTESA-N 1 0 343.383 2.095 10 5 EEBERO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000902906305 1239018727 /nfs/dbraw/zinc/01/87/27/1239018727.db2.gz SSBYSWQUIAQIJC-UONOGXRCSA-N 1 0 336.417 2.296 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903486242 1240625350 /nfs/dbraw/zinc/62/53/50/1240625350.db2.gz TWGZHNNXOKLKDU-AWEZNQCLSA-N 1 0 332.404 2.106 10 5 EEBERO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000903589192 1241086025 /nfs/dbraw/zinc/08/60/25/1241086025.db2.gz VFNNAZCZRPHAIZ-UHFFFAOYSA-N 1 0 349.840 2.175 10 5 EEBERO CCOC(=O)c1ccnc(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1[N+](=O)[O-] ZINC001187034531 1279374688 /nfs/dbraw/zinc/37/46/88/1279374688.db2.gz LCDUNKXBGKTPBQ-OLZOCXBDSA-N 1 0 348.403 2.451 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853966981 1292560897 /nfs/dbraw/zinc/56/08/97/1292560897.db2.gz ZLZKADMRJHDUMW-ZDUSSCGKSA-N 1 0 325.796 2.284 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000859591887 1294533095 /nfs/dbraw/zinc/53/30/95/1294533095.db2.gz CCHJYDPDDTZCEK-ZIAGYGMSSA-N 1 0 325.368 2.430 10 5 EEBERO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863031512 1296086241 /nfs/dbraw/zinc/08/62/41/1296086241.db2.gz HLIHMWVWPGVVCX-LLVKDONJSA-N 1 0 336.367 2.063 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@]4(CCOC4)C3)n2)c1 ZINC000840139659 1315306335 /nfs/dbraw/zinc/30/63/35/1315306335.db2.gz ACBVAWOCAGLOML-QGZVFWFLSA-N 1 0 343.387 2.313 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001150119502 1316165504 /nfs/dbraw/zinc/16/55/04/1316165504.db2.gz DVVHMQQUXLMVET-AAEUAGOBSA-N 1 0 333.388 2.206 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001251305940 1317446609 /nfs/dbraw/zinc/44/66/09/1317446609.db2.gz ZKZKVELVVUONEJ-KBPBESRZSA-N 1 0 334.420 2.434 10 5 EEBERO O=C(c1cc([N+](=O)[O-])c[nH]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001299674568 1319893511 /nfs/dbraw/zinc/89/35/11/1319893511.db2.gz LCLZBBTXTXRZIK-PBHICJAKSA-N 1 0 340.383 2.269 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)c1ccsn1 ZINC001280487634 1324251841 /nfs/dbraw/zinc/25/18/41/1324251841.db2.gz FGHIYFJUTFZTTF-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO CN(C)c1cc[nH+]c(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC001288872537 1327968795 /nfs/dbraw/zinc/96/87/95/1327968795.db2.gz SRZXKAYDKNDGQU-UHFFFAOYSA-N 1 0 336.298 2.264 10 5 EEBERO Nc1nccc(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)c1[N+](=O)[O-] ZINC001295930207 1329853642 /nfs/dbraw/zinc/85/36/42/1329853642.db2.gz JJEMTKHHMWQYFE-UHFFFAOYSA-N 1 0 339.355 2.302 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(CF)CCC1 ZINC001317626945 1332335070 /nfs/dbraw/zinc/33/50/70/1332335070.db2.gz BRKVRFJQQQKFLP-UHFFFAOYSA-N 1 0 329.397 2.344 10 5 EEBERO Cc1c[nH]c(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001327269841 1334256503 /nfs/dbraw/zinc/25/65/03/1334256503.db2.gz AVBLRTAMTTWXFS-UHFFFAOYSA-N 1 0 345.403 2.220 10 5 EEBERO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC001330699078 1334888616 /nfs/dbraw/zinc/88/86/16/1334888616.db2.gz YZLKVHJRIHOSDQ-NWDGAFQWSA-N 1 0 333.367 2.397 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001335773371 1336425460 /nfs/dbraw/zinc/42/54/60/1336425460.db2.gz YQBHAHPNXDZXHX-UHFFFAOYSA-N 1 0 347.415 2.308 10 5 EEBERO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001615916164 1352325852 /nfs/dbraw/zinc/32/58/52/1352325852.db2.gz UMYGFIGACORAQA-MRVPVSSYSA-N 1 0 346.790 2.430 10 5 EEBERO CCNc1ccc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001617112885 1352336500 /nfs/dbraw/zinc/33/65/00/1352336500.db2.gz XSHBFYPMZWVVEO-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1nccs1 ZINC001668597140 1355969909 /nfs/dbraw/zinc/96/99/09/1355969909.db2.gz TYATVJUONVQLOV-UHFFFAOYSA-N 1 0 340.430 2.365 10 5 EEBERO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001559306462 1342500755 /nfs/dbraw/zinc/50/07/55/1342500755.db2.gz UXRWFXSGVAURPK-OAHLLOKOSA-N 1 0 347.394 2.280 10 5 EEBERO CC/C(C)=C/C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001566971724 1342670563 /nfs/dbraw/zinc/67/05/63/1342670563.db2.gz CEKHFKZMPYOZIZ-OEBAIATKSA-N 1 0 329.400 2.498 10 5 EEBERO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC001606972885 1351388460 /nfs/dbraw/zinc/38/84/60/1351388460.db2.gz XRIKVGMCQUSXNU-DZGCQCFKSA-N 1 0 334.420 2.268 10 5 EEBERO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)CC(C)C ZINC001628244199 1352527069 /nfs/dbraw/zinc/52/70/69/1352527069.db2.gz XXKZANQONLAJCK-JTQLQIEISA-N 1 0 345.831 2.458 10 5 EEBERO CC[N@@H+]1C[C@H](NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001639266446 1352696208 /nfs/dbraw/zinc/69/62/08/1352696208.db2.gz LQKMWZLIPICIAR-AWEZNQCLSA-N 1 0 339.367 2.203 10 5 EEBERO Cc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cc1C ZINC001665921406 1355409437 /nfs/dbraw/zinc/40/94/37/1355409437.db2.gz KVZQSFNZGLQOEF-IAGOWNOFSA-N 1 0 345.443 2.487 10 5 EEBERO Cc1cncc(C(=O)NC/C=C\C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001668756811 1355998632 /nfs/dbraw/zinc/99/86/32/1355998632.db2.gz LTWWGAXGEJYBLE-PLNGDYQASA-N 1 0 340.383 2.374 10 5 EEBERO CC(F)(F)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001669027819 1356071152 /nfs/dbraw/zinc/07/11/52/1356071152.db2.gz WUWSDARANXGHKQ-SNAWJCMRSA-N 1 0 327.331 2.402 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCOCC1 ZINC001673412436 1356688660 /nfs/dbraw/zinc/68/86/60/1356688660.db2.gz LVKFDTMEGQJDDT-UHFFFAOYSA-N 1 0 349.431 2.302 10 5 EEBERO [NH3+]CC1(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000846691291 790412774 /nfs/dbraw/zinc/41/27/74/790412774.db2.gz GGUPDJHGFZMXKC-UHFFFAOYSA-N 1 0 332.404 2.054 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000818021875 785147811 /nfs/dbraw/zinc/14/78/11/785147811.db2.gz MQDWTMMTRYEBLU-UHFFFAOYSA-N 1 0 344.415 2.163 10 5 EEBERO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000818021944 785147847 /nfs/dbraw/zinc/14/78/47/785147847.db2.gz PPAMVMQWOQQWNH-UHFFFAOYSA-N 1 0 341.770 2.284 10 5 EEBERO O=C(NCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000818990282 785355023 /nfs/dbraw/zinc/35/50/23/785355023.db2.gz WUWKBCBNZHILPC-KRWDZBQOSA-N 1 0 343.383 2.038 10 5 EEBERO CCn1nc(C)c(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000824408245 788144940 /nfs/dbraw/zinc/14/49/40/788144940.db2.gz HNQVMLOLKHCQLI-UHFFFAOYSA-N 1 0 328.376 2.328 10 5 EEBERO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC([NH+]2CCC2)CC1 ZINC000912883738 788461580 /nfs/dbraw/zinc/46/15/80/788461580.db2.gz QOJAQDBIQZSUSE-UHFFFAOYSA-N 1 0 344.415 2.479 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913278446 788738641 /nfs/dbraw/zinc/73/86/41/788738641.db2.gz GSQYXKYIUPACFZ-CALCHBBNSA-N 1 0 333.388 2.017 10 5 EEBERO Cc1c(Br)c(N[C@@H]2C[NH2+]CC2(C)C)ncc1[N+](=O)[O-] ZINC000721951469 797776727 /nfs/dbraw/zinc/77/67/27/797776727.db2.gz BWWOUAZQMMWVHZ-SECBINFHSA-N 1 0 329.198 2.471 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3ncccn3)CC2)cc1 ZINC001460804821 1110324756 /nfs/dbraw/zinc/32/47/56/1110324756.db2.gz CFYPSJGPTXZUJQ-MRXNPFEDSA-N 1 0 328.372 2.298 10 5 EEBERO C[N@@H+]1C[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472029636 1110539414 /nfs/dbraw/zinc/53/94/14/1110539414.db2.gz SUNOOHRBJGRGIE-GFCCVEGCSA-N 1 0 343.330 2.266 10 5 EEBERO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001473629205 1110577788 /nfs/dbraw/zinc/57/77/88/1110577788.db2.gz HQUBNQXJGPKEBG-KSSFIOAISA-N 1 0 348.399 2.385 10 5 EEBERO Cn1nccc1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001473899364 1110585065 /nfs/dbraw/zinc/58/50/65/1110585065.db2.gz MLVHBBVZUFSNGC-AWEZNQCLSA-N 1 0 345.359 2.444 10 5 EEBERO CC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CCOCC1 ZINC001499383461 1112261441 /nfs/dbraw/zinc/26/14/41/1112261441.db2.gz ZWWRSYBFMQZZAS-UHFFFAOYSA-N 1 0 347.415 2.150 10 5 EEBERO CC(C)=CC(=O)N1CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001502852036 1113834225 /nfs/dbraw/zinc/83/42/25/1113834225.db2.gz IKBUJOASMKCMMC-UHFFFAOYSA-N 1 0 347.415 2.004 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC001519930775 1119114919 /nfs/dbraw/zinc/11/49/19/1119114919.db2.gz MYYXJLJRRNMAAQ-RCBQFDQVSA-N 1 0 346.431 2.469 10 5 EEBERO Cc1cc(OCC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC001538547058 1124029332 /nfs/dbraw/zinc/02/93/32/1124029332.db2.gz UKXUZIFQPPWSES-OAHLLOKOSA-N 1 0 349.431 2.471 10 5 EEBERO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)c1cccs1 ZINC001538731444 1124036006 /nfs/dbraw/zinc/03/60/06/1124036006.db2.gz TUAKNVOIEOJFNP-CYBMUJFWSA-N 1 0 334.401 2.271 10 5 EEBERO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001545287325 1124185918 /nfs/dbraw/zinc/18/59/18/1124185918.db2.gz RBYVEDAUGBSEPF-UHFFFAOYSA-N 1 0 348.428 2.443 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1(NC(=O)C2CCCC2)CCCC1 ZINC001567991899 1124219307 /nfs/dbraw/zinc/21/93/07/1124219307.db2.gz KAGGLCKICVHDNM-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO CC1(C(=O)NC/C=C/C[NH2+]Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001568934954 1124966069 /nfs/dbraw/zinc/96/60/69/1124966069.db2.gz ALRKVFOQPOTQQC-SNAWJCMRSA-N 1 0 347.415 2.174 10 5 EEBERO C[NH+](C)[C@H](CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)Cc1ccccc1 ZINC000447675051 242301369 /nfs/dbraw/zinc/30/13/69/242301369.db2.gz JUUKTLDTJMJMEO-HNNXBMFYSA-N 1 0 339.399 2.478 10 5 EEBERO O=[N+]([O-])c1ccc2sc([S@@](=O)C[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092228 218280093 /nfs/dbraw/zinc/28/00/93/218280093.db2.gz MQAMDBRSOMYOLB-JLTPVHFHSA-N 1 0 325.415 2.454 10 5 EEBERO Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000160736229 291938778 /nfs/dbraw/zinc/93/87/78/291938778.db2.gz UJORCARMUIMQJY-LLVKDONJSA-N 1 0 335.385 2.075 10 5 EEBERO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CC[C@H](O)CC1 ZINC000275911725 256387058 /nfs/dbraw/zinc/38/70/58/256387058.db2.gz XHHIXNPMOLPSOF-MQMHXKEQSA-N 1 0 332.360 2.380 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC[C@H](O)CC2)cccc1[N+](=O)[O-] ZINC000275824369 256382957 /nfs/dbraw/zinc/38/29/57/256382957.db2.gz HPRBCAMGPOMUPA-HDJSIYSDSA-N 1 0 335.404 2.467 10 5 EEBERO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065296864 292155203 /nfs/dbraw/zinc/15/52/03/292155203.db2.gz XRAAHKVTDIMFQD-INIZCTEOSA-N 1 0 335.404 2.306 10 5 EEBERO Cc1c(NC(=O)[C@@H](C)N2CCC[N@@H+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000172542681 152091948 /nfs/dbraw/zinc/09/19/48/152091948.db2.gz PLAFQKRSWNNUGF-CQSZACIVSA-N 1 0 346.431 2.400 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000252663556 160393547 /nfs/dbraw/zinc/39/35/47/160393547.db2.gz RSPLKIGAJZJYTO-ZIAGYGMSSA-N 1 0 335.404 2.209 10 5 EEBERO CCOC(=O)c1ccnc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000247491299 160326246 /nfs/dbraw/zinc/32/62/46/160326246.db2.gz WWXIZAOWHDUULI-YPMHNXCESA-N 1 0 336.392 2.307 10 5 EEBERO CO[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1C ZINC000342740208 161086888 /nfs/dbraw/zinc/08/68/88/161086888.db2.gz RATONQXXTRGACD-LRDDRELGSA-N 1 0 349.387 2.250 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000352370389 162108806 /nfs/dbraw/zinc/10/88/06/162108806.db2.gz GLYZGRMLEPNPBS-AWEZNQCLSA-N 1 0 334.420 2.387 10 5 EEBERO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000364316385 165093796 /nfs/dbraw/zinc/09/37/96/165093796.db2.gz LSPHHAFUVPSCEQ-UHFFFAOYSA-N 1 0 327.388 2.486 10 5 EEBERO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000271691392 268851172 /nfs/dbraw/zinc/85/11/72/268851172.db2.gz KIRPIGZSNDRNJV-GFCCVEGCSA-N 1 0 349.412 2.136 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000451536186 273641651 /nfs/dbraw/zinc/64/16/51/273641651.db2.gz PEXKYMKFMQEVCF-GFCCVEGCSA-N 1 0 345.403 2.445 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000274131985 274186601 /nfs/dbraw/zinc/18/66/01/274186601.db2.gz WKDKBRWOEWRKIQ-NXEZZACHSA-N 1 0 333.348 2.004 10 5 EEBERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000186858570 274566026 /nfs/dbraw/zinc/56/60/26/274566026.db2.gz NPVAXBNAGSQLHX-GXFFZTMASA-N 1 0 346.412 2.446 10 5 EEBERO Cc1nc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000095974186 281935673 /nfs/dbraw/zinc/93/56/73/281935673.db2.gz WALFQYYKQRFDFJ-OAHLLOKOSA-N 1 0 334.420 2.379 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(C)cc1[N+](=O)[O-] ZINC000416483897 313234535 /nfs/dbraw/zinc/23/45/35/313234535.db2.gz OTRZMKPXYTYMRL-CYBMUJFWSA-N 1 0 343.449 2.219 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421762955 314158195 /nfs/dbraw/zinc/15/81/95/314158195.db2.gz OXHJVVDPEOCJQW-CQSZACIVSA-N 1 0 335.404 2.052 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000493031114 315859238 /nfs/dbraw/zinc/85/92/38/315859238.db2.gz ICAYUQJZPQNBMI-ZDUSSCGKSA-N 1 0 343.387 2.192 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000539920799 318066142 /nfs/dbraw/zinc/06/61/42/318066142.db2.gz PZRZECOVMDKZER-LLVKDONJSA-N 1 0 343.811 2.071 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCc2nccs2)c1 ZINC000565594354 319196288 /nfs/dbraw/zinc/19/62/88/319196288.db2.gz SAPVCEUOEHBDQQ-CYBMUJFWSA-N 1 0 337.401 2.013 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000567627257 319399231 /nfs/dbraw/zinc/39/92/31/319399231.db2.gz KAYYHJRQLNGZGP-UHFFFAOYSA-N 1 0 335.404 2.152 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NCC[N@H+]1C[C@H]3CC[C@@H](C1)O3)CCCC2 ZINC000574752235 320053818 /nfs/dbraw/zinc/05/38/18/320053818.db2.gz DKAUUPIMWQBXPF-OKILXGFUSA-N 1 0 332.404 2.144 10 5 EEBERO COc1ccc(CC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000577601095 320264950 /nfs/dbraw/zinc/26/49/50/320264950.db2.gz MRXWYPIXJQSHEO-LSDHHAIUSA-N 1 0 347.415 2.137 10 5 EEBERO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1CCO ZINC000339099032 465081439 /nfs/dbraw/zinc/08/14/39/465081439.db2.gz IRNQCBNNALLZDJ-NSHDSACASA-N 1 0 347.337 2.112 10 5 EEBERO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000127841550 462587891 /nfs/dbraw/zinc/58/78/91/462587891.db2.gz GXGSKLJILAMJDC-LSDHHAIUSA-N 1 0 343.387 2.164 10 5 EEBERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000113601544 462606015 /nfs/dbraw/zinc/60/60/15/462606015.db2.gz PRBYXZUVLLEAPA-CZUORRHYSA-N 1 0 332.404 2.015 10 5 EEBERO Cc1cc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000153680501 462677952 /nfs/dbraw/zinc/67/79/52/462677952.db2.gz PKDDMGVXKNVXLW-UHFFFAOYSA-N 1 0 332.364 2.305 10 5 EEBERO CNC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000154946592 462826747 /nfs/dbraw/zinc/82/67/47/462826747.db2.gz HAJFDIDVTYEVBG-ZDUSSCGKSA-N 1 0 346.431 2.408 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000078524540 463124865 /nfs/dbraw/zinc/12/48/65/463124865.db2.gz XGTBOGRJQKNEBP-CYBMUJFWSA-N 1 0 330.388 2.036 10 5 EEBERO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000122633491 463281023 /nfs/dbraw/zinc/28/10/23/463281023.db2.gz OHFNWLPDXQUATK-IUODEOHRSA-N 1 0 335.404 2.406 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000080611652 463336684 /nfs/dbraw/zinc/33/66/84/463336684.db2.gz SBVOIJGADBLDEV-MRXNPFEDSA-N 1 0 332.448 2.367 10 5 EEBERO CC[C@H]([NH2+]CCn1nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 ZINC000161657658 463446578 /nfs/dbraw/zinc/44/65/78/463446578.db2.gz POONTSBMUORTJH-HNNXBMFYSA-N 1 0 341.371 2.145 10 5 EEBERO COCC[N@@H+]1CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000171218002 463816694 /nfs/dbraw/zinc/81/66/94/463816694.db2.gz WOIXZWAHEPINQP-CYBMUJFWSA-N 1 0 348.403 2.002 10 5 EEBERO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000194754732 463923018 /nfs/dbraw/zinc/92/30/18/463923018.db2.gz YMDSEJBQKSETDR-CYBMUJFWSA-N 1 0 335.404 2.454 10 5 EEBERO Cc1c(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000262203671 463971035 /nfs/dbraw/zinc/97/10/35/463971035.db2.gz KSOSBRYDMRBPFI-DHSIGJKJSA-N 1 0 347.415 2.052 10 5 EEBERO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262254673 463983864 /nfs/dbraw/zinc/98/38/64/463983864.db2.gz QMOHYJOFWOZSDB-JCKWVBRZSA-N 1 0 347.415 2.086 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172348226 464060604 /nfs/dbraw/zinc/06/06/04/464060604.db2.gz OFJYPHDRMMYUQG-CYBMUJFWSA-N 1 0 332.404 2.092 10 5 EEBERO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccccc1 ZINC000180134384 464248988 /nfs/dbraw/zinc/24/89/88/464248988.db2.gz IEGQFSWEOYRZCI-PBHICJAKSA-N 1 0 340.383 2.352 10 5 EEBERO CCC[NH+]1CCC(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000181229270 464460166 /nfs/dbraw/zinc/46/01/66/464460166.db2.gz ODHVHQYAABGUDB-UHFFFAOYSA-N 1 0 349.387 2.175 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000175023258 464482405 /nfs/dbraw/zinc/48/24/05/464482405.db2.gz QUTDOAWFABJZKN-OLZOCXBDSA-N 1 0 349.435 2.358 10 5 EEBERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000175358115 464531986 /nfs/dbraw/zinc/53/19/86/464531986.db2.gz ABAGLWZFZLGWAH-HNNXBMFYSA-N 1 0 335.404 2.377 10 5 EEBERO Cc1c(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000182856797 464744238 /nfs/dbraw/zinc/74/42/38/464744238.db2.gz AZOVHGCZLDXUMP-GFCCVEGCSA-N 1 0 349.412 2.401 10 5 EEBERO COc1cc(OC)cc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000177409724 465007273 /nfs/dbraw/zinc/00/72/73/465007273.db2.gz WAMBFEHCSSXHQW-CYBMUJFWSA-N 1 0 346.387 2.298 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593913861 468430773 /nfs/dbraw/zinc/43/07/73/468430773.db2.gz XOLHZOFKFGDYOO-GRDNDAEWSA-N 1 0 347.415 2.262 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000359095890 465375829 /nfs/dbraw/zinc/37/58/29/465375829.db2.gz KOTGWAKHALHMNP-GOEBONIOSA-N 1 0 347.463 2.069 10 5 EEBERO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298872410 465530359 /nfs/dbraw/zinc/53/03/59/465530359.db2.gz LCXAODYGXYHCJX-UHFFFAOYSA-N 1 0 328.372 2.449 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000299228502 465655548 /nfs/dbraw/zinc/65/55/48/465655548.db2.gz QQSSQLWAEVAFIL-UHFFFAOYSA-N 1 0 341.795 2.043 10 5 EEBERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301969164 466069928 /nfs/dbraw/zinc/06/99/28/466069928.db2.gz ZXGFMWPULPLQCQ-OCCSQVGLSA-N 1 0 333.388 2.444 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301969162 466070276 /nfs/dbraw/zinc/07/02/76/466070276.db2.gz ZXGFMWPULPLQCQ-GXTWGEPZSA-N 1 0 333.388 2.444 10 5 EEBERO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)C[C@@H]1C ZINC000349589634 466154883 /nfs/dbraw/zinc/15/48/83/466154883.db2.gz ZFLKDOMPADJMDC-STQMWFEESA-N 1 0 344.419 2.309 10 5 EEBERO CO[C@H](C)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000354425406 466558294 /nfs/dbraw/zinc/55/82/94/466558294.db2.gz BXYOBJMSZULRIJ-CYBMUJFWSA-N 1 0 335.404 2.229 10 5 EEBERO O=C(CN1CC[C@H](Cc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000363775852 466609923 /nfs/dbraw/zinc/60/99/23/466609923.db2.gz HPRNQZYSLOYEKE-OAHLLOKOSA-N 1 0 340.383 2.493 10 5 EEBERO COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423962581 466929999 /nfs/dbraw/zinc/92/99/99/466929999.db2.gz OQWPEFMYFQHMEO-ZIAGYGMSSA-N 1 0 333.388 2.208 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423968092 466931261 /nfs/dbraw/zinc/93/12/61/466931261.db2.gz HQZLSDMYMGUBBN-CABCVRRESA-N 1 0 347.415 2.354 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)co2)cc1 ZINC000425549812 467108933 /nfs/dbraw/zinc/10/89/33/467108933.db2.gz OGSFKNATALVBGW-GFCCVEGCSA-N 1 0 340.343 2.357 10 5 EEBERO CC(C)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000452372136 467362956 /nfs/dbraw/zinc/36/29/56/467362956.db2.gz IQLLFVRFZTYMGM-OAHLLOKOSA-N 1 0 349.431 2.295 10 5 EEBERO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000532388486 468116297 /nfs/dbraw/zinc/11/62/97/468116297.db2.gz LLTKXNGEZAQTSB-MRXNPFEDSA-N 1 0 334.420 2.476 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000589861344 468190998 /nfs/dbraw/zinc/19/09/98/468190998.db2.gz DYVBWKSUYNBFAF-DOTOQJQBSA-N 1 0 342.399 2.178 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000591758867 468515868 /nfs/dbraw/zinc/51/58/68/468515868.db2.gz PQISQRWHRPWXHX-AWEZNQCLSA-N 1 0 337.763 2.173 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000600676438 468617571 /nfs/dbraw/zinc/61/75/71/468617571.db2.gz WAOZDCVWABNRBJ-NWDGAFQWSA-N 1 0 338.383 2.123 10 5 EEBERO O=C1C[C@@H](N2CCC[C@@H](CCF)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000594659655 468645749 /nfs/dbraw/zinc/64/57/49/468645749.db2.gz HABZBQKARQIPBK-SWLSCSKDSA-N 1 0 349.362 2.298 10 5 EEBERO CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597946277 468720976 /nfs/dbraw/zinc/72/09/76/468720976.db2.gz NDFDVBMWBWKELF-LLVKDONJSA-N 1 0 343.330 2.362 10 5 EEBERO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CCC(O)CC1 ZINC000595096031 468758265 /nfs/dbraw/zinc/75/82/65/468758265.db2.gz YRQOSCSGKGFULJ-VEAWUBTESA-N 1 0 335.404 2.453 10 5 EEBERO CCS(=O)(=O)C1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000595107297 468759827 /nfs/dbraw/zinc/75/98/27/468759827.db2.gz WYZHNJSABRCEAN-ZDUSSCGKSA-N 1 0 340.445 2.473 10 5 EEBERO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000601147549 468761721 /nfs/dbraw/zinc/76/17/21/468761721.db2.gz RGLWDTUEYRHGJS-SNVBAGLBSA-N 1 0 347.341 2.412 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1 ZINC000593031355 468845561 /nfs/dbraw/zinc/84/55/61/468845561.db2.gz DQNFNPXBWKTJPW-HNNXBMFYSA-N 1 0 336.388 2.268 10 5 EEBERO CC[N@@H+]1CCCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595536986 468892849 /nfs/dbraw/zinc/89/28/49/468892849.db2.gz ZKWDXTZGXJUZTD-ZDUSSCGKSA-N 1 0 335.404 2.298 10 5 EEBERO Cc1cc(OCC(=O)NCCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000593204067 468903388 /nfs/dbraw/zinc/90/33/88/468903388.db2.gz REJLCUBPJDSHRY-UHFFFAOYSA-N 1 0 337.420 2.376 10 5 EEBERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000598535580 468904671 /nfs/dbraw/zinc/90/46/71/468904671.db2.gz GYVCBUNYRROZAO-INIZCTEOSA-N 1 0 347.415 2.310 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000595635458 468932863 /nfs/dbraw/zinc/93/28/63/468932863.db2.gz VEQZCMGBUKBUTA-UHOFOFEASA-N 1 0 338.404 2.259 10 5 EEBERO COCC[N@@H+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593339513 468943982 /nfs/dbraw/zinc/94/39/82/468943982.db2.gz QDAICKHWYYVDOF-CQSZACIVSA-N 1 0 349.431 2.268 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595746197 468984926 /nfs/dbraw/zinc/98/49/26/468984926.db2.gz UYSWEHKVZXJVBJ-CHWSQXEVSA-N 1 0 335.404 2.181 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)cccc1[N+](=O)[O-] ZINC000595781117 469006259 /nfs/dbraw/zinc/00/62/59/469006259.db2.gz KHEPOYNERRSZAF-GLQYFDAESA-N 1 0 333.388 2.123 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000595837727 469035689 /nfs/dbraw/zinc/03/56/89/469035689.db2.gz SHWWIKJNQWVVKJ-OAHLLOKOSA-N 1 0 347.371 2.202 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000595849942 469043369 /nfs/dbraw/zinc/04/33/69/469043369.db2.gz JQQBGGQQOIVCKO-ZDUSSCGKSA-N 1 0 335.404 2.340 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)[C@H]2CCCO2)o1 ZINC000598990687 469078672 /nfs/dbraw/zinc/07/86/72/469078672.db2.gz QOCUNUCZEJITGV-DOTOQJQBSA-N 1 0 332.356 2.484 10 5 EEBERO C[N@H+](CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)Cc1ccccc1 ZINC000587434186 469089992 /nfs/dbraw/zinc/08/99/92/469089992.db2.gz OQWNAURZRDCLTO-UHFFFAOYSA-N 1 0 330.388 2.213 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000602828909 469103148 /nfs/dbraw/zinc/10/31/48/469103148.db2.gz SYVNAUZZHVJMKW-SLBVQIDZSA-N 1 0 336.436 2.361 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599085506 469111500 /nfs/dbraw/zinc/11/15/00/469111500.db2.gz SIROZQFMZGKVAS-WPGHFRTFSA-N 1 0 333.388 2.469 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000593739078 469118049 /nfs/dbraw/zinc/11/80/49/469118049.db2.gz VIMNNQQLCOXJBA-DXCKQFNASA-N 1 0 335.404 2.019 10 5 EEBERO C[C@](O)(C[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000601967632 469118255 /nfs/dbraw/zinc/11/82/55/469118255.db2.gz VNWJJHYCOWGBKE-ZBFHGGJFSA-N 1 0 342.823 2.292 10 5 EEBERO O=[N+]([O-])c1c2ccncc2ccc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599104762 469120084 /nfs/dbraw/zinc/12/00/84/469120084.db2.gz NOKSKIXRENRQSA-UHFFFAOYSA-N 1 0 342.399 2.444 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000610959532 469124021 /nfs/dbraw/zinc/12/40/21/469124021.db2.gz CWBWRWAQWQUTLZ-LLVKDONJSA-N 1 0 331.294 2.438 10 5 EEBERO COc1cccc(N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596269362 469227704 /nfs/dbraw/zinc/22/77/04/469227704.db2.gz RUKLUVLYRRAAFO-UHFFFAOYSA-N 1 0 335.404 2.295 10 5 EEBERO Cc1cc(NCC2CC[NH+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000596314808 469241216 /nfs/dbraw/zinc/24/12/16/469241216.db2.gz QYCYLOHLQUNUOO-UHFFFAOYSA-N 1 0 334.420 2.601 10 5 EEBERO Cc1cnc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c([N+](=O)[O-])c1 ZINC000596424596 469262907 /nfs/dbraw/zinc/26/29/07/469262907.db2.gz SZZMXHPCMTYSMP-MRXNPFEDSA-N 1 0 342.399 2.477 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599476369 469269786 /nfs/dbraw/zinc/26/97/86/469269786.db2.gz QYLXIVPZNAISCW-VIFPVBQESA-N 1 0 342.193 2.181 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000611761725 469317777 /nfs/dbraw/zinc/31/77/77/469317777.db2.gz SSXUCHGGYDBKMA-CQSZACIVSA-N 1 0 349.387 2.047 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000174255461 534094982 /nfs/dbraw/zinc/09/49/82/534094982.db2.gz YHFXIGPFELSZAC-BBRMVZONSA-N 1 0 334.420 2.261 10 5 EEBERO CNC(=O)[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000776253046 577455821 /nfs/dbraw/zinc/45/58/21/577455821.db2.gz LDOQLOGBGLHZAR-LBPRGKRZSA-N 1 0 344.209 2.218 10 5 EEBERO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000754221837 577802563 /nfs/dbraw/zinc/80/25/63/577802563.db2.gz JASNWJJHCRHRFF-RAXLEYEMSA-N 1 0 343.387 2.395 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000747621338 577947046 /nfs/dbraw/zinc/94/70/46/577947046.db2.gz QPWDILCXAIIJAN-UHFFFAOYSA-N 1 0 341.383 2.290 10 5 EEBERO O=C(CC[NH2+][C@]12C[C@H]1COC21CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000933387836 676654669 /nfs/dbraw/zinc/65/46/69/676654669.db2.gz BPJUTVPAGDRBHA-YVEFUNNKSA-N 1 0 331.372 2.225 10 5 EEBERO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000895678501 684679153 /nfs/dbraw/zinc/67/91/53/684679153.db2.gz VSCPQIFMMNVAHQ-SNVBAGLBSA-N 1 0 328.237 2.285 10 5 EEBERO Cc1c[nH]c(C(=O)NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC001266614183 1176990451 /nfs/dbraw/zinc/99/04/51/1176990451.db2.gz VSSXLVHTKLAELH-UHFFFAOYSA-N 1 0 343.387 2.021 10 5 EEBERO Cc1cc(C(=O)NCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC001481156916 1179948508 /nfs/dbraw/zinc/94/85/08/1179948508.db2.gz HPLTVRZDCBANQN-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)COC(C)(C)C ZINC001268446913 1182622269 /nfs/dbraw/zinc/62/22/69/1182622269.db2.gz XHTPRTDUPUFUIS-UHFFFAOYSA-N 1 0 337.420 2.348 10 5 EEBERO COCCC(=O)N1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001481991894 1183099330 /nfs/dbraw/zinc/09/93/30/1183099330.db2.gz OWGGTFSDWPKRSA-UHFFFAOYSA-N 1 0 349.431 2.350 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ncccc1F ZINC001691529061 1186774212 /nfs/dbraw/zinc/77/42/12/1186774212.db2.gz UNQVPTNBKCFLES-UHFFFAOYSA-N 1 0 338.364 2.052 10 5 EEBERO CCn1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001272126131 1187935977 /nfs/dbraw/zinc/93/59/77/1187935977.db2.gz SYAJIRDGKRKFCK-UHFFFAOYSA-N 1 0 345.403 2.015 10 5 EEBERO COCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001484562909 1191422058 /nfs/dbraw/zinc/42/20/58/1191422058.db2.gz ORIIOVGVYYFMRA-AULYBMBSSA-N 1 0 341.433 2.067 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CCSC1 ZINC000872217143 1198091954 /nfs/dbraw/zinc/09/19/54/1198091954.db2.gz NZSYRRNMGUFSMO-QWHCGFSZSA-N 1 0 326.418 2.067 10 5 EEBERO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000869769797 1200267067 /nfs/dbraw/zinc/26/70/67/1200267067.db2.gz CCNRAWODAXXABB-UHFFFAOYSA-N 1 0 335.404 2.025 10 5 EEBERO CNC(=O)c1ccc(N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000866055385 1201416092 /nfs/dbraw/zinc/41/60/92/1201416092.db2.gz VYTPJLIAGNUEDV-UHFFFAOYSA-N 1 0 346.431 2.267 10 5 EEBERO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCC1(C)C ZINC000866112862 1201435655 /nfs/dbraw/zinc/43/56/55/1201435655.db2.gz MCJCLIQYCMAPFX-UHFFFAOYSA-N 1 0 348.403 2.472 10 5 EEBERO C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCC1(C)C ZINC000866114625 1201436612 /nfs/dbraw/zinc/43/66/12/1201436612.db2.gz MWNJOAAUVJXMRK-UHFFFAOYSA-N 1 0 332.404 2.400 10 5 EEBERO CCOC(=O)c1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000866207531 1201464667 /nfs/dbraw/zinc/46/46/67/1201464667.db2.gz XEIXJYSVZSUXLP-DOMZBBRYSA-N 1 0 333.388 2.302 10 5 EEBERO COCCN1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255947 1201476853 /nfs/dbraw/zinc/47/68/53/1201476853.db2.gz HFLMQOPKUFUZBE-CJNGLKHVSA-N 1 0 339.411 2.365 10 5 EEBERO CO[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000866386288 1201505197 /nfs/dbraw/zinc/50/51/97/1201505197.db2.gz ZKZFNVQIBFGYPS-NORZTCDRSA-N 1 0 326.368 2.306 10 5 EEBERO Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000868363396 1201799300 /nfs/dbraw/zinc/79/93/00/1201799300.db2.gz NGIFEJDNGWMAGU-HNNXBMFYSA-N 1 0 334.420 2.433 10 5 EEBERO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000882478379 1201878251 /nfs/dbraw/zinc/87/82/51/1201878251.db2.gz SFMQMOCUCFKNTC-OAHLLOKOSA-N 1 0 346.431 2.409 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136935404 1202471234 /nfs/dbraw/zinc/47/12/34/1202471234.db2.gz PSDBRLJPHIVMSL-LBPRGKRZSA-N 1 0 341.795 2.089 10 5 EEBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCC4(COC4)O3)CC2)cc1 ZINC000929747217 1206497323 /nfs/dbraw/zinc/49/73/23/1206497323.db2.gz BLZNHDIKKJDWRU-QGZVFWFLSA-N 1 0 348.399 2.386 10 5 EEBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCC4(COC4)O3)CC2)cc1 ZINC000929747213 1206497414 /nfs/dbraw/zinc/49/74/14/1206497414.db2.gz BLZNHDIKKJDWRU-KRWDZBQOSA-N 1 0 348.399 2.386 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@]2(C)C1 ZINC000933736435 1207829722 /nfs/dbraw/zinc/82/97/22/1207829722.db2.gz WITHGSUXWGKESS-DYVFJYSZSA-N 1 0 343.387 2.028 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159081180 1208428697 /nfs/dbraw/zinc/42/86/97/1208428697.db2.gz SPSNSTQJQBSMHG-VIFPVBQESA-N 1 0 342.193 2.181 10 5 EEBERO CNC(=O)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000796610746 1221655927 /nfs/dbraw/zinc/65/59/27/1221655927.db2.gz HAINEKMOLXRZNJ-IAGOWNOFSA-N 1 0 343.383 2.095 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903485776 1240624895 /nfs/dbraw/zinc/62/48/95/1240624895.db2.gz QLLPBYBTYFAGHK-OAHLLOKOSA-N 1 0 332.404 2.106 10 5 EEBERO COc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000903535975 1240836904 /nfs/dbraw/zinc/83/69/04/1240836904.db2.gz URMFHDZJZRFZKT-WDEREUQCSA-N 1 0 333.310 2.315 10 5 EEBERO CC[C@@H]([NH2+]C[C@H](O)CN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001192813895 1282183593 /nfs/dbraw/zinc/18/35/93/1282183593.db2.gz CICWSKMAOIHYOW-UONOGXRCSA-N 1 0 349.353 2.491 10 5 EEBERO Cc1nc(C(=O)NCCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])co1 ZINC001490184684 1291016120 /nfs/dbraw/zinc/01/61/20/1291016120.db2.gz URUJRISKWUKCLW-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cc(F)ncn2)CC1 ZINC000852128858 1292003457 /nfs/dbraw/zinc/00/34/57/1292003457.db2.gz BWKZNCRKXIMCLD-GFCCVEGCSA-N 1 0 331.351 2.407 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852351113 1292097336 /nfs/dbraw/zinc/09/73/36/1292097336.db2.gz IOYUJACGCVMEOH-GZBFAFLISA-N 1 0 326.368 2.390 10 5 EEBERO C/C=C(\C)C(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001273959774 1293383815 /nfs/dbraw/zinc/38/38/15/1293383815.db2.gz UONJHQIJCOMRAM-LZWSPWQCSA-N 1 0 347.415 2.316 10 5 EEBERO Cc1ncc(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC001277014116 1300827747 /nfs/dbraw/zinc/82/77/47/1300827747.db2.gz TZJPSUSCLOFVJF-UHFFFAOYSA-N 1 0 346.412 2.412 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1 ZINC001124025428 1310807263 /nfs/dbraw/zinc/80/72/63/1310807263.db2.gz MWFZVHHLMKKPRZ-RBSFLKMASA-N 1 0 347.415 2.129 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000842870038 1315788466 /nfs/dbraw/zinc/78/84/66/1315788466.db2.gz WWQAJICUBYAXBD-SNVBAGLBSA-N 1 0 349.840 2.352 10 5 EEBERO C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001154879349 1317367314 /nfs/dbraw/zinc/36/73/14/1317367314.db2.gz CBPUWZDRPCEEPV-AWEZNQCLSA-N 1 0 346.431 2.482 10 5 EEBERO CC[N@H+](C)[C@H]1CCN(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001251305941 1317446397 /nfs/dbraw/zinc/44/63/97/1317446397.db2.gz ZKZKVELVVUONEJ-KGLIPLIRSA-N 1 0 334.420 2.434 10 5 EEBERO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCC2(C1)OCCO2 ZINC001203770535 1321957278 /nfs/dbraw/zinc/95/72/78/1321957278.db2.gz GWHHWTWSVWRXLN-RVDMUPIBSA-N 1 0 347.415 2.037 10 5 EEBERO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001291882383 1328343240 /nfs/dbraw/zinc/34/32/40/1328343240.db2.gz KNFLJVZJDATVIP-GFCCVEGCSA-N 1 0 337.807 2.391 10 5 EEBERO CC[N@H+](CCCNC(=O)c1ccnnc1)Cc1cccc([N+](=O)[O-])c1 ZINC001316903467 1331969538 /nfs/dbraw/zinc/96/95/38/1331969538.db2.gz JAYFHVFQSNEQJK-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO CCc1ocnc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001317576466 1332305685 /nfs/dbraw/zinc/30/56/85/1332305685.db2.gz DGMLRFFHXOCYFW-UHFFFAOYSA-N 1 0 332.360 2.007 10 5 EEBERO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC001349775580 1337647095 /nfs/dbraw/zinc/64/70/95/1337647095.db2.gz DALRGJZMTUGVEM-DRZSPHRISA-N 1 0 328.372 2.146 10 5 EEBERO CC(C)(C)[NH2+]CCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001351605002 1337831176 /nfs/dbraw/zinc/83/11/76/1337831176.db2.gz OWFKZOLUSUHZJW-UHFFFAOYSA-N 1 0 337.376 2.473 10 5 EEBERO NC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC001617104722 1352336574 /nfs/dbraw/zinc/33/65/74/1352336574.db2.gz XGNHGIUEZSDYQF-AWEZNQCLSA-N 1 0 341.795 2.008 10 5 EEBERO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC([NH2+][C@H]2CCOC2)C1 ZINC001559290671 1342500379 /nfs/dbraw/zinc/50/03/79/1342500379.db2.gz XRLSTAOORFEXNP-JTQLQIEISA-N 1 0 331.294 2.181 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ncncc2C1 ZINC001654617055 1354153530 /nfs/dbraw/zinc/15/35/30/1354153530.db2.gz VGWXXCLGZXWTOM-UHFFFAOYSA-N 1 0 341.371 2.080 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001655069339 1354164267 /nfs/dbraw/zinc/16/42/67/1354164267.db2.gz KYOQWOGYGXPDQW-JKSUJKDBSA-N 1 0 335.452 2.294 10 5 EEBERO COC1(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001661413284 1354635750 /nfs/dbraw/zinc/63/57/50/1354635750.db2.gz LEZUWQPCJRGXBZ-SHTZXODSSA-N 1 0 347.415 2.291 10 5 EEBERO C[N@H+](CCNC(=O)CCc1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001663276587 1354943549 /nfs/dbraw/zinc/94/35/49/1354943549.db2.gz MRRYYMSDEGGWIL-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO CCCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001698952079 1405182351 /nfs/dbraw/zinc/18/23/51/1405182351.db2.gz PLZAGBLIVPNLCC-HZPDHXFCSA-N 1 0 325.453 2.402 10 5 EEBERO C[C@]1(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[NH+]2CCC1CC2 ZINC000912377176 788150535 /nfs/dbraw/zinc/15/05/35/788150535.db2.gz CUBCSKQLYIPHGL-KRWDZBQOSA-N 1 0 328.372 2.290 10 5 EEBERO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C2(CCCCC2)C1 ZINC001136996016 788440669 /nfs/dbraw/zinc/44/06/69/788440669.db2.gz NHDWNPGCNZPHSX-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO [NH3+][C@@H]1CCc2ccccc2N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923392940 789506675 /nfs/dbraw/zinc/50/66/75/789506675.db2.gz WCGZHVBOYANFHW-CRAIPNDOSA-N 1 0 327.384 2.408 10 5 EEBERO CCO[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C[NH3+] ZINC000846304776 790126739 /nfs/dbraw/zinc/12/67/39/790126739.db2.gz YXYUUHSTXSOYMB-NOZJJQNGSA-N 1 0 342.783 2.076 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000922873579 802092823 /nfs/dbraw/zinc/09/28/23/802092823.db2.gz QDLZBSMKVQBGGS-UHFFFAOYSA-N 1 0 347.415 2.276 10 5 EEBERO NC(=O)c1cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001458221059 1109845668 /nfs/dbraw/zinc/84/56/68/1109845668.db2.gz SSGMCDRTFSTNFZ-CQSZACIVSA-N 1 0 332.404 2.370 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001458571820 1109896026 /nfs/dbraw/zinc/89/60/26/1109896026.db2.gz HUIGTZSALFOJDO-QAPCUYQASA-N 1 0 341.415 2.287 10 5 EEBERO COc1ccc(OCC[N@@H+]2CC[C@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001460857203 1110326253 /nfs/dbraw/zinc/32/62/53/1110326253.db2.gz LFFQBFSLEBVDNC-ZDUSSCGKSA-N 1 0 344.371 2.262 10 5 EEBERO Cc1cnn(C)c1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC001461507116 1110344020 /nfs/dbraw/zinc/34/40/20/1110344020.db2.gz ZPCYELVOZQWNGO-UHFFFAOYSA-N 1 0 326.316 2.075 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001502192963 1113631163 /nfs/dbraw/zinc/63/11/63/1113631163.db2.gz MDQKMJYJGGXNAW-HUUCEWRRSA-N 1 0 339.823 2.286 10 5 EEBERO COCCCC(=O)N1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001506955713 1115003431 /nfs/dbraw/zinc/00/34/31/1115003431.db2.gz QYHURGBTZXZRLG-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+]1C1CCCC1 ZINC001522162340 1119334508 /nfs/dbraw/zinc/33/45/08/1119334508.db2.gz WGDHDHHTWZRSPU-LBPRGKRZSA-N 1 0 332.404 2.266 10 5 EEBERO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001544902904 1124172072 /nfs/dbraw/zinc/17/20/72/1124172072.db2.gz JPTCTXUHFDMSQW-ZIAGYGMSSA-N 1 0 335.404 2.340 10 5 EEBERO [NH3+]C1CCC(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000051694686 214101307 /nfs/dbraw/zinc/10/13/07/214101307.db2.gz HKAYRUPJVQXVIX-UHFFFAOYSA-N 1 0 342.193 2.357 10 5 EEBERO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422916783 285110612 /nfs/dbraw/zinc/11/06/12/285110612.db2.gz FAYGJMQCVBWJOV-ROUUACIJSA-N 1 0 333.432 2.274 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)n1 ZINC000271307500 256231753 /nfs/dbraw/zinc/23/17/53/256231753.db2.gz VVIOJCCLXLPKOQ-UHFFFAOYSA-N 1 0 343.387 2.219 10 5 EEBERO CCOc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000115439492 152023225 /nfs/dbraw/zinc/02/32/25/152023225.db2.gz BRAFTRVQXRWWDL-ZDUSSCGKSA-N 1 0 335.404 2.407 10 5 EEBERO O=[N+]([O-])c1ccc(CN2CCS[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000249049927 160371999 /nfs/dbraw/zinc/37/19/99/160371999.db2.gz XGLYUGLQTVLFAF-OCCSQVGLSA-N 1 0 339.373 2.209 10 5 EEBERO CCOCC[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000105835512 159308930 /nfs/dbraw/zinc/30/89/30/159308930.db2.gz WKPNBCYVBSTIFI-HNNXBMFYSA-N 1 0 337.420 2.016 10 5 EEBERO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000109818949 159353973 /nfs/dbraw/zinc/35/39/73/159353973.db2.gz IREFPPNPYCJXBG-GOSISDBHSA-N 1 0 333.432 2.324 10 5 EEBERO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000154904411 159692546 /nfs/dbraw/zinc/69/25/46/159692546.db2.gz LKMONDGXVWAHLH-ZDUSSCGKSA-N 1 0 346.431 2.408 10 5 EEBERO CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247406210 160323836 /nfs/dbraw/zinc/32/38/36/160323836.db2.gz MYIVMQJVZDYPOA-TZMCWYRMSA-N 1 0 335.404 2.406 10 5 EEBERO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000247425330 160324567 /nfs/dbraw/zinc/32/45/67/160324567.db2.gz OHFNWLPDXQUATK-WFASDCNBSA-N 1 0 335.404 2.406 10 5 EEBERO CCOCC[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000247578801 160329240 /nfs/dbraw/zinc/32/92/40/160329240.db2.gz IDXQTOVGJNZJAX-CYBMUJFWSA-N 1 0 325.384 2.277 10 5 EEBERO C[C@@H](N[C@H](CO)c1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352022429 162033492 /nfs/dbraw/zinc/03/34/92/162033492.db2.gz OSLSGNJMIZXLAG-QMTHXVAHSA-N 1 0 335.385 2.307 10 5 EEBERO C[NH+](C)CCN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C1CC1 ZINC000356304100 163399968 /nfs/dbraw/zinc/39/99/68/163399968.db2.gz UIWPWJMIYVIQBQ-UHFFFAOYSA-N 1 0 343.330 2.362 10 5 EEBERO C[NH+]1CCC(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000359038673 164043340 /nfs/dbraw/zinc/04/33/40/164043340.db2.gz GCZDVALKWPQMNV-UHFFFAOYSA-N 1 0 329.303 2.020 10 5 EEBERO CC(C)(C(=O)N1CC[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000365033193 165357696 /nfs/dbraw/zinc/35/76/96/165357696.db2.gz BMWKUPAVBAEEGZ-UHFFFAOYSA-N 1 0 335.379 2.318 10 5 EEBERO O=C(CC[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369596177 166292099 /nfs/dbraw/zinc/29/20/99/166292099.db2.gz SIJWMFNOTHPQSM-UHFFFAOYSA-N 1 0 342.355 2.082 10 5 EEBERO CCOc1ccc(C(=O)N2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000374379718 167029702 /nfs/dbraw/zinc/02/97/02/167029702.db2.gz HYGSNSSFYMCSCH-CYBMUJFWSA-N 1 0 344.371 2.357 10 5 EEBERO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000375326210 167112958 /nfs/dbraw/zinc/11/29/58/167112958.db2.gz CQAZLVZCKVDMPM-INIZCTEOSA-N 1 0 349.387 2.043 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123005488 222197734 /nfs/dbraw/zinc/19/77/34/222197734.db2.gz BLXZPBLWLPQATP-ZIAGYGMSSA-N 1 0 335.404 2.305 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000275134455 269097042 /nfs/dbraw/zinc/09/70/42/269097042.db2.gz CITPVUXYGWIBIP-SNVBAGLBSA-N 1 0 333.348 2.006 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488065227 273747318 /nfs/dbraw/zinc/74/73/18/273747318.db2.gz NLEJGACLMFVXLW-CYBMUJFWSA-N 1 0 330.388 2.036 10 5 EEBERO COc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000275488933 274251749 /nfs/dbraw/zinc/25/17/49/274251749.db2.gz KIEHZRJXVLUPCY-NSHDSACASA-N 1 0 341.383 2.024 10 5 EEBERO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+]1CCO ZINC000339099031 274353312 /nfs/dbraw/zinc/35/33/12/274353312.db2.gz IRNQCBNNALLZDJ-LLVKDONJSA-N 1 0 347.337 2.112 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278467648 274360259 /nfs/dbraw/zinc/36/02/59/274360259.db2.gz JOJIDCXJUXLUCC-CQSZACIVSA-N 1 0 335.404 2.134 10 5 EEBERO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000362508470 278252620 /nfs/dbraw/zinc/25/26/20/278252620.db2.gz HDBNOCOSDTXEFE-NSHDSACASA-N 1 0 341.358 2.406 10 5 EEBERO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000283969351 293014816 /nfs/dbraw/zinc/01/48/16/293014816.db2.gz MFDHTPKDMHSYOG-UHFFFAOYSA-N 1 0 342.403 2.158 10 5 EEBERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000392969886 312440940 /nfs/dbraw/zinc/44/09/40/312440940.db2.gz UMBQCCBXJFEILU-KCJUWKMLSA-N 1 0 342.193 2.114 10 5 EEBERO Cc1c(NC(=O)N[C@H](C)C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415649282 313160665 /nfs/dbraw/zinc/16/06/65/313160665.db2.gz DBISHVGMHWCACA-ZCFIWIBFSA-N 1 0 331.170 2.134 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000545137261 318203437 /nfs/dbraw/zinc/20/34/37/318203437.db2.gz DUZRJZVKCCKTJG-UHFFFAOYSA-N 1 0 325.384 2.422 10 5 EEBERO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000564884648 319122785 /nfs/dbraw/zinc/12/27/85/319122785.db2.gz KPNNABGSDRUKFZ-NSHDSACASA-N 1 0 341.358 2.358 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000565087476 319147684 /nfs/dbraw/zinc/14/76/84/319147684.db2.gz PAZVKEVPJHXGPQ-BBRMVZONSA-N 1 0 340.420 2.241 10 5 EEBERO Cc1c(Br)c(N[C@@H]2C[NH2+]CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000389794081 323543680 /nfs/dbraw/zinc/54/36/80/323543680.db2.gz NZVCFLRLSMXVDS-VXNVDRBHSA-N 1 0 329.198 2.471 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590631997 468293035 /nfs/dbraw/zinc/29/30/35/468293035.db2.gz OQKDEECAYVNVMY-JTQLQIEISA-N 1 0 331.294 2.438 10 5 EEBERO CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000120693743 463027209 /nfs/dbraw/zinc/02/72/09/463027209.db2.gz SGCAHHUXTSJHHZ-UTDDRVLSSA-N 1 0 333.432 2.385 10 5 EEBERO [NH3+]C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCCCC1 ZINC000122454987 463265811 /nfs/dbraw/zinc/26/58/11/463265811.db2.gz SAQAICKLYHEFAD-UHFFFAOYSA-N 1 0 339.367 2.281 10 5 EEBERO COCC[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000080948190 463371659 /nfs/dbraw/zinc/37/16/59/463371659.db2.gz QPVPRKSJVAQWJI-UHFFFAOYSA-N 1 0 330.388 2.302 10 5 EEBERO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000177767179 463786743 /nfs/dbraw/zinc/78/67/43/463786743.db2.gz ZQEMSRCMMZZATB-MRXNPFEDSA-N 1 0 332.404 2.094 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000194321895 463835922 /nfs/dbraw/zinc/83/59/22/463835922.db2.gz APXQSUTYFCVLLA-INIZCTEOSA-N 1 0 346.362 2.470 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000291961274 464162985 /nfs/dbraw/zinc/16/29/85/464162985.db2.gz OEPAXUZGORTVCP-AWEZNQCLSA-N 1 0 342.399 2.302 10 5 EEBERO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[C@H]1CCC[NH2+]C1 ZINC000237812680 464382935 /nfs/dbraw/zinc/38/29/35/464382935.db2.gz MVQZNZYJNWEGOG-LLVKDONJSA-N 1 0 325.796 2.297 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294648563 464563931 /nfs/dbraw/zinc/56/39/31/464563931.db2.gz VNBTZVRJFKAIKQ-GFCCVEGCSA-N 1 0 343.387 2.057 10 5 EEBERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294648566 464564481 /nfs/dbraw/zinc/56/44/81/464564481.db2.gz VNBTZVRJFKAIKQ-LBPRGKRZSA-N 1 0 343.387 2.057 10 5 EEBERO O=C(CC[NH2+][C@H](CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000183637742 464889356 /nfs/dbraw/zinc/88/93/56/464889356.db2.gz WDDLWIVMWIYGJO-MRXNPFEDSA-N 1 0 329.356 2.247 10 5 EEBERO CCC(CC)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+]1CCCC1 ZINC000347944501 465325656 /nfs/dbraw/zinc/32/56/56/465325656.db2.gz ZWCFRXCQUFSLID-CQSZACIVSA-N 1 0 346.435 2.950 10 5 EEBERO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[C@H]1C[NH+]2CCC1CC2 ZINC000342922981 465391115 /nfs/dbraw/zinc/39/11/15/465391115.db2.gz ZLBOVHHHKOHQGV-HNNXBMFYSA-N 1 0 328.372 2.242 10 5 EEBERO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccncc1[N+](=O)[O-] ZINC000361011779 465701201 /nfs/dbraw/zinc/70/12/01/465701201.db2.gz DBGXLCRZBOBGQI-SFHVURJKSA-N 1 0 342.399 2.063 10 5 EEBERO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000361062794 465740172 /nfs/dbraw/zinc/74/01/72/465740172.db2.gz NBJZSOHNOQGMEQ-ZDUSSCGKSA-N 1 0 327.388 2.444 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000362455677 465754348 /nfs/dbraw/zinc/75/43/48/465754348.db2.gz SSUSZOVUHPOFOB-XJKSGUPXSA-N 1 0 333.388 2.059 10 5 EEBERO COc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000340153965 465823403 /nfs/dbraw/zinc/82/34/03/465823403.db2.gz WZDFIBATVUESCF-CQSZACIVSA-N 1 0 346.387 2.144 10 5 EEBERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000357388707 465998342 /nfs/dbraw/zinc/99/83/42/465998342.db2.gz GNOCOIMJHKWLPK-AWEZNQCLSA-N 1 0 349.435 2.219 10 5 EEBERO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362867549 466085012 /nfs/dbraw/zinc/08/50/12/466085012.db2.gz JMFAZPWLBJVJSA-LLVKDONJSA-N 1 0 341.358 2.216 10 5 EEBERO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594045672 468471210 /nfs/dbraw/zinc/47/12/10/468471210.db2.gz XOFSMEUJIRZLAT-JKSUJKDBSA-N 1 0 335.404 2.495 10 5 EEBERO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000304297984 466277966 /nfs/dbraw/zinc/27/79/66/466277966.db2.gz GOIFKNGBXDILDU-RHSMWYFYSA-N 1 0 332.404 2.024 10 5 EEBERO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000597235806 468491044 /nfs/dbraw/zinc/49/10/44/468491044.db2.gz JGLXLBQNEQLDAU-UHFFFAOYSA-N 1 0 336.388 2.495 10 5 EEBERO C[NH2+]C(C)(C)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347166616 466444213 /nfs/dbraw/zinc/44/42/13/466444213.db2.gz JAMLNPMQRCECGA-UHFFFAOYSA-N 1 0 345.197 2.477 10 5 EEBERO COc1cc(C[NH2+]CCN2CC=C(C)CC2)c([N+](=O)[O-])cc1OC ZINC000358133655 466483709 /nfs/dbraw/zinc/48/37/09/466483709.db2.gz IKTJEXUVQGAQBU-UHFFFAOYSA-N 1 0 335.404 2.354 10 5 EEBERO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000321310647 466620468 /nfs/dbraw/zinc/62/04/68/466620468.db2.gz OLYKETBCKVPPRB-UHFFFAOYSA-N 1 0 341.795 2.043 10 5 EEBERO CC(C)(C)c1ccc(NC(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415687855 466709706 /nfs/dbraw/zinc/70/97/06/466709706.db2.gz BMFODOMLUGKQNM-GFCCVEGCSA-N 1 0 336.392 2.084 10 5 EEBERO CN1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1=O ZINC000424304863 467026881 /nfs/dbraw/zinc/02/68/81/467026881.db2.gz APXYGKXZPWOGTL-CJNGLKHVSA-N 1 0 331.416 2.374 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2CC[NH+](C)C)n1 ZINC000427311438 467150071 /nfs/dbraw/zinc/15/00/71/467150071.db2.gz AYCYBYZMTGLBSH-UHFFFAOYSA-N 1 0 331.376 2.168 10 5 EEBERO CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC12COC2 ZINC000451137556 467248619 /nfs/dbraw/zinc/24/86/19/467248619.db2.gz PIGWBILETZXKLR-JSGCOSHPSA-N 1 0 334.372 2.167 10 5 EEBERO COc1cc(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000428847844 467275084 /nfs/dbraw/zinc/27/50/84/467275084.db2.gz WPKXOQPVCXZXPB-SJKOYZFVSA-N 1 0 343.383 2.351 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000378399146 467291348 /nfs/dbraw/zinc/29/13/48/467291348.db2.gz HBNPXWHFTOZZCV-AWEZNQCLSA-N 1 0 349.435 2.057 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)C1CC1 ZINC000453269346 467473537 /nfs/dbraw/zinc/47/35/37/467473537.db2.gz RDDKRPXMUYOWOC-ROUUACIJSA-N 1 0 347.459 2.352 10 5 EEBERO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000488717750 468098970 /nfs/dbraw/zinc/09/89/70/468098970.db2.gz LGNQJWDURRDTIF-UWVGGRQHSA-N 1 0 346.330 2.408 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000517895071 468100402 /nfs/dbraw/zinc/10/04/02/468100402.db2.gz QFURDKBEHVSQJQ-MRXNPFEDSA-N 1 0 334.376 2.211 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000589501960 468158262 /nfs/dbraw/zinc/15/82/62/468158262.db2.gz LXSNADUBGLEHBL-WFASDCNBSA-N 1 0 335.404 2.296 10 5 EEBERO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000589861357 468190766 /nfs/dbraw/zinc/19/07/66/468190766.db2.gz DYVBWKSUYNBFAF-WBVHZDCISA-N 1 0 342.399 2.178 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)n1 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EEBERO C[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598540008 468906460 /nfs/dbraw/zinc/90/64/60/468906460.db2.gz LASRHBSFNFDARL-YOEHRIQHSA-N 1 0 349.431 2.268 10 5 EEBERO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000572323894 468915636 /nfs/dbraw/zinc/91/56/36/468915636.db2.gz UKSMDUSQXDKGNY-LBPRGKRZSA-N 1 0 345.186 2.249 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595785540 469009469 /nfs/dbraw/zinc/00/94/69/469009469.db2.gz XJGHVHMECSIELH-LSDHHAIUSA-N 1 0 333.388 2.125 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000598888419 469038930 /nfs/dbraw/zinc/03/89/30/469038930.db2.gz KEAKCNVQSWEVMD-UHFFFAOYSA-N 1 0 337.376 2.174 10 5 EEBERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000585814913 469045535 /nfs/dbraw/zinc/04/55/35/469045535.db2.gz RROGRELDRKSBKS-GJZGRUSLSA-N 1 0 334.420 2.296 10 5 EEBERO CCC[N@H+](C)CC(C)(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595872112 469056071 /nfs/dbraw/zinc/05/60/71/469056071.db2.gz BXQKTTYSSTUKPG-UHFFFAOYSA-N 1 0 336.436 2.268 10 5 EEBERO CC1CCC([NH+]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)CC1 ZINC000587979639 469097663 /nfs/dbraw/zinc/09/76/63/469097663.db2.gz YDPXIOLFNLYANL-UHFFFAOYSA-N 1 0 348.447 2.370 10 5 EEBERO Nc1cc(NC2CC[NH+](C3CCCC3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587991898 469100736 /nfs/dbraw/zinc/10/07/36/469100736.db2.gz JFZJXHDGHAEWPD-UHFFFAOYSA-N 1 0 334.420 2.488 10 5 EEBERO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COCCN1C ZINC000599080691 469110210 /nfs/dbraw/zinc/11/02/10/469110210.db2.gz QAODGFUMMMGDGS-KGLIPLIRSA-N 1 0 339.461 2.386 10 5 EEBERO CN(C)CC[N@H+](C)CCCN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599085437 469111221 /nfs/dbraw/zinc/11/12/21/469111221.db2.gz QVCGGGVDPGBPCL-UHFFFAOYSA-N 1 0 345.447 2.463 10 5 EEBERO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000593728659 469111565 /nfs/dbraw/zinc/11/15/65/469111565.db2.gz BIIAQXCNUAOSIV-XYPHTWIQSA-N 1 0 335.404 2.161 10 5 EEBERO O=[N+]([O-])c1cnc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(F)c1 ZINC000596425465 469262273 /nfs/dbraw/zinc/26/22/73/469262273.db2.gz YUMIACRBSZCPBL-HNNXBMFYSA-N 1 0 346.362 2.308 10 5 EEBERO O=[N+]([O-])c1cnc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(F)c1 ZINC000596425472 469262851 /nfs/dbraw/zinc/26/28/51/469262851.db2.gz YUMIACRBSZCPBL-OAHLLOKOSA-N 1 0 346.362 2.308 10 5 EEBERO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c2ncccc12 ZINC000596540916 469297071 /nfs/dbraw/zinc/29/70/71/469297071.db2.gz WGOUUHDSWLBBHX-AWEZNQCLSA-N 1 0 342.399 2.178 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000596565332 469302508 /nfs/dbraw/zinc/30/25/08/469302508.db2.gz GAEBNAXWNUHZEN-CYBMUJFWSA-N 1 0 333.392 2.018 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCO1 ZINC000596569641 469303234 /nfs/dbraw/zinc/30/32/34/469303234.db2.gz ZAUBQXAULPWFLZ-GFCCVEGCSA-N 1 0 328.800 2.190 10 5 EEBERO C[N@@H+]1CCC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610105212 469981331 /nfs/dbraw/zinc/98/13/31/469981331.db2.gz HYEKLWLXPPKWJS-HNNXBMFYSA-N 1 0 334.420 2.311 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000175036706 529304614 /nfs/dbraw/zinc/30/46/14/529304614.db2.gz ZNMTUQTYGUWATN-UONOGXRCSA-N 1 0 333.388 2.302 10 5 EEBERO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000754221836 577802559 /nfs/dbraw/zinc/80/25/59/577802559.db2.gz JASNWJJHCRHRFF-JLHYYAGUSA-N 1 0 343.387 2.395 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000756841738 577851042 /nfs/dbraw/zinc/85/10/42/577851042.db2.gz RZSHVKAFZYKZRE-UHFFFAOYSA-N 1 0 335.339 2.264 10 5 EEBERO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)nc1-c1ccncc1 ZINC000756885016 577852320 /nfs/dbraw/zinc/85/23/20/577852320.db2.gz JSASTGBWMAPGPL-LSDHHAIUSA-N 1 0 343.387 2.312 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928433660 683113352 /nfs/dbraw/zinc/11/33/52/683113352.db2.gz AWPYVXULJNUTBD-WPRPVWTQSA-N 1 0 329.303 2.019 10 5 EEBERO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930582893 684097835 /nfs/dbraw/zinc/09/78/35/684097835.db2.gz KUBWYHHHQZEPJM-UONOGXRCSA-N 1 0 327.425 2.375 10 5 EEBERO O=C1N(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]2CCCCN12 ZINC000895347164 684523212 /nfs/dbraw/zinc/52/32/12/684523212.db2.gz ZZDBAZHFJJXIEN-INIZCTEOSA-N 1 0 332.404 2.017 10 5 EEBERO CCN(CCNC(=O)c1ccnc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001266380769 1176451523 /nfs/dbraw/zinc/45/15/23/1176451523.db2.gz PWYLUFNAAPDBAG-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CC1CC[NH+](CC[C@@H]2CCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001648839968 1176726861 /nfs/dbraw/zinc/72/68/61/1176726861.db2.gz ZSHUBRXMGPLXGD-AWEZNQCLSA-N 1 0 349.435 2.055 10 5 EEBERO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccn1 ZINC001266581827 1176885279 /nfs/dbraw/zinc/88/52/79/1176885279.db2.gz QJNLJQRAGSQOSW-UHFFFAOYSA-N 1 0 340.383 2.384 10 5 EEBERO COCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001266605454 1176944085 /nfs/dbraw/zinc/94/40/85/1176944085.db2.gz JJHXKDMZSRGJCT-HDJSIYSDSA-N 1 0 335.404 2.004 10 5 EEBERO COc1ccccc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480937861 1178931207 /nfs/dbraw/zinc/93/12/07/1178931207.db2.gz VMOOFMNMEQOYOY-UHFFFAOYSA-N 1 0 343.383 2.465 10 5 EEBERO COCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269952449 1184740194 /nfs/dbraw/zinc/74/01/94/1184740194.db2.gz XFGRMTWHEBQREU-SHTZXODSSA-N 1 0 335.404 2.148 10 5 EEBERO Cn1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001482997155 1187976592 /nfs/dbraw/zinc/97/65/92/1187976592.db2.gz LEZLLUYQOKWSIX-IHWYPQMZSA-N 1 0 328.372 2.009 10 5 EEBERO CCc1cc(C(=O)N(CC)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001273274954 1197943355 /nfs/dbraw/zinc/94/33/55/1197943355.db2.gz QYIRPCFKLMTSGM-UHFFFAOYSA-N 1 0 345.403 2.132 10 5 EEBERO CCOC(=O)c1ccnc(N[C@@H]2CCCN(CCF)C2)c1[N+](=O)[O-] ZINC000865927347 1198427556 /nfs/dbraw/zinc/42/75/56/1198427556.db2.gz AMPDDPJSWNQONK-LLVKDONJSA-N 1 0 340.355 2.012 10 5 EEBERO CC[NH+](CC)CCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000810055636 1199227595 /nfs/dbraw/zinc/22/75/95/1199227595.db2.gz VAQWOCWVOCWHGY-UHFFFAOYSA-N 1 0 336.797 2.299 10 5 EEBERO O=C(N[C@@]12CC[N@H+](C1)CCC2)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001132687300 1199928351 /nfs/dbraw/zinc/92/83/51/1199928351.db2.gz UIPHRXWFEQGQLP-KRWDZBQOSA-N 1 0 326.356 2.111 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887938899 1204513803 /nfs/dbraw/zinc/51/38/03/1204513803.db2.gz FJPPYOGZVBIMJW-VKZRIFJHSA-N 1 0 329.400 2.108 10 5 EEBERO Cc1ocnc1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001280795081 1205871017 /nfs/dbraw/zinc/87/10/17/1205871017.db2.gz ZJPWEGCNXSLQTA-UHFFFAOYSA-N 1 0 346.387 2.485 10 5 EEBERO COc1ccc(OCCN[C@@H]2CC[NH2+]C23CCCC3)c([N+](=O)[O-])c1 ZINC000903484501 1240620122 /nfs/dbraw/zinc/62/01/22/1240620122.db2.gz SNXVQGQKUYKKQU-MRXNPFEDSA-N 1 0 335.404 2.247 10 5 EEBERO CC[NH+]1CCN(c2ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc2)CC1 ZINC000851127123 1277484079 /nfs/dbraw/zinc/48/40/79/1277484079.db2.gz JNYLCOQTOKLNPQ-UHFFFAOYSA-N 1 0 335.404 2.041 10 5 EEBERO O=C(CC1CCOCC1)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001273918530 1289837562 /nfs/dbraw/zinc/83/75/62/1289837562.db2.gz HCLJGJOXJIJAIT-UPHRSURJSA-N 1 0 347.415 2.174 10 5 EEBERO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000852561456 1292134785 /nfs/dbraw/zinc/13/47/85/1292134785.db2.gz OEHVOCIOCZWMDF-SZMVWBNQSA-N 1 0 344.415 2.363 10 5 EEBERO O=[N+]([O-])c1cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1Cl ZINC000852706841 1292172640 /nfs/dbraw/zinc/17/26/40/1292172640.db2.gz BKWXWSIXKKRAKC-AWEZNQCLSA-N 1 0 339.823 2.279 10 5 EEBERO COc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])cc1C ZINC000853989972 1292572945 /nfs/dbraw/zinc/57/29/45/1292572945.db2.gz ICGPVJZKCQJZFI-AWEZNQCLSA-N 1 0 337.420 2.459 10 5 EEBERO C[C@]12COC[C@@H]1C[N@H+](Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)C2 ZINC001118594295 1308894012 /nfs/dbraw/zinc/89/40/12/1308894012.db2.gz YAUFTVFSDFXCHX-RDJZCZTQSA-N 1 0 328.372 2.384 10 5 EEBERO NC(=O)c1cc(NC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001164364883 1321362435 /nfs/dbraw/zinc/36/24/35/1321362435.db2.gz QLVMBNAZZQUTBJ-UHFFFAOYSA-N 1 0 341.371 2.170 10 5 EEBERO C[N@H+](CCCNC(=O)c1ccc(F)cn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265829278 1323407952 /nfs/dbraw/zinc/40/79/52/1323407952.db2.gz VWMZZIQMYBEORH-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)ccc1C ZINC001266042426 1323592664 /nfs/dbraw/zinc/59/26/64/1323592664.db2.gz BBUXIZWKTNDRSW-IAGOWNOFSA-N 1 0 333.432 2.297 10 5 EEBERO Cc1cncc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001567477615 1342767036 /nfs/dbraw/zinc/76/70/36/1342767036.db2.gz MOQRSSZJYPOKAE-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO C[C@@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001648138901 1353417977 /nfs/dbraw/zinc/41/79/77/1353417977.db2.gz CIQZMJMTLMSGIF-RISCZKNCSA-N 1 0 329.360 2.243 10 5 EEBERO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1)c1ccc[nH]1 ZINC001673144160 1354128073 /nfs/dbraw/zinc/12/80/73/1354128073.db2.gz LAMCRDCCXNURQQ-UHFFFAOYSA-N 1 0 328.372 2.365 10 5 EEBERO COc1ccc(OCC[N@H+]2Cc3c[nH]nc3C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001655590255 1354179016 /nfs/dbraw/zinc/17/90/16/1354179016.db2.gz XPHXGWBAAYDKSQ-LBPRGKRZSA-N 1 0 346.387 2.400 10 5 EEBERO CC(C)n1nccc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001663189149 1354932791 /nfs/dbraw/zinc/93/27/91/1354932791.db2.gz POZYDVMTMPKASF-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO C/C=C(\C)C(=O)N1CCC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001674066417 1356782783 /nfs/dbraw/zinc/78/27/83/1356782783.db2.gz NPEMFMYBGMRYDS-LZWSPWQCSA-N 1 0 347.415 2.004 10 5 EEBERO O=C(Cc1cscn1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001699664638 1405434649 /nfs/dbraw/zinc/43/46/49/1405434649.db2.gz NYWMTOKKHSMXNU-UHFFFAOYSA-N 1 0 346.412 2.032 10 5 EEBERO Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819209186 785472099 /nfs/dbraw/zinc/47/20/99/785472099.db2.gz VADNUMDWWHXDSI-QGZVFWFLSA-N 1 0 332.404 2.201 10 5 EEBERO CC(C)[N@@H+]1CCC[C@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001136669249 787557756 /nfs/dbraw/zinc/55/77/56/787557756.db2.gz WKICNRTUZOUSLV-AWEZNQCLSA-N 1 0 335.404 2.210 10 5 EEBERO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501106 788208451 /nfs/dbraw/zinc/20/84/51/788208451.db2.gz DBFGJOHCMSGMRK-CABCVRRESA-N 1 0 325.796 2.153 10 5 EEBERO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C[NH3+] ZINC000923411510 789518425 /nfs/dbraw/zinc/51/84/25/789518425.db2.gz MPAWSPNWYMMKGJ-MWLCHTKSSA-N 1 0 328.210 2.384 10 5 EEBERO O=C(C[NH2+][C@H]1CCOCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC001176966136 798661574 /nfs/dbraw/zinc/66/15/74/798661574.db2.gz UVNYNXIPQIBGDQ-HNNXBMFYSA-N 1 0 333.388 2.472 10 5 EEBERO C[NH+](C)C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000823684432 798758326 /nfs/dbraw/zinc/75/83/26/798758326.db2.gz UIIQECGEOFHJCD-ZDUSSCGKSA-N 1 0 333.310 2.116 10 5 EEBERO Cc1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1Br ZINC000804363005 804956395 /nfs/dbraw/zinc/95/63/95/804956395.db2.gz BPJNWNYPHIXOEY-AOOOYVTPSA-N 1 0 326.194 2.321 10 5 EEBERO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000788920246 807761535 /nfs/dbraw/zinc/76/15/35/807761535.db2.gz QBFZBYDSJPIXJB-LLVKDONJSA-N 1 0 349.478 2.301 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC001545905267 1089200142 /nfs/dbraw/zinc/20/01/42/1089200142.db2.gz VVCGHZFDATWWTN-DYVFJYSZSA-N 1 0 344.415 2.387 10 5 EEBERO COC(=O)c1cc(NC(=O)C23CCC[NH+](CCC2)C3)cc([N+](=O)[O-])c1 ZINC001444675818 1099518806 /nfs/dbraw/zinc/51/88/06/1099518806.db2.gz WIBRHYLAOQNOKV-UHFFFAOYSA-N 1 0 347.371 2.196 10 5 EEBERO CC(C)C[C@@H](CO)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001459980931 1110252485 /nfs/dbraw/zinc/25/24/85/1110252485.db2.gz XCVFPBRMQBOVDG-LBPRGKRZSA-N 1 0 334.376 2.484 10 5 EEBERO C[NH+](C)[C@@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])C12CCC2 ZINC001470564669 1110507932 /nfs/dbraw/zinc/50/79/32/1110507932.db2.gz GPJKSKVGXMVXNJ-JKSUJKDBSA-N 1 0 346.431 2.386 10 5 EEBERO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC001473602454 1110577335 /nfs/dbraw/zinc/57/73/35/1110577335.db2.gz RCCQHRXOFJHNCL-MNOVXSKESA-N 1 0 330.344 2.347 10 5 EEBERO CC(C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCOCC1 ZINC001500558837 1112945060 /nfs/dbraw/zinc/94/50/60/1112945060.db2.gz ANVPBSKVJGLYOT-UHFFFAOYSA-N 1 0 341.433 2.067 10 5 EEBERO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cocn1 ZINC001505801780 1114200980 /nfs/dbraw/zinc/20/09/80/1114200980.db2.gz RUVSFKBWAMAILS-UHFFFAOYSA-N 1 0 346.387 2.471 10 5 EEBERO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001519930346 1119114815 /nfs/dbraw/zinc/11/48/15/1119114815.db2.gz IRSNGUCAZHEYGX-UAGQMJEPSA-N 1 0 346.431 2.119 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)n1 ZINC001537990069 1124018349 /nfs/dbraw/zinc/01/83/49/1124018349.db2.gz FFHIZXGXTQDBTM-ZDUSSCGKSA-N 1 0 341.371 2.044 10 5 EEBERO C[NH2+]Cc1cnn(Cc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000054719184 214252956 /nfs/dbraw/zinc/25/29/56/214252956.db2.gz LUOFAZPRNOFPDL-UHFFFAOYSA-N 1 0 325.166 2.322 10 5 EEBERO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000066835953 215085079 /nfs/dbraw/zinc/08/50/79/215085079.db2.gz ZVBYDVLFKRUVQH-CYBMUJFWSA-N 1 0 349.387 2.117 10 5 EEBERO CN(c1ncnc(N2CCCCCC2)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000040610141 213358089 /nfs/dbraw/zinc/35/80/89/213358089.db2.gz RJBQWBSSTZCHAZ-UHFFFAOYSA-N 1 0 348.451 2.296 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000191703966 237266993 /nfs/dbraw/zinc/26/69/93/237266993.db2.gz VWKBCIXYHWDJBD-OLZOCXBDSA-N 1 0 349.435 2.194 10 5 EEBERO [NH3+][C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000228551987 283579766 /nfs/dbraw/zinc/57/97/66/283579766.db2.gz YYAQSRFZIBYVMI-HLUHBDAQSA-N 1 0 341.209 2.316 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451589544 243169099 /nfs/dbraw/zinc/16/90/99/243169099.db2.gz VSZDPDPOBONGJQ-UPJWGTAASA-N 1 0 349.387 2.243 10 5 EEBERO NC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000271234821 256222907 /nfs/dbraw/zinc/22/29/07/256222907.db2.gz AVIOBMJRQPXCPA-NSHDSACASA-N 1 0 330.344 2.097 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000119735910 221388931 /nfs/dbraw/zinc/38/89/31/221388931.db2.gz LPFDFZRIXIEJDY-INIZCTEOSA-N 1 0 334.420 2.311 10 5 EEBERO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000068346251 292162259 /nfs/dbraw/zinc/16/22/59/292162259.db2.gz SRGHNPGMKYAQMV-UHFFFAOYSA-N 1 0 347.462 2.199 10 5 EEBERO C[NH2+][C@H](C)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000261591117 160399960 /nfs/dbraw/zinc/39/99/60/160399960.db2.gz VBKQOMJPCGOWBF-SSDOTTSWSA-N 1 0 335.145 2.219 10 5 EEBERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079561332 159134050 /nfs/dbraw/zinc/13/40/50/159134050.db2.gz OHRHXJBETYEJCS-CQSZACIVSA-N 1 0 334.420 2.022 10 5 EEBERO O=C(CCOc1ccccc1[N+](=O)[O-])N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186556178 160076207 /nfs/dbraw/zinc/07/62/07/160076207.db2.gz RNUYSDBHGYQPPA-CYBMUJFWSA-N 1 0 333.388 2.107 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000194520782 160195663 /nfs/dbraw/zinc/19/56/63/160195663.db2.gz IHNNPCXMLPIYIE-QGZVFWFLSA-N 1 0 343.339 2.427 10 5 EEBERO CO[C@H](C)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000343518995 161142986 /nfs/dbraw/zinc/14/29/86/161142986.db2.gz CIRJJIKSHXEOMG-ZIAGYGMSSA-N 1 0 326.393 2.080 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000354877259 163000235 /nfs/dbraw/zinc/00/02/35/163000235.db2.gz AAJMDIOPUPJFSR-UHFFFAOYSA-N 1 0 349.435 2.219 10 5 EEBERO CCOc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000356914937 163578613 /nfs/dbraw/zinc/57/86/13/163578613.db2.gz ILAUMAIAGDSCAV-UHFFFAOYSA-N 1 0 335.404 2.455 10 5 EEBERO Cc1ccc([C@H](C)NC(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000375221867 167090623 /nfs/dbraw/zinc/09/06/23/167090623.db2.gz HHLOXKZGIUWZPP-ZDUSSCGKSA-N 1 0 332.404 2.454 10 5 EEBERO COCC[NH+]1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000122775431 222155221 /nfs/dbraw/zinc/15/52/21/222155221.db2.gz RVYQPSNSFVXCHZ-UHFFFAOYSA-N 1 0 327.356 2.265 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000123164011 222227908 /nfs/dbraw/zinc/22/79/08/222227908.db2.gz SPZZYOWRJROEQC-JQWIXIFHSA-N 1 0 336.348 2.058 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171585101 227154117 /nfs/dbraw/zinc/15/41/17/227154117.db2.gz ORSLZMJXZCQHFH-OAHLLOKOSA-N 1 0 344.415 2.115 10 5 EEBERO CCC(=O)c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000280016962 269322108 /nfs/dbraw/zinc/32/21/08/269322108.db2.gz JNSDXGXILBTMKY-AWEZNQCLSA-N 1 0 335.404 2.446 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280572567 269374746 /nfs/dbraw/zinc/37/47/46/269374746.db2.gz SBIZSIAVNJDEPV-QGZVFWFLSA-N 1 0 336.388 2.373 10 5 EEBERO CCOCC[N@@H+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@@H]1CC ZINC000188555121 276323569 /nfs/dbraw/zinc/32/35/69/276323569.db2.gz KWJYQHSWEQYCBZ-AWEZNQCLSA-N 1 0 348.447 2.500 10 5 EEBERO CCC[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)CC1 ZINC000283525330 292956031 /nfs/dbraw/zinc/95/60/31/292956031.db2.gz QYZFSUOASWWIML-UHFFFAOYSA-N 1 0 344.419 2.405 10 5 EEBERO O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3ccco3)[NH+]3CCCC3)nn21 ZINC000301842284 294901659 /nfs/dbraw/zinc/90/16/59/294901659.db2.gz QCKZINDHTIFEQC-LBPRGKRZSA-N 1 0 342.359 2.480 10 5 EEBERO Cn1ccnc1[C@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423358851 303003689 /nfs/dbraw/zinc/00/36/89/303003689.db2.gz OCAKTFNOZAQZDR-GDBMZVCRSA-N 1 0 329.404 2.149 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000159849686 311347009 /nfs/dbraw/zinc/34/70/09/311347009.db2.gz GUTUOXKMZDBHFW-INIZCTEOSA-N 1 0 335.404 2.180 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414551256 313039203 /nfs/dbraw/zinc/03/92/03/313039203.db2.gz FCHFKNRLLYEPNW-UHFFFAOYSA-N 1 0 326.418 2.208 10 5 EEBERO CCOC(=O)c1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425288230 314373030 /nfs/dbraw/zinc/37/30/30/314373030.db2.gz UDKDIYHYAOTOEG-BLLLJJGKSA-N 1 0 333.388 2.302 10 5 EEBERO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(=O)[nH]n1 ZINC000558164254 318703182 /nfs/dbraw/zinc/70/31/82/318703182.db2.gz AHPNCSGEUCQHSU-SNVBAGLBSA-N 1 0 327.344 2.465 10 5 EEBERO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000578360361 320310202 /nfs/dbraw/zinc/31/02/02/320310202.db2.gz GLJIQGYWRPJEER-KCXAZCMYSA-N 1 0 333.388 2.011 10 5 EEBERO CC(=O)N[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000153945093 462711292 /nfs/dbraw/zinc/71/12/92/462711292.db2.gz KZIBBDBFPBPEHF-GFCCVEGCSA-N 1 0 343.330 2.297 10 5 EEBERO COc1cc(C[NH2+][C@H](C)[C@H](C)CO)c([N+](=O)[O-])cc1OC(F)F ZINC000077423133 462983701 /nfs/dbraw/zinc/98/37/01/462983701.db2.gz GPZYNPJHMYUCEW-RKDXNWHRSA-N 1 0 334.319 2.311 10 5 EEBERO O=C(NCCCC[NH+]1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136447491 463241914 /nfs/dbraw/zinc/24/19/14/463241914.db2.gz OSEJHTBQAYUBHL-UHFFFAOYSA-N 1 0 341.795 2.090 10 5 EEBERO C[C@]1(CNc2ncc([N+](=O)[O-])c(N)n2)CCC[N@@H+]1Cc1ccccc1 ZINC000160794764 463371831 /nfs/dbraw/zinc/37/18/31/463371831.db2.gz BLECDSMZVSNVBT-QGZVFWFLSA-N 1 0 342.403 2.434 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150842759 463437676 /nfs/dbraw/zinc/43/76/76/463437676.db2.gz JZLZYMZMDVEEEY-AWEZNQCLSA-N 1 0 332.404 2.389 10 5 EEBERO Cc1c([C@H](C)[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000164918875 463636810 /nfs/dbraw/zinc/63/68/10/463636810.db2.gz GSUNOOGNEQYNAP-YOEHRIQHSA-N 1 0 349.431 2.437 10 5 EEBERO C[NH+](C)[C@H]1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000170864145 463726934 /nfs/dbraw/zinc/72/69/34/463726934.db2.gz PUEQGMHPHAHGRU-ZDUSSCGKSA-N 1 0 346.412 2.494 10 5 EEBERO O=C1CCc2cc([N+](=O)[O-])c(NCCCC[NH+]3CCOCC3)cc2N1 ZINC000194009411 463771475 /nfs/dbraw/zinc/77/14/75/463771475.db2.gz LUMQPRLMZVIAHK-UHFFFAOYSA-N 1 0 348.403 2.004 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000194321909 463836449 /nfs/dbraw/zinc/83/64/49/463836449.db2.gz APXQSUTYFCVLLA-MRXNPFEDSA-N 1 0 346.362 2.470 10 5 EEBERO O=[N+]([O-])c1ccc2[nH]c(N3CCC(C[NH+]4CCOCC4)CC3)nc2c1 ZINC000277708754 463925283 /nfs/dbraw/zinc/92/52/83/463925283.db2.gz GAHSJGHLIVBIII-UHFFFAOYSA-N 1 0 345.403 2.020 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279192746 464058377 /nfs/dbraw/zinc/05/83/77/464058377.db2.gz LRWMIEHBYNOTJV-LLVKDONJSA-N 1 0 340.399 2.260 10 5 EEBERO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000179220809 464085425 /nfs/dbraw/zinc/08/54/25/464085425.db2.gz QQCRHTFNYCIKBX-DZGCQCFKSA-N 1 0 343.387 2.056 10 5 EEBERO COc1ccc(OCC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173525498 464276218 /nfs/dbraw/zinc/27/62/18/464276218.db2.gz UYBICOMAETYGAQ-ZIAGYGMSSA-N 1 0 337.420 2.397 10 5 EEBERO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000173654133 464301319 /nfs/dbraw/zinc/30/13/19/464301319.db2.gz FVAZTOOEQDQVNV-LSDHHAIUSA-N 1 0 334.376 2.281 10 5 EEBERO COc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000294335396 464470053 /nfs/dbraw/zinc/47/00/53/464470053.db2.gz FDGYWWDNFCNWEG-LLVKDONJSA-N 1 0 339.367 2.347 10 5 EEBERO CC(C)Oc1cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591083820 468406069 /nfs/dbraw/zinc/40/60/69/468406069.db2.gz VJEANMDGGXWXMH-ZFWWWQNUSA-N 1 0 333.388 2.158 10 5 EEBERO C[C@H]1C[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000272220849 464523483 /nfs/dbraw/zinc/52/34/83/464523483.db2.gz KNJGYRTWIMKSLS-ONGXEEELSA-N 1 0 349.416 2.154 10 5 EEBERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295105817 464707258 /nfs/dbraw/zinc/70/72/58/464707258.db2.gz XTRDIDLBMLJBSA-WDEREUQCSA-N 1 0 339.367 2.297 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000265919131 464733335 /nfs/dbraw/zinc/73/33/35/464733335.db2.gz BRQBOXUXZWSWRU-HIFRSBDPSA-N 1 0 344.415 2.491 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266746626 464806970 /nfs/dbraw/zinc/80/69/70/464806970.db2.gz GCQLBDLZONTYTQ-UKRRQHHQSA-N 1 0 334.420 2.261 10 5 EEBERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000176989908 464901088 /nfs/dbraw/zinc/90/10/88/464901088.db2.gz XGRBULVDTDGHPF-CQSZACIVSA-N 1 0 335.404 2.306 10 5 EEBERO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000184014614 464937608 /nfs/dbraw/zinc/93/76/08/464937608.db2.gz INQLBMDENAOKHO-HNNXBMFYSA-N 1 0 329.404 2.392 10 5 EEBERO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000593919281 468433793 /nfs/dbraw/zinc/43/37/93/468433793.db2.gz PSSRLQYLXHWJDV-HYVNUMGLSA-N 1 0 347.415 2.025 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000330492323 465680363 /nfs/dbraw/zinc/68/03/63/465680363.db2.gz QTBQPEWRZQAPFL-CYBMUJFWSA-N 1 0 341.433 2.056 10 5 EEBERO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000366598049 465825706 /nfs/dbraw/zinc/82/57/06/465825706.db2.gz NFEJREREMOWTCY-BBRMVZONSA-N 1 0 340.383 2.383 10 5 EEBERO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035704 468468259 /nfs/dbraw/zinc/46/82/59/468468259.db2.gz SUADDCBADSYSMU-UHFFFAOYSA-N 1 0 340.286 2.245 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000302514871 466149886 /nfs/dbraw/zinc/14/98/86/466149886.db2.gz UWHAETHOEOZFKY-NSHDSACASA-N 1 0 341.383 2.024 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC(CO)(CO)C3)o2)c1 ZINC000597219205 468483367 /nfs/dbraw/zinc/48/33/67/468483367.db2.gz NMAVHEHHCYCBMP-UHFFFAOYSA-N 1 0 332.356 2.032 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423408761 466742191 /nfs/dbraw/zinc/74/21/91/466742191.db2.gz XXLNHONINMFHIE-UHOFOFEASA-N 1 0 329.404 2.005 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423997396 466943791 /nfs/dbraw/zinc/94/37/91/466943791.db2.gz LMHHJEFCWJKHAK-INIZCTEOSA-N 1 0 326.356 2.085 10 5 EEBERO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418610107 467135613 /nfs/dbraw/zinc/13/56/13/467135613.db2.gz FNOJFWDHHZMWOW-WBMJQRKESA-N 1 0 332.404 2.267 10 5 EEBERO C[NH+](C)CCN(Cc1ccccn1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450394176 467841651 /nfs/dbraw/zinc/84/16/51/467841651.db2.gz RPRWQKBZWBQGSU-UHFFFAOYSA-N 1 0 340.387 2.434 10 5 EEBERO COc1ncccc1CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589326440 468142908 /nfs/dbraw/zinc/14/29/08/468142908.db2.gz OURAMWFOJJENDJ-UHFFFAOYSA-N 1 0 345.355 2.102 10 5 EEBERO C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589530579 468159966 /nfs/dbraw/zinc/15/99/66/468159966.db2.gz REDDZXWVQHAJDL-MRXNPFEDSA-N 1 0 330.388 2.219 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590447246 468259101 /nfs/dbraw/zinc/25/91/01/468259101.db2.gz WOMMPLDOXWBMBF-ZANVPECISA-N 1 0 343.305 2.390 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NC[C@@H](O)C[NH+]1CCCCC1)CCCC2 ZINC000591896736 468553632 /nfs/dbraw/zinc/55/36/32/468553632.db2.gz QLVSHJKMKHWSEZ-CQSZACIVSA-N 1 0 334.420 2.127 10 5 EEBERO COc1cc(N2CCOC3(CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000591993861 468593177 /nfs/dbraw/zinc/59/31/77/468593177.db2.gz YLZVSTNCQHNLQI-UHFFFAOYSA-N 1 0 339.367 2.044 10 5 EEBERO CCN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000597946974 468721156 /nfs/dbraw/zinc/72/11/56/468721156.db2.gz UJQWOFHACAONLS-MRXNPFEDSA-N 1 0 334.420 2.340 10 5 EEBERO CS(=O)(=O)CC1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000594953324 468729893 /nfs/dbraw/zinc/72/98/93/468729893.db2.gz RSWBAJVNMRQILM-GQCTYLIASA-N 1 0 338.429 2.413 10 5 EEBERO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033608 468746563 /nfs/dbraw/zinc/74/65/63/468746563.db2.gz GZRVPXGNAHHAIR-UKRRQHHQSA-N 1 0 337.420 2.365 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595226644 468788677 /nfs/dbraw/zinc/78/86/77/468788677.db2.gz XLZSVLOQJYINNG-WMLDXEAASA-N 1 0 347.415 2.354 10 5 EEBERO Nc1nccc([C@@H]2CCCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595461341 468861835 /nfs/dbraw/zinc/86/18/35/468861835.db2.gz MIXIHKIYKKCQFC-LLVKDONJSA-N 1 0 331.351 2.486 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593077738 468861980 /nfs/dbraw/zinc/86/19/80/468861980.db2.gz QGHIPJYBODWPLP-UHFFFAOYSA-N 1 0 331.376 2.107 10 5 EEBERO Cc1cc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601433449 468871724 /nfs/dbraw/zinc/87/17/24/468871724.db2.gz CFZNDWFVFLWLMH-UHFFFAOYSA-N 1 0 347.462 2.117 10 5 EEBERO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598535563 468904794 /nfs/dbraw/zinc/90/47/94/468904794.db2.gz GQHRQFGZKHHPQM-INIZCTEOSA-N 1 0 347.415 2.310 10 5 EEBERO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601554911 468916203 /nfs/dbraw/zinc/91/62/03/468916203.db2.gz AWEGXALBRPOTJA-WFASDCNBSA-N 1 0 335.429 2.287 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595742732 468983365 /nfs/dbraw/zinc/98/33/65/468983365.db2.gz KTFJFZHSHFGJKF-CHWSQXEVSA-N 1 0 335.404 2.181 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595754416 468991116 /nfs/dbraw/zinc/99/11/16/468991116.db2.gz BCYRXULMMBBCQO-HIFRSBDPSA-N 1 0 326.368 2.406 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@@H]1CCC[N@H+]1CCCO ZINC000593474834 468996967 /nfs/dbraw/zinc/99/69/67/468996967.db2.gz BFULCWOZXWZALY-AWEZNQCLSA-N 1 0 330.388 2.402 10 5 EEBERO COc1cc(CN2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000595905320 469074813 /nfs/dbraw/zinc/07/48/13/469074813.db2.gz BOSVNBUWCFEATN-OAHLLOKOSA-N 1 0 337.420 2.146 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000595923998 469085708 /nfs/dbraw/zinc/08/57/08/469085708.db2.gz DNHWESGKCWPQRA-LBPRGKRZSA-N 1 0 344.375 2.062 10 5 EEBERO O=C(NCC12CC(C1)C[NH2+]2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000595950808 469096214 /nfs/dbraw/zinc/09/62/14/469096214.db2.gz MYKQCDRMKURPIL-UHFFFAOYSA-N 1 0 344.396 2.200 10 5 EEBERO CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596069474 469138520 /nfs/dbraw/zinc/13/85/20/469138520.db2.gz KQFRROPTKQHOPN-IHRRRGAJSA-N 1 0 338.404 2.270 10 5 EEBERO CN(C)CC[N@H+](C)CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000563034493 469145527 /nfs/dbraw/zinc/14/55/27/469145527.db2.gz BBEWSGXBTIEUBW-UHFFFAOYSA-N 1 0 335.452 2.164 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC4(C[NH2+]C4)C3)s2)cc1 ZINC000596103215 469156225 /nfs/dbraw/zinc/15/62/25/469156225.db2.gz CYBPAEKEGHGXMK-UHFFFAOYSA-N 1 0 345.424 2.498 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602988036 469209318 /nfs/dbraw/zinc/20/93/18/469209318.db2.gz ZCXLUIMJCQUXER-GXFFZTMASA-N 1 0 334.294 2.076 10 5 EEBERO COC(=O)c1cnc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000599425518 469251366 /nfs/dbraw/zinc/25/13/66/469251366.db2.gz KVVFIHKACKLIJC-UHFFFAOYSA-N 1 0 330.344 2.196 10 5 EEBERO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000596496868 469284583 /nfs/dbraw/zinc/28/45/83/469284583.db2.gz IEYVMZJZXYHROL-OAHLLOKOSA-N 1 0 336.392 2.169 10 5 EEBERO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c(OC)c1 ZINC000599599005 469304370 /nfs/dbraw/zinc/30/43/70/469304370.db2.gz DJSLLQZBCPCAGG-LBPRGKRZSA-N 1 0 347.371 2.125 10 5 EEBERO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000602594506 469377640 /nfs/dbraw/zinc/37/76/40/469377640.db2.gz QLDIBYCOKSJLLG-PSASIEDQSA-N 1 0 342.193 2.024 10 5 EEBERO C[N@@H+]1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000604198339 469462444 /nfs/dbraw/zinc/46/24/44/469462444.db2.gz GXLUSSMNZFCAFS-OAHLLOKOSA-N 1 0 346.431 2.022 10 5 EEBERO C[NH+](C)CCn1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000609503186 469933463 /nfs/dbraw/zinc/93/34/63/469933463.db2.gz CUAKBVRLMHMXEG-UHFFFAOYSA-N 1 0 337.767 2.259 10 5 EEBERO CN(C)C[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276956 577456488 /nfs/dbraw/zinc/45/64/88/577456488.db2.gz MIVXJMODZMMLMV-PKOBYXMFSA-N 1 0 343.427 2.391 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760552925 577665549 /nfs/dbraw/zinc/66/55/49/577665549.db2.gz SQNAMAAXXFRQDV-NSHDSACASA-N 1 0 345.346 2.089 10 5 EEBERO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)cc1 ZINC000895678497 684679149 /nfs/dbraw/zinc/67/91/49/684679149.db2.gz VSCPQIFMMNVAHQ-JTQLQIEISA-N 1 0 328.237 2.285 10 5 EEBERO CCc1cccnc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001266754431 1177355690 /nfs/dbraw/zinc/35/56/90/1177355690.db2.gz POMZKORZNNPLEF-UHFFFAOYSA-N 1 0 348.428 2.476 10 5 EEBERO Cc1ncoc1C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001691205557 1177712265 /nfs/dbraw/zinc/71/22/65/1177712265.db2.gz YLTKEECHXGAURC-UHFFFAOYSA-N 1 0 344.371 2.286 10 5 EEBERO CC(C)n1cc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001480935661 1178878180 /nfs/dbraw/zinc/87/81/80/1178878180.db2.gz JFNXTTQEZWZGFB-UHFFFAOYSA-N 1 0 345.403 2.234 10 5 EEBERO O=C(CCC(F)F)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001269451560 1184278850 /nfs/dbraw/zinc/27/88/50/1184278850.db2.gz RUTVWMQJAYDKJV-UHFFFAOYSA-N 1 0 327.331 2.379 10 5 EEBERO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001299259036 1193431265 /nfs/dbraw/zinc/43/12/65/1193431265.db2.gz PAZALEOVZCHBCX-UHFFFAOYSA-N 1 0 340.811 2.435 10 5 EEBERO CN(CC[N@H+](C)Cc1cccc(C(F)F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272013612 1186957285 /nfs/dbraw/zinc/95/72/85/1186957285.db2.gz NJJPFZYFRGXXBC-ZIAGYGMSSA-N 1 0 341.358 2.180 10 5 EEBERO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1COCCN1C ZINC000872090166 1198044343 /nfs/dbraw/zinc/04/43/43/1198044343.db2.gz MYFLAOKSUBVWON-AAEUAGOBSA-N 1 0 325.434 2.298 10 5 EEBERO CC1(C)C[NH2+]CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000872272963 1198123351 /nfs/dbraw/zinc/12/33/51/1198123351.db2.gz SSCPDQPCVKFRAR-LLVKDONJSA-N 1 0 339.367 2.007 10 5 EEBERO CC(C)[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000812290646 1200622091 /nfs/dbraw/zinc/62/20/91/1200622091.db2.gz FGIZHILKJLTRDZ-OAHLLOKOSA-N 1 0 331.376 2.310 10 5 EEBERO CC[C@H](C[NH+](C)C)OC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000870552643 1200740259 /nfs/dbraw/zinc/74/02/59/1200740259.db2.gz XIAASZGQOCXAKP-CQSZACIVSA-N 1 0 332.360 2.278 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@H](C)C[C@H]1CCCC[N@@H+]1C ZINC000870786211 1200877914 /nfs/dbraw/zinc/87/79/14/1200877914.db2.gz ACJLYZFMJGGMNE-TZMCWYRMSA-N 1 0 338.408 2.296 10 5 EEBERO C[NH+]1CCC(n2cc(Nc3cc(F)c([N+](=O)[O-])cc3CO)cn2)CC1 ZINC000866056890 1201416993 /nfs/dbraw/zinc/41/69/93/1201416993.db2.gz DJMSVHDZYQAIAE-UHFFFAOYSA-N 1 0 349.366 2.433 10 5 EEBERO CCOC(=O)Cc1ccc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000866208407 1201465557 /nfs/dbraw/zinc/46/55/57/1201465557.db2.gz IYSBFYFCCCPMEE-CABCVRRESA-N 1 0 347.415 2.231 10 5 EEBERO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000882478378 1201878312 /nfs/dbraw/zinc/87/83/12/1201878312.db2.gz SFMQMOCUCFKNTC-HNNXBMFYSA-N 1 0 346.431 2.409 10 5 EEBERO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000931261601 1206620109 /nfs/dbraw/zinc/62/01/09/1206620109.db2.gz CJPWAIYIALNLBH-SMDDNHRTSA-N 1 0 334.376 2.161 10 5 EEBERO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933760603 1207836908 /nfs/dbraw/zinc/83/69/08/1207836908.db2.gz WNLHFKYRPQWDRY-KSSFIOAISA-N 1 0 347.415 2.469 10 5 EEBERO C[C@@H]1[C@H](N[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000903300104 1240205257 /nfs/dbraw/zinc/20/52/57/1240205257.db2.gz GESOGZBCLMTGFN-WQVCFCJDSA-N 1 0 329.404 2.100 10 5 EEBERO Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000903505425 1240712881 /nfs/dbraw/zinc/71/28/81/1240712881.db2.gz BCRAGRLLGDQWKQ-HDICACEKSA-N 1 0 344.459 2.304 10 5 EEBERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000903577402 1241003941 /nfs/dbraw/zinc/00/39/41/1241003941.db2.gz JRDIGGVOFKYDDB-JTQLQIEISA-N 1 0 347.824 2.011 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2([NH3+])CCCC2)c1 ZINC000850590739 1277273290 /nfs/dbraw/zinc/27/32/90/1277273290.db2.gz VZDYZPHFKQOBMW-UHFFFAOYSA-N 1 0 347.824 2.106 10 5 EEBERO CC[C@H]1CN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000857764880 1293910585 /nfs/dbraw/zinc/91/05/85/1293910585.db2.gz CSLPKZPVOHROLN-GXFFZTMASA-N 1 0 343.330 2.152 10 5 EEBERO C[NH+]1CCC2(CCN2C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000839692382 1315234424 /nfs/dbraw/zinc/23/44/24/1315234424.db2.gz RMKBYZYIHOFONR-JKSUJKDBSA-N 1 0 329.400 2.395 10 5 EEBERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)C1 ZINC001142004605 1315417795 /nfs/dbraw/zinc/41/77/95/1315417795.db2.gz DMWDRVFFNJBLRJ-GFCCVEGCSA-N 1 0 342.399 2.402 10 5 EEBERO C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC001163924916 1321248772 /nfs/dbraw/zinc/24/87/72/1321248772.db2.gz NEPJEDQKCYWQJO-OAHLLOKOSA-N 1 0 335.404 2.162 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnc(C)[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001265104478 1322921360 /nfs/dbraw/zinc/92/13/60/1322921360.db2.gz ULKKXUFVMWYYEG-UHFFFAOYSA-N 1 0 345.403 2.268 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1)c1cocn1 ZINC001280470977 1324241430 /nfs/dbraw/zinc/24/14/30/1324241430.db2.gz JYHPICLNHJLYSD-UHFFFAOYSA-N 1 0 330.344 2.025 10 5 EEBERO CCc1cc(C(=O)N(C)CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001320072282 1332819154 /nfs/dbraw/zinc/81/91/54/1332819154.db2.gz GHOIXDONDVKVEL-UHFFFAOYSA-N 1 0 346.387 2.349 10 5 EEBERO C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000848557498 1338721099 /nfs/dbraw/zinc/72/10/99/1338721099.db2.gz IJNFXPAJKNFQAT-IGQOVBAYSA-N 1 0 336.436 2.325 10 5 EEBERO Nc1nccc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000848790026 1338764666 /nfs/dbraw/zinc/76/46/66/1338764666.db2.gz IYTVJAMFCLZZFP-ZDUSSCGKSA-N 1 0 342.355 2.003 10 5 EEBERO CC[C@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC001564497483 1342549807 /nfs/dbraw/zinc/54/98/07/1342549807.db2.gz SFALOYANEMMMNK-KBMXLJTQSA-N 1 0 332.404 2.391 10 5 EEBERO CC(C)=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)c1 ZINC001677643684 1357382121 /nfs/dbraw/zinc/38/21/21/1357382121.db2.gz WDEQJKDBGOZEMA-GDBMZVCRSA-N 1 0 335.379 2.163 10 5 EEBERO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001587517342 1348863353 /nfs/dbraw/zinc/86/33/53/1348863353.db2.gz NSBUUXZBFOFFJJ-UHFFFAOYSA-N 1 0 330.344 2.318 10 5 EEBERO CC[C@]1(O)CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC001647993502 1353412531 /nfs/dbraw/zinc/41/25/31/1353412531.db2.gz PAKWSRZGWLECOX-KRWDZBQOSA-N 1 0 349.387 2.130 10 5 EEBERO C[C@H](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)n1ccnc1 ZINC001648530570 1353433106 /nfs/dbraw/zinc/43/31/06/1353433106.db2.gz BTHCRLMKZWZJMN-SNVBAGLBSA-N 1 0 341.331 2.166 10 5 EEBERO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001651361841 1354050231 /nfs/dbraw/zinc/05/02/31/1354050231.db2.gz VUPFAVQQUNBTPU-HNNXBMFYSA-N 1 0 329.404 2.141 10 5 EEBERO CCc1cc(NC[C@@H]2CC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001652252792 1354083745 /nfs/dbraw/zinc/08/37/45/1354083745.db2.gz QXNYKBDGCKYLKP-HNNXBMFYSA-N 1 0 327.388 2.152 10 5 EEBERO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC001655057550 1354163497 /nfs/dbraw/zinc/16/34/97/1354163497.db2.gz PCYDSKFSHBALFO-QLFBSQMISA-N 1 0 347.415 2.325 10 5 EEBERO CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001667413649 1355737601 /nfs/dbraw/zinc/73/76/01/1355737601.db2.gz QKCOHUVCCIULOU-HZPDHXFCSA-N 1 0 325.453 2.258 10 5 EEBERO CCn1cc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001670046060 1356266025 /nfs/dbraw/zinc/26/60/25/1356266025.db2.gz BBWOFURPCVRAFU-UHFFFAOYSA-N 1 0 345.403 2.063 10 5 EEBERO C[N@H+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000906405641 783885711 /nfs/dbraw/zinc/88/57/11/783885711.db2.gz WWSXBBYPZASTGP-UHFFFAOYSA-N 1 0 325.796 2.391 10 5 EEBERO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000818000499 785118613 /nfs/dbraw/zinc/11/86/13/785118613.db2.gz AZKJQGBZYQIFJX-NHYWBVRUSA-N 1 0 348.359 2.107 10 5 EEBERO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[N@H+](C)C1CC1 ZINC001136598253 787268206 /nfs/dbraw/zinc/26/82/06/787268206.db2.gz YLJSNAAGFSEFNO-SSDOTTSWSA-N 1 0 344.774 2.182 10 5 EEBERO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC12CC[NH+](CC1)C2 ZINC000913633218 794013005 /nfs/dbraw/zinc/01/30/05/794013005.db2.gz QHKHIFWNVADIJG-UHFFFAOYSA-N 1 0 341.820 2.305 10 5 EEBERO O=C(Nc1cc([N+](=O)[O-])n[nH]1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001177806533 799131854 /nfs/dbraw/zinc/13/18/54/799131854.db2.gz VVADBCZAYNRBSS-LBPRGKRZSA-N 1 0 347.350 2.308 10 5 EEBERO CCCc1n[nH]c(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC001180094164 800242073 /nfs/dbraw/zinc/24/20/73/800242073.db2.gz BILDKGCXZZWJQD-UHFFFAOYSA-N 1 0 335.408 2.017 10 5 EEBERO Cc1noc(C)c1C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001497522323 1102618110 /nfs/dbraw/zinc/61/81/10/1102618110.db2.gz IQWOEMIJHUXLCU-WAYWQWQTSA-N 1 0 344.371 2.275 10 5 EEBERO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)Cc2c[nH]nc21 ZINC001460602159 1110319214 /nfs/dbraw/zinc/31/92/14/1110319214.db2.gz FROMHKDUAWMORO-JTQLQIEISA-N 1 0 347.350 2.405 10 5 EEBERO Cc1noc(C[C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC001460859390 1110326338 /nfs/dbraw/zinc/32/63/38/1110326338.db2.gz ROHRVCMAGLZBAC-BBRMVZONSA-N 1 0 346.387 2.274 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001464918833 1110407517 /nfs/dbraw/zinc/40/75/17/1110407517.db2.gz YJDWHUFLXUTUPV-UHFFFAOYSA-N 1 0 335.404 2.407 10 5 EEBERO CN(C)c1cc(F)c(C(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001465341629 1110415906 /nfs/dbraw/zinc/41/59/06/1110415906.db2.gz RGPHTBFYJYEIDF-UHFFFAOYSA-N 1 0 340.399 2.214 10 5 EEBERO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001466488406 1110436740 /nfs/dbraw/zinc/43/67/40/1110436740.db2.gz GUEMCDHZOSIKRV-MNOVXSKESA-N 1 0 325.796 2.342 10 5 EEBERO COc1ccc(CC(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001466717617 1110442031 /nfs/dbraw/zinc/44/20/31/1110442031.db2.gz YOGFZFRELQBRGH-AWEZNQCLSA-N 1 0 335.404 2.135 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC001472447655 1110556294 /nfs/dbraw/zinc/55/62/94/1110556294.db2.gz HJNUFALGYWSQPD-CYBMUJFWSA-N 1 0 327.331 2.239 10 5 EEBERO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001529414896 1121432767 /nfs/dbraw/zinc/43/27/67/1121432767.db2.gz KAGKROTZMBZNPK-JTQLQIEISA-N 1 0 326.372 2.166 10 5 EEBERO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC001540431425 1124082921 /nfs/dbraw/zinc/08/29/21/1124082921.db2.gz DZOHNPBSRWDZES-KBPBESRZSA-N 1 0 334.420 2.243 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(CF)CCC1 ZINC001568922504 1124950346 /nfs/dbraw/zinc/95/03/46/1124950346.db2.gz XRMOYQQMJYINID-UPHRSURJSA-N 1 0 335.379 2.497 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000191703953 237269646 /nfs/dbraw/zinc/26/96/46/237269646.db2.gz VWKBCIXYHWDJBD-STQMWFEESA-N 1 0 349.435 2.194 10 5 EEBERO CC(C)[NH+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000072717136 216297927 /nfs/dbraw/zinc/29/79/27/216297927.db2.gz AIDKGMVJDGFPPU-UHFFFAOYSA-N 1 0 349.478 2.444 10 5 EEBERO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000194415761 240570727 /nfs/dbraw/zinc/57/07/27/240570727.db2.gz ZZNBVJLOSPZHQD-LBPRGKRZSA-N 1 0 349.412 2.136 10 5 EEBERO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000425967437 241189394 /nfs/dbraw/zinc/18/93/94/241189394.db2.gz OHSMZBSOGWFCRG-OCCSQVGLSA-N 1 0 330.388 2.198 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445814979 242133746 /nfs/dbraw/zinc/13/37/46/242133746.db2.gz FKIFMQALTHCDSB-QAPCUYQASA-N 1 0 343.383 2.470 10 5 EEBERO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449741927 242618386 /nfs/dbraw/zinc/61/83/86/242618386.db2.gz MLZAPEZBQLHCAZ-KBPBESRZSA-N 1 0 334.372 2.282 10 5 EEBERO Cc1sc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267093488 256026683 /nfs/dbraw/zinc/02/66/83/256026683.db2.gz IYUXIOPVBAKTFM-ZDUSSCGKSA-N 1 0 329.447 2.132 10 5 EEBERO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-n2ccnc2)c1 ZINC000189896252 533406374 /nfs/dbraw/zinc/40/63/74/533406374.db2.gz WEZBQMGLROEDMI-CYBMUJFWSA-N 1 0 326.360 2.328 10 5 EEBERO CCOc1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000359482372 153390267 /nfs/dbraw/zinc/39/02/67/153390267.db2.gz SQODAMLUOWYMRG-UHFFFAOYSA-N 1 0 347.375 2.004 10 5 EEBERO CC[C@@H]([NH3+])CNc1ccc(I)cc1[N+](=O)[O-] ZINC000085102326 159169491 /nfs/dbraw/zinc/16/94/91/159169491.db2.gz NTEIFLOQQIQLII-MRVPVSSYSA-N 1 0 335.145 2.349 10 5 EEBERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000246992609 160304763 /nfs/dbraw/zinc/30/47/63/160304763.db2.gz GONHBZZZCJMPLO-UKRRQHHQSA-N 1 0 349.435 2.035 10 5 EEBERO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248130109 160339001 /nfs/dbraw/zinc/33/90/01/160339001.db2.gz OIVCSOYKZCRMDE-XHDPSFHLSA-N 1 0 348.359 2.059 10 5 EEBERO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000359132904 164068150 /nfs/dbraw/zinc/06/81/50/164068150.db2.gz VTJHBKDMEBXERX-UHFFFAOYSA-N 1 0 342.399 2.366 10 5 EEBERO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378237360 167646306 /nfs/dbraw/zinc/64/63/06/167646306.db2.gz YTEXRNCWQWGAME-XJKSGUPXSA-N 1 0 346.431 2.265 10 5 EEBERO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000193947777 268623177 /nfs/dbraw/zinc/62/31/77/268623177.db2.gz JWJNHDWWSDYRKB-GFCCVEGCSA-N 1 0 338.408 2.133 10 5 EEBERO O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC[NH2+]CC1 ZINC000181339927 275011042 /nfs/dbraw/zinc/01/10/42/275011042.db2.gz ZLOVAHFWLXRIID-UHFFFAOYSA-N 1 0 348.584 2.056 10 5 EEBERO CCOC(=O)c1ccnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)c1[N+](=O)[O-] ZINC000174924066 276300908 /nfs/dbraw/zinc/30/09/08/276300908.db2.gz HQQBZDMNDWSYML-CHWSQXEVSA-N 1 0 348.403 2.230 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000359085393 280398306 /nfs/dbraw/zinc/39/83/06/280398306.db2.gz SWGHRCJUIWUXDX-UHFFFAOYSA-N 1 0 347.463 2.070 10 5 EEBERO [NH3+]C[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000415705853 313169707 /nfs/dbraw/zinc/16/97/07/313169707.db2.gz UIYYQVRRQISNRF-NSHDSACASA-N 1 0 343.181 2.216 10 5 EEBERO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000537718107 318025031 /nfs/dbraw/zinc/02/50/31/318025031.db2.gz GRSHXUYNODKAGS-GFCCVEGCSA-N 1 0 343.811 2.071 10 5 EEBERO CN(CCC[NH+](C)C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000553548311 318535216 /nfs/dbraw/zinc/53/52/16/318535216.db2.gz ADHDAWBDICFIBV-UHFFFAOYSA-N 1 0 334.420 2.219 10 5 EEBERO O=C(NCC[C@H]1CCC[NH2+]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000563163732 318978796 /nfs/dbraw/zinc/97/87/96/318978796.db2.gz VKMFAIPKBPOVRY-OAHLLOKOSA-N 1 0 346.431 2.070 10 5 EEBERO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCc1nccs1 ZINC000563707276 319038417 /nfs/dbraw/zinc/03/84/17/319038417.db2.gz NTMRRZPBELCMNT-GFCCVEGCSA-N 1 0 337.401 2.013 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCc2nccs2)c1 ZINC000565594357 319196249 /nfs/dbraw/zinc/19/62/49/319196249.db2.gz SAPVCEUOEHBDQQ-ZDUSSCGKSA-N 1 0 337.401 2.013 10 5 EEBERO COc1ccc(CC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000577601092 320264892 /nfs/dbraw/zinc/26/48/92/320264892.db2.gz MRXWYPIXJQSHEO-CABCVRRESA-N 1 0 347.415 2.137 10 5 EEBERO Cc1csc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000184136922 323420094 /nfs/dbraw/zinc/42/00/94/323420094.db2.gz NTACHYLEHHUAFD-DGCLKSJQSA-N 1 0 337.401 2.450 10 5 EEBERO COC(=O)c1cc(C)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000296022620 465052978 /nfs/dbraw/zinc/05/29/78/465052978.db2.gz OHYRLZWGIMUNHU-YOGCLGLASA-N 1 0 334.376 2.122 10 5 EEBERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000069440605 463247163 /nfs/dbraw/zinc/24/71/63/463247163.db2.gz KAWFVQPTZKOENQ-QGZVFWFLSA-N 1 0 341.411 2.426 10 5 EEBERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000106910442 463550570 /nfs/dbraw/zinc/55/05/70/463550570.db2.gz UPCVNKJZSRJHBN-SFHVURJKSA-N 1 0 341.411 2.426 10 5 EEBERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000193827355 463744661 /nfs/dbraw/zinc/74/46/61/463744661.db2.gz ZYCSYFRIYMPTHX-OAHLLOKOSA-N 1 0 336.436 2.413 10 5 EEBERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000261741448 463845862 /nfs/dbraw/zinc/84/58/62/463845862.db2.gz ZSOIPOBVZULFMP-JPZVUWATSA-N 1 0 332.404 2.029 10 5 EEBERO CCC[N@@H+]1CC[C@H](CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000283680279 463970639 /nfs/dbraw/zinc/97/06/39/463970639.db2.gz XPBGESAKVFOVLN-GFCCVEGCSA-N 1 0 336.392 2.229 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347846 464060700 /nfs/dbraw/zinc/06/07/00/464060700.db2.gz LKGIREVPFJVFHL-ZDUSSCGKSA-N 1 0 332.404 2.092 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180100545 464241390 /nfs/dbraw/zinc/24/13/90/464241390.db2.gz DKVSKOOARFVRGG-DLBZAZTESA-N 1 0 340.383 2.473 10 5 EEBERO C[N@@H+]1CC[C@@H]2OCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000284569508 464247158 /nfs/dbraw/zinc/24/71/58/464247158.db2.gz OEBDRTLKVAVQAY-SJORKVTESA-N 1 0 328.372 2.052 10 5 EEBERO CC(C)c1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000188929882 464399029 /nfs/dbraw/zinc/39/90/29/464399029.db2.gz ACXRFMNQYHPRJP-UHFFFAOYSA-N 1 0 348.447 2.038 10 5 EEBERO CC[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000181529776 464501922 /nfs/dbraw/zinc/50/19/22/464501922.db2.gz RODQOSSMSPJLKV-AWEZNQCLSA-N 1 0 327.344 2.172 10 5 EEBERO CC[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000181546456 464505237 /nfs/dbraw/zinc/50/52/37/464505237.db2.gz CPJUSTQJPJBHEW-ULQDDVLXSA-N 1 0 338.404 2.192 10 5 EEBERO C[N@@H+]1CCC[C@H]1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265370258 464534496 /nfs/dbraw/zinc/53/44/96/464534496.db2.gz NZWUZRWXEYACOO-LBPRGKRZSA-N 1 0 341.795 2.228 10 5 EEBERO CCOc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000246499728 464592023 /nfs/dbraw/zinc/59/20/23/464592023.db2.gz RZBPXULRLNVHJA-UONOGXRCSA-N 1 0 337.420 2.275 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247546018 464693680 /nfs/dbraw/zinc/69/36/80/464693680.db2.gz YWLXWTAGVHUTMA-HIFRSBDPSA-N 1 0 332.404 2.010 10 5 EEBERO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000249713062 464906358 /nfs/dbraw/zinc/90/63/58/464906358.db2.gz ZEKOTXKTSXXAFB-SMDDNHRTSA-N 1 0 335.404 2.467 10 5 EEBERO C[C@@H]1CCC[C@@](CNc2ncc([N+](=O)[O-])cc2C(N)=O)([NH+](C)C)C1 ZINC000299059220 465580598 /nfs/dbraw/zinc/58/05/98/465580598.db2.gz NAKQINOISNFXKX-BDJLRTHQSA-N 1 0 335.408 2.011 10 5 EEBERO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[NH+](C)C)cc1 ZINC000299336183 465703991 /nfs/dbraw/zinc/70/39/91/465703991.db2.gz IZZCFMGXQHZOAW-OAHLLOKOSA-N 1 0 343.387 2.112 10 5 EEBERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331104025 465935048 /nfs/dbraw/zinc/93/50/48/465935048.db2.gz FJFKLPIZQJWYKR-NSHDSACASA-N 1 0 341.358 2.216 10 5 EEBERO C[NH+]1CCC(C)(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331145645 465954563 /nfs/dbraw/zinc/95/45/63/465954563.db2.gz YMEQQRRFNJMSIQ-UHFFFAOYSA-N 1 0 341.358 2.264 10 5 EEBERO CCn1nc2c(cc1=O)CN(Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000371869125 466046141 /nfs/dbraw/zinc/04/61/41/466046141.db2.gz DJFYEFVOCVEEOI-UHFFFAOYSA-N 1 0 328.372 2.038 10 5 EEBERO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000597210055 468480352 /nfs/dbraw/zinc/48/03/52/468480352.db2.gz TZMXEJIZSOYJDP-NFAWXSAZSA-N 1 0 340.445 2.471 10 5 EEBERO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2(CO)COC2)c2ccccc2)c1 ZINC000305856362 466482339 /nfs/dbraw/zinc/48/23/39/466482339.db2.gz WODZQLLLERPGMC-KRWDZBQOSA-N 1 0 328.368 2.283 10 5 EEBERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000341063214 466553307 /nfs/dbraw/zinc/55/33/07/466553307.db2.gz DVYTVPHPWXPLEU-OKILXGFUSA-N 1 0 335.404 2.353 10 5 EEBERO C[C@H]1CC[C@](CO)([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000411571548 466845246 /nfs/dbraw/zinc/84/52/46/466845246.db2.gz QAPVKYJYSUCNDJ-GUYCJALGSA-N 1 0 335.404 2.406 10 5 EEBERO CN1C(=O)CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000424317486 467028128 /nfs/dbraw/zinc/02/81/28/467028128.db2.gz OHXZFNBYOBTVMC-SNPRPXQTSA-N 1 0 345.399 2.043 10 5 EEBERO CCOc1ccc([C@@H](C)[NH2+]CC[C@](C)(O)COC)cc1[N+](=O)[O-] ZINC000453245469 467469602 /nfs/dbraw/zinc/46/96/02/467469602.db2.gz BWQCDARKPZBTDS-WBMJQRKESA-N 1 0 326.393 2.432 10 5 EEBERO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000408039673 467498947 /nfs/dbraw/zinc/49/89/47/467498947.db2.gz XDJCSRFKVLCTNX-LSDHHAIUSA-N 1 0 325.796 2.153 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450364626 467835620 /nfs/dbraw/zinc/83/56/20/467835620.db2.gz YZGGIEFOANAQHJ-ZDUSSCGKSA-N 1 0 330.388 2.036 10 5 EEBERO C[C@@H]1C[N@@H+](CCCNc2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000487905210 468058823 /nfs/dbraw/zinc/05/88/23/468058823.db2.gz AGIQPBIORYUIQE-OKILXGFUSA-N 1 0 344.415 2.476 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000488907074 468111086 /nfs/dbraw/zinc/11/10/86/468111086.db2.gz ILFBOTCEPNOJIR-INIZCTEOSA-N 1 0 346.362 2.470 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000589500093 468156867 /nfs/dbraw/zinc/15/68/67/468156867.db2.gz UQIFUQBVLIGOFO-UHFFFAOYSA-N 1 0 333.388 2.052 10 5 EEBERO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567671836 468179691 /nfs/dbraw/zinc/17/96/91/468179691.db2.gz KYHJJYSZPHDBBH-GOSISDBHSA-N 1 0 340.383 2.359 10 5 EEBERO COc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000591891592 468551615 /nfs/dbraw/zinc/55/16/15/468551615.db2.gz AAUODHBGWOTQCF-JSGCOSHPSA-N 1 0 333.388 2.208 10 5 EEBERO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600471543 468567471 /nfs/dbraw/zinc/56/74/71/468567471.db2.gz LIZXYKNPLWKKBN-CYBMUJFWSA-N 1 0 343.387 2.218 10 5 EEBERO COc1cccc([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000594542894 468617498 /nfs/dbraw/zinc/61/74/98/468617498.db2.gz OFOORCBMSWYIHV-OAHLLOKOSA-N 1 0 336.436 2.287 10 5 EEBERO COc1cccc([N+](=O)[O-])c1N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600675396 468617487 /nfs/dbraw/zinc/61/74/87/468617487.db2.gz MIIAGSURDBDSIE-AWEZNQCLSA-N 1 0 335.404 2.198 10 5 EEBERO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600712649 468628524 /nfs/dbraw/zinc/62/85/24/468628524.db2.gz ZCGHRZKYIWPQKB-XHSDSOJGSA-N 1 0 329.404 2.148 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)n1 ZINC000592139449 468634306 /nfs/dbraw/zinc/63/43/06/468634306.db2.gz DOGYGQNYMXXFFM-QGZVFWFLSA-N 1 0 344.415 2.455 10 5 EEBERO C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000597695094 468641252 /nfs/dbraw/zinc/64/12/52/468641252.db2.gz QALCMRACVWHJEB-IAOVAPTHSA-N 1 0 347.415 2.020 10 5 EEBERO CC1=C[C@H](C)CN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000558892001 468719500 /nfs/dbraw/zinc/71/95/00/468719500.db2.gz GCDKYEOFNAVQPZ-NHYWBVRUSA-N 1 0 329.356 2.125 10 5 EEBERO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cs1 ZINC000594989054 468739303 /nfs/dbraw/zinc/73/93/03/468739303.db2.gz FNJVYEYTVHDVKV-ZIAGYGMSSA-N 1 0 337.445 2.389 10 5 EEBERO CC(C)[C@H]1C[N@H+](C)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601121853 468750537 /nfs/dbraw/zinc/75/05/37/468750537.db2.gz PWIPGBQCOPMMES-SECBINFHSA-N 1 0 335.330 2.124 10 5 EEBERO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000593067921 468858755 /nfs/dbraw/zinc/85/87/55/468858755.db2.gz BGTVLZGYQHVWBO-CQSZACIVSA-N 1 0 349.387 2.394 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CC[NH+]2CCCCC2)c1 ZINC000593113378 468875743 /nfs/dbraw/zinc/87/57/43/468875743.db2.gz ZMIODIDDBXWULS-UHFFFAOYSA-N 1 0 335.404 2.299 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)c1 ZINC000595689320 468956461 /nfs/dbraw/zinc/95/64/61/468956461.db2.gz PLTVNYDGCJBMKX-SWLSCSKDSA-N 1 0 336.388 2.364 10 5 EEBERO C[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)[NH+]1CCN(C)CC1 ZINC000593461463 468989820 /nfs/dbraw/zinc/98/98/20/468989820.db2.gz LVCBBMJVZDCWKW-CYBMUJFWSA-N 1 0 329.404 2.191 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)n2)cc1 ZINC000595836578 469033584 /nfs/dbraw/zinc/03/35/84/469033584.db2.gz WSCFHEQRUOVPEI-STQMWFEESA-N 1 0 330.344 2.113 10 5 EEBERO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)[C@@H]3CCCO3)cs2)c1 ZINC000598990389 469079256 /nfs/dbraw/zinc/07/92/56/469079256.db2.gz MVXCFQYZCOLKOD-CABCVRRESA-N 1 0 349.412 2.348 10 5 EEBERO Cc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1[N+](=O)[O-] ZINC000595924261 469085318 /nfs/dbraw/zinc/08/53/18/469085318.db2.gz JQUPZDSNPIOYHF-CYBMUJFWSA-N 1 0 344.375 2.062 10 5 EEBERO Cn1nccc1[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599057192 469103072 /nfs/dbraw/zinc/10/30/72/469103072.db2.gz XZMMYXWNMATIPC-BMFZPTHFSA-N 1 0 344.415 2.363 10 5 EEBERO Nc1ccc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)nc1[N+](=O)[O-] ZINC000596228029 469214042 /nfs/dbraw/zinc/21/40/42/469214042.db2.gz VTNZDRILFFBLPK-GFCCVEGCSA-N 1 0 342.403 2.489 10 5 EEBERO COc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000596568236 469303163 /nfs/dbraw/zinc/30/31/63/469303163.db2.gz RELKCUUKKQWPGH-GFCCVEGCSA-N 1 0 341.383 2.290 10 5 EEBERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599626101 469314684 /nfs/dbraw/zinc/31/46/84/469314684.db2.gz UEKDECKHMNFMBA-UPBMQRFZSA-N 1 0 333.388 2.102 10 5 EEBERO Cc1ccc(O)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000159170672 534193512 /nfs/dbraw/zinc/19/35/12/534193512.db2.gz GZPQRZPMNIXZQF-UHFFFAOYSA-N 1 0 328.372 2.326 10 5 EEBERO Cc1nn(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764988888 577492459 /nfs/dbraw/zinc/49/24/59/577492459.db2.gz FHZOKDORCOUGDY-OAHLLOKOSA-N 1 0 329.404 2.379 10 5 EEBERO COCCC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001266721050 1177286706 /nfs/dbraw/zinc/28/67/06/1177286706.db2.gz HLPKKPJWVGEYPP-GASCZTMLSA-N 1 0 349.431 2.394 10 5 EEBERO CC[N@H+](CCNC(=O)c1[nH]c(C)nc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001481001143 1179457125 /nfs/dbraw/zinc/45/71/25/1179457125.db2.gz ODKFZZMKSNZEET-UHFFFAOYSA-N 1 0 345.403 2.187 10 5 EEBERO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])nc1C ZINC001481257239 1180492252 /nfs/dbraw/zinc/49/22/52/1180492252.db2.gz BBRMQFOYOREGHP-UHFFFAOYSA-N 1 0 342.399 2.468 10 5 EEBERO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cscn1 ZINC001268438133 1182612695 /nfs/dbraw/zinc/61/26/95/1182612695.db2.gz CZFFCVBLWGNOFS-UHFFFAOYSA-N 1 0 334.401 2.303 10 5 EEBERO O=C(/C=C/c1ccc[nH]1)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268536309 1183197429 /nfs/dbraw/zinc/19/74/29/1183197429.db2.gz YKLMDKMTCBVAKX-ZYAMMKLPSA-N 1 0 340.383 2.398 10 5 EEBERO O=C(/C=C\c1ccc[nH]1)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001268536307 1183197448 /nfs/dbraw/zinc/19/74/48/1183197448.db2.gz YKLMDKMTCBVAKX-JOSIRHCKSA-N 1 0 340.383 2.398 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cn1 ZINC001269402536 1184241708 /nfs/dbraw/zinc/24/17/08/1184241708.db2.gz MJETWPDSGJCMSU-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CCSC2)cc1 ZINC000872217504 1198091848 /nfs/dbraw/zinc/09/18/48/1198091848.db2.gz YFGCZQMOPCVYGJ-GFCCVEGCSA-N 1 0 344.458 2.101 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCOC(F)(F)C(F)(F)F)cc1 ZINC000872244665 1198108263 /nfs/dbraw/zinc/10/82/63/1198108263.db2.gz OUGWJIRIHBXWLZ-SNVBAGLBSA-N 1 0 344.236 2.390 10 5 EEBERO CC[N@H+]1[C@H](C)CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000880608447 1201540224 /nfs/dbraw/zinc/54/02/24/1201540224.db2.gz BXBVUAWCFLGEGX-TXEJJXNPSA-N 1 0 339.367 2.054 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]CCC1(C)C ZINC000866700211 1201583745 /nfs/dbraw/zinc/58/37/45/1201583745.db2.gz SYVSDTIORNMEMN-UHFFFAOYSA-N 1 0 334.420 2.306 10 5 EEBERO Cc1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868382752 1201803425 /nfs/dbraw/zinc/80/34/25/1201803425.db2.gz KIPODUJNADALBT-OCCSQVGLSA-N 1 0 332.404 2.328 10 5 EEBERO Cc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000868382753 1201803635 /nfs/dbraw/zinc/80/36/35/1201803635.db2.gz KIPODUJNADALBT-TZMCWYRMSA-N 1 0 332.404 2.328 10 5 EEBERO C[NH+](C)CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000928841999 1206426772 /nfs/dbraw/zinc/42/67/72/1206426772.db2.gz ZAIORZPHHAPOGP-QGZVFWFLSA-N 1 0 342.399 2.342 10 5 EEBERO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)o1 ZINC001196878028 1284309744 /nfs/dbraw/zinc/30/97/44/1284309744.db2.gz GGPZXJUBBCHMAH-YVEFUNNKSA-N 1 0 344.371 2.239 10 5 EEBERO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000852351149 1292096958 /nfs/dbraw/zinc/09/69/58/1292096958.db2.gz JAELBCVJKNEPOG-DFBGVHRSSA-N 1 0 326.368 2.390 10 5 EEBERO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000852561454 1292134882 /nfs/dbraw/zinc/13/48/82/1292134882.db2.gz OEHVOCIOCZWMDF-JQHSSLGASA-N 1 0 344.415 2.363 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC2SCCS2)c1 ZINC000853122065 1292290396 /nfs/dbraw/zinc/29/03/96/1292290396.db2.gz LWCDFGZRWITVCJ-GFCCVEGCSA-N 1 0 344.458 2.120 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCO1 ZINC000853990174 1292573109 /nfs/dbraw/zinc/57/31/09/1292573109.db2.gz JREGLMHJIUUQCX-LBPRGKRZSA-N 1 0 329.347 2.420 10 5 EEBERO O=C(NCC[N@@H+]1CCCOCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000861191674 1295287046 /nfs/dbraw/zinc/28/70/46/1295287046.db2.gz ZUWZZROTVSLYIK-UHFFFAOYSA-N 1 0 343.383 2.200 10 5 EEBERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)cc1[N+](=O)[O-] ZINC000927151173 1297038628 /nfs/dbraw/zinc/03/86/28/1297038628.db2.gz QKKIFGMUUHLAKC-AAEUAGOBSA-N 1 0 345.403 2.330 10 5 EEBERO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001124020331 1310804507 /nfs/dbraw/zinc/80/45/07/1310804507.db2.gz HQMUFFRJNQCFGQ-RDJZCZTQSA-N 1 0 347.415 2.216 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@]12CC[N@H+](C1)CCC2 ZINC001152586680 1316693704 /nfs/dbraw/zinc/69/37/04/1316693704.db2.gz QXGLNTCYRKZZQA-KRWDZBQOSA-N 1 0 332.404 2.141 10 5 EEBERO Cc1n[nH]cc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001280495100 1324255481 /nfs/dbraw/zinc/25/54/81/1324255481.db2.gz KJBGZEIJIAAJGL-UHFFFAOYSA-N 1 0 343.387 2.069 10 5 EEBERO CC(C)SCC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001492194780 1331081178 /nfs/dbraw/zinc/08/11/78/1331081178.db2.gz GSROBIILVKVJCC-UHFFFAOYSA-N 1 0 325.434 2.284 10 5 EEBERO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCCC2 ZINC001328119496 1334400430 /nfs/dbraw/zinc/40/04/30/1334400430.db2.gz MWGDMHNAAMMTAU-ZIAGYGMSSA-N 1 0 332.404 2.144 10 5 EEBERO C[C@@]12COC[C@H]1C[N@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C2 ZINC001333721213 1336114546 /nfs/dbraw/zinc/11/45/46/1336114546.db2.gz FKRUJKPNBQMGRA-RHSMWYFYSA-N 1 0 328.372 2.384 10 5 EEBERO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC001618607809 1352351836 /nfs/dbraw/zinc/35/18/36/1352351836.db2.gz CYTXFVUBKJQOGP-MRVPVSSYSA-N 1 0 344.774 2.041 10 5 EEBERO CN(C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC001565584718 1342558163 /nfs/dbraw/zinc/55/81/63/1342558163.db2.gz HNFVPZZKUYFCIP-HNNXBMFYSA-N 1 0 337.807 2.343 10 5 EEBERO CC(C)SCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001566783065 1342629856 /nfs/dbraw/zinc/62/98/56/1342629856.db2.gz UYHWAEMCQINUMJ-HDJSIYSDSA-N 1 0 337.445 2.473 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cncc(F)c1 ZINC001569394728 1342864099 /nfs/dbraw/zinc/86/40/99/1342864099.db2.gz PWMIYYFDANDVOQ-UHFFFAOYSA-N 1 0 344.346 2.181 10 5 EEBERO C[NH+](C)CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)cc1 ZINC001625294592 1352445196 /nfs/dbraw/zinc/44/51/96/1352445196.db2.gz VSNAFIDYRXVXKE-UHFFFAOYSA-N 1 0 342.399 2.211 10 5 EEBERO Cc1ccc(CC(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001663335995 1354949871 /nfs/dbraw/zinc/94/98/71/1354949871.db2.gz VQAXPNZTHZTSBL-UHFFFAOYSA-N 1 0 342.399 2.089 10 5 EEBERO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)CCC2(C)CC2)CCC1 ZINC001673226236 1356655988 /nfs/dbraw/zinc/65/59/88/1356655988.db2.gz GSFFZLJURJKUMC-UHFFFAOYSA-N 1 0 349.435 2.037 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1(O)CCC1 ZINC001673434954 1356690954 /nfs/dbraw/zinc/69/09/54/1356690954.db2.gz ZYQNLTJCYZISIA-UHFFFAOYSA-N 1 0 349.431 2.180 10 5 EEBERO CCn1ccnc1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001698984569 1405200280 /nfs/dbraw/zinc/20/02/80/1405200280.db2.gz FVHWBVPAOISRIE-UHFFFAOYSA-N 1 0 345.403 2.015 10 5 EEBERO COc1cc(C(=O)N(CC[NH3+])CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000261625049 779505196 /nfs/dbraw/zinc/50/51/96/779505196.db2.gz AEMGZLNTLSQTIP-UHFFFAOYSA-N 1 0 343.383 2.247 10 5 EEBERO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819919614 785716037 /nfs/dbraw/zinc/71/60/37/785716037.db2.gz GUEYOMNGXFVZGZ-UHFFFAOYSA-N 1 0 344.371 2.370 10 5 EEBERO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001136493131 786861446 /nfs/dbraw/zinc/86/14/46/786861446.db2.gz SJCMPHYUBMFPRP-YRGRVCCFSA-N 1 0 347.419 2.049 10 5 EEBERO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912928526 788486368 /nfs/dbraw/zinc/48/63/68/788486368.db2.gz MMGFYOUWOQQKDR-OAHLLOKOSA-N 1 0 344.415 2.115 10 5 EEBERO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000844646601 789290747 /nfs/dbraw/zinc/29/07/47/789290747.db2.gz VKRHSFAFUNHBOO-QJPTWQEYSA-N 1 0 339.367 2.052 10 5 EEBERO C[C@]12C[NH2+]C[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1Br)C2 ZINC000923426718 789528757 /nfs/dbraw/zinc/52/87/57/789528757.db2.gz PKSIARVXSIDACD-SMDDNHRTSA-N 1 0 340.221 2.399 10 5 EEBERO O=C(NC12CC[NH+](CC1)C2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000913628812 794001495 /nfs/dbraw/zinc/00/14/95/794001495.db2.gz PDXKLDLDBBMKHR-UHFFFAOYSA-N 1 0 344.396 2.296 10 5 EEBERO C[C@@H]1[C@H](NC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000921839175 796901766 /nfs/dbraw/zinc/90/17/66/796901766.db2.gz XVKFMHYODWLPHK-ZWNOBZJWSA-N 1 0 340.811 2.183 10 5 EEBERO CCOC(=O)CC1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000789389696 807963440 /nfs/dbraw/zinc/96/34/40/807963440.db2.gz XIAGCBHVHZIUCZ-OAHLLOKOSA-N 1 0 336.388 2.484 10 5 EEBERO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@]4(C3)CCCOC4)n2)cc1 ZINC000789545010 808054533 /nfs/dbraw/zinc/05/45/33/808054533.db2.gz JQOBVIIELZNDEB-QGZVFWFLSA-N 1 0 343.387 2.313 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC001450711346 1095109189 /nfs/dbraw/zinc/10/91/89/1095109189.db2.gz WKFIOHJWOFMUJY-INIZCTEOSA-N 1 0 346.362 2.470 10 5 EEBERO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(-c2ccncc2)n1 ZINC001452187426 1098287771 /nfs/dbraw/zinc/28/77/71/1098287771.db2.gz XLHKGOYJCPHTRI-UHFFFAOYSA-N 1 0 338.327 2.470 10 5 EEBERO CC(C)OCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001480126885 1099691414 /nfs/dbraw/zinc/69/14/14/1099691414.db2.gz FFLOENBBIVPNCP-SHTZXODSSA-N 1 0 335.404 2.147 10 5 EEBERO CCc1nc[nH]c1C(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001496827296 1101546204 /nfs/dbraw/zinc/54/62/04/1101546204.db2.gz MBSMBXIEIRPBEX-UHFFFAOYSA-N 1 0 345.403 2.084 10 5 EEBERO Cc1cc(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001498514103 1107659606 /nfs/dbraw/zinc/65/96/06/1107659606.db2.gz YQKYMXYWEOKFRA-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1nn(C)cc1[N+](=O)[O-] ZINC001458287002 1109853489 /nfs/dbraw/zinc/85/34/89/1109853489.db2.gz NEYGONTWDZGWHH-UHFFFAOYSA-N 1 0 344.419 2.466 10 5 EEBERO CC(C)[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(C)(C)O ZINC001473456498 1110575847 /nfs/dbraw/zinc/57/58/47/1110575847.db2.gz DEOOQSNNJHYMHJ-GJZGRUSLSA-N 1 0 335.404 2.085 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccc2c(c1)CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001502192912 1113630816 /nfs/dbraw/zinc/63/08/16/1113630816.db2.gz JORKIQFKAVLZJA-QZTJIDSGSA-N 1 0 345.443 2.121 10 5 EEBERO C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1)[NH+](C)C ZINC001510033971 1115961099 /nfs/dbraw/zinc/96/10/99/1115961099.db2.gz NKTUHVKPAJIPGJ-CYBMUJFWSA-N 1 0 344.419 2.404 10 5 EEBERO C[C@@H]([NH3+])[C@H](C)Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000381793241 539939039 /nfs/dbraw/zinc/93/90/39/539939039.db2.gz SOSFTHFYJZLIHB-SFYZADRCSA-N 1 0 339.193 2.475 10 5 EEBERO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181618108 234253784 /nfs/dbraw/zinc/25/37/84/234253784.db2.gz VKCBGUJTCZLDAZ-LLVKDONJSA-N 1 0 341.314 2.116 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1)OCO2 ZINC000071792575 215827542 /nfs/dbraw/zinc/82/75/42/215827542.db2.gz IDCQWMZYABMKHN-SNVBAGLBSA-N 1 0 347.293 2.050 10 5 EEBERO CC[C@@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266204601 248171034 /nfs/dbraw/zinc/17/10/34/248171034.db2.gz KJBSUKVMZSRNCZ-NSHDSACASA-N 1 0 345.346 2.089 10 5 EEBERO O=[N+]([O-])c1ccc2sc([S@](=O)C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000095092237 218280034 /nfs/dbraw/zinc/28/00/34/218280034.db2.gz VVAGFLIYSKSOCA-BTKVJGODSA-N 1 0 325.415 2.312 10 5 EEBERO C[NH+](C)CC1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000120033951 292250409 /nfs/dbraw/zinc/25/04/09/292250409.db2.gz LZCDSCOFWQPONH-UHFFFAOYSA-N 1 0 334.420 2.243 10 5 EEBERO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(N)c([N+](=O)[O-])c1 ZINC000371232613 153959641 /nfs/dbraw/zinc/95/96/41/153959641.db2.gz TWLJXVWOJFJBBJ-GXTWGEPZSA-N 1 0 332.404 2.090 10 5 EEBERO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000090523678 159197967 /nfs/dbraw/zinc/19/79/67/159197967.db2.gz MQIPUIFAHXJVEW-GFCCVEGCSA-N 1 0 334.401 2.093 10 5 EEBERO Cc1cc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc([N+](=O)[O-])c1 ZINC000194449761 160194469 /nfs/dbraw/zinc/19/44/69/160194469.db2.gz BAZOJMGTIIQZNY-CQSZACIVSA-N 1 0 347.415 2.229 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC000194529031 160196058 /nfs/dbraw/zinc/19/60/58/160196058.db2.gz SSGCUWPUBJLWMC-ZDUSSCGKSA-N 1 0 343.343 2.267 10 5 EEBERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000245415863 160232960 /nfs/dbraw/zinc/23/29/60/160232960.db2.gz DQPBMCCIIKVNIK-KBPBESRZSA-N 1 0 332.404 2.092 10 5 EEBERO CCOC(=O)[C@H](C)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000343607614 161151061 /nfs/dbraw/zinc/15/10/61/161151061.db2.gz JVJLJBWGTZMTPU-LBPRGKRZSA-N 1 0 337.376 2.115 10 5 EEBERO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000344426679 161226660 /nfs/dbraw/zinc/22/66/60/161226660.db2.gz ZLZZSOIXMAKVLO-HNNXBMFYSA-N 1 0 337.807 2.343 10 5 EEBERO COc1cccc(CC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 ZINC000344946945 161258307 /nfs/dbraw/zinc/25/83/07/161258307.db2.gz ITTFZWVFOUZTQW-UHFFFAOYSA-N 1 0 333.344 2.045 10 5 EEBERO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000122699843 222140078 /nfs/dbraw/zinc/14/00/78/222140078.db2.gz DJMHLGQOPBUXAC-ZJUUUORDSA-N 1 0 327.331 2.428 10 5 EEBERO C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000423996329 288033242 /nfs/dbraw/zinc/03/32/42/288033242.db2.gz WNJHMDDDARQBTQ-FZKQIMNGSA-N 1 0 346.431 2.252 10 5 EEBERO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[S@](C)=O ZINC000447589201 279267391 /nfs/dbraw/zinc/26/73/91/279267391.db2.gz WYXDNGYHLLRJFC-PHYLKHFNSA-N 1 0 328.438 2.022 10 5 EEBERO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[NH+](C)C ZINC000539417330 318055617 /nfs/dbraw/zinc/05/56/17/318055617.db2.gz HVJVJLOSRFZHRD-GFCCVEGCSA-N 1 0 325.434 2.486 10 5 EEBERO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1C[NH2+]CCCO1 ZINC000389771433 323543503 /nfs/dbraw/zinc/54/35/03/323543503.db2.gz ASNQZMLUXGHFJE-JTQLQIEISA-N 1 0 330.182 2.148 10 5 EEBERO C[NH+](C)CCCCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000583077279 324586651 /nfs/dbraw/zinc/58/66/51/324586651.db2.gz PGLXBWREULEASJ-UHFFFAOYSA-N 1 0 332.404 2.467 10 5 EEBERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354619425 465059085 /nfs/dbraw/zinc/05/90/85/465059085.db2.gz GGZWRIKGTMKKFA-CHWSQXEVSA-N 1 0 341.433 2.136 10 5 EEBERO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000080899171 463363523 /nfs/dbraw/zinc/36/35/23/463363523.db2.gz CRNSUTXBCBXFHE-SGTLLEGYSA-N 1 0 349.431 2.361 10 5 EEBERO [NH3+][C@H]1CCC[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000160913030 463381409 /nfs/dbraw/zinc/38/14/09/463381409.db2.gz CBNYNYJMHRCZII-KBPBESRZSA-N 1 0 347.415 2.482 10 5 EEBERO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000161343397 463422798 /nfs/dbraw/zinc/42/27/98/463422798.db2.gz IXKHQLKBIGVSHB-AWEZNQCLSA-N 1 0 345.403 2.465 10 5 EEBERO Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126535568 463645031 /nfs/dbraw/zinc/64/50/31/463645031.db2.gz PLRCCSQWOZXFML-SJPCQFCGSA-N 1 0 342.399 2.483 10 5 EEBERO Cc1c(Br)c(N2CCC(C[NH3+])CC2)ncc1[N+](=O)[O-] ZINC000165813493 463647379 /nfs/dbraw/zinc/64/73/79/463647379.db2.gz AZEOPNAWYICPMD-UHFFFAOYSA-N 1 0 329.198 2.236 10 5 EEBERO COc1c(C)cnc(CN(C)c2ccc3ncc([N+](=O)[O-])n3n2)c1C ZINC000179287704 464098500 /nfs/dbraw/zinc/09/85/00/464098500.db2.gz TZMWABPQHWWHGG-UHFFFAOYSA-N 1 0 342.359 2.294 10 5 EEBERO C[C@@H]1C[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1C ZINC000172765469 464140338 /nfs/dbraw/zinc/14/03/38/464140338.db2.gz XGMPXDNSKCKGKI-YPMHNXCESA-N 1 0 332.404 2.398 10 5 EEBERO CN(C(=O)CCNc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237203654 464283168 /nfs/dbraw/zinc/28/31/68/464283168.db2.gz HQQQAFHOKMYXLJ-PBWFPOADSA-N 1 0 332.404 2.138 10 5 EEBERO CC(C)Oc1cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000591083819 468405681 /nfs/dbraw/zinc/40/56/81/468405681.db2.gz VJEANMDGGXWXMH-UKRRQHHQSA-N 1 0 333.388 2.158 10 5 EEBERO C[C@@H]1C[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000272220848 464523536 /nfs/dbraw/zinc/52/35/36/464523536.db2.gz KNJGYRTWIMKSLS-MWLCHTKSSA-N 1 0 349.416 2.154 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246135438 464548663 /nfs/dbraw/zinc/54/86/63/464548663.db2.gz JVMDTQALXWTJIQ-QWHCGFSZSA-N 1 0 341.433 2.006 10 5 EEBERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000183131415 464803533 /nfs/dbraw/zinc/80/35/33/464803533.db2.gz NQLKBHMQYUWKMU-DOTOQJQBSA-N 1 0 344.415 2.456 10 5 EEBERO CN(C(=O)CN1CCO[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000253356548 464993844 /nfs/dbraw/zinc/99/38/44/464993844.db2.gz VGBNWCSZOULOLS-CVEARBPZSA-N 1 0 333.388 2.201 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000348180972 465474980 /nfs/dbraw/zinc/47/49/80/465474980.db2.gz NLYQIDKHGAKLTH-OAHLLOKOSA-N 1 0 346.431 2.400 10 5 EEBERO Cc1c(NC(=O)NC/C=C\C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000591303998 468444223 /nfs/dbraw/zinc/44/42/23/468444223.db2.gz JFXIBRQNNFPWNL-IHWYPQMZSA-N 1 0 343.181 2.302 10 5 EEBERO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000554858216 468446737 /nfs/dbraw/zinc/44/67/37/468446737.db2.gz LOXWEDFKOSHCHY-ZDUSSCGKSA-N 1 0 335.408 2.046 10 5 EEBERO CN(C(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000362455674 465754329 /nfs/dbraw/zinc/75/43/29/465754329.db2.gz SSUSZOVUHPOFOB-BBRMVZONSA-N 1 0 333.388 2.059 10 5 EEBERO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCC(C)CC1 ZINC000301064961 465894139 /nfs/dbraw/zinc/89/41/39/465894139.db2.gz DHWKGTWEZXXPPU-OAHLLOKOSA-N 1 0 349.435 2.257 10 5 EEBERO CC1CC[NH+](CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000301116885 465905114 /nfs/dbraw/zinc/90/51/14/465905114.db2.gz YWPWMJMATQHESB-UHFFFAOYSA-N 1 0 334.376 2.070 10 5 EEBERO COc1c[nH+]ccc1N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000361530234 466079586 /nfs/dbraw/zinc/07/95/86/466079586.db2.gz YTDHIOUEYPSRAB-UHFFFAOYSA-N 1 0 346.362 2.460 10 5 EEBERO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000362863568 466081818 /nfs/dbraw/zinc/08/18/18/466081818.db2.gz AUUGKEBZZAHBDV-LLVKDONJSA-N 1 0 341.358 2.358 10 5 EEBERO COc1cc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c([N+](=O)[O-])cc1OC ZINC000597195387 468477128 /nfs/dbraw/zinc/47/71/28/468477128.db2.gz HHQDNNFSKHYKHU-CALCHBBNSA-N 1 0 336.388 2.470 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000591504115 468478507 /nfs/dbraw/zinc/47/85/07/468478507.db2.gz FKEXKMNMVUWTIY-CYBMUJFWSA-N 1 0 336.388 2.366 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000372458500 466396626 /nfs/dbraw/zinc/39/66/26/466396626.db2.gz QVGFNEUUGRWHTA-UHFFFAOYSA-N 1 0 349.435 2.057 10 5 EEBERO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600228277 468501598 /nfs/dbraw/zinc/50/15/98/468501598.db2.gz INWFXBKBQYCXSJ-HNNXBMFYSA-N 1 0 349.435 2.013 10 5 EEBERO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600230084 468501838 /nfs/dbraw/zinc/50/18/38/468501838.db2.gz ZCLSUUIVPSSMOL-INIZCTEOSA-N 1 0 347.415 2.497 10 5 EEBERO Cc1cn2c(n1)CN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000373302436 466758789 /nfs/dbraw/zinc/75/87/89/466758789.db2.gz NEEPXAHZZQBWLB-UHFFFAOYSA-N 1 0 339.355 2.166 10 5 EEBERO C[C@@H](NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)c1cccc([N+](=O)[O-])c1 ZINC000417128430 466788253 /nfs/dbraw/zinc/78/82/53/466788253.db2.gz ILBGVCUVBQBPDI-DYVFJYSZSA-N 1 0 332.404 2.441 10 5 EEBERO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000370587119 466932449 /nfs/dbraw/zinc/93/24/49/466932449.db2.gz HCIAFJQOZYGYPE-INIZCTEOSA-N 1 0 340.383 2.336 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)n1 ZINC000427708961 467173900 /nfs/dbraw/zinc/17/39/00/467173900.db2.gz DWELESNYXZOHTM-UHFFFAOYSA-N 1 0 331.376 2.434 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCCN1CCO)C1CC1 ZINC000453269341 467473168 /nfs/dbraw/zinc/47/31/68/467473168.db2.gz RDDKRPXMUYOWOC-MSOLQXFVSA-N 1 0 347.459 2.352 10 5 EEBERO O=[N+]([O-])c1ccc(-c2csc(N3CCC[N@@H+](CCO)CC3)n2)cc1 ZINC000450319223 467825888 /nfs/dbraw/zinc/82/58/88/467825888.db2.gz YHDJYZGMGCJKAU-UHFFFAOYSA-N 1 0 348.428 2.223 10 5 EEBERO CC[NH+](CC)[C@H]1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589494354 468157151 /nfs/dbraw/zinc/15/71/51/468157151.db2.gz PNVZSTUDAWOAOR-HNNXBMFYSA-N 1 0 335.404 2.298 10 5 EEBERO CC(C)NC(=O)c1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000594591187 468629755 /nfs/dbraw/zinc/62/97/55/468629755.db2.gz GOPGMOGDLGYSLC-XBXGTLAGSA-N 1 0 334.420 2.485 10 5 EEBERO C[NH+]1CCC2(CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000597667569 468631974 /nfs/dbraw/zinc/63/19/74/468631974.db2.gz ROQKTHLJQNQHGA-UHFFFAOYSA-N 1 0 347.415 2.308 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592253956 468665358 /nfs/dbraw/zinc/66/53/58/468665358.db2.gz RQXVXOPCZNEGDZ-KGLIPLIRSA-N 1 0 332.404 2.150 10 5 EEBERO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033613 468746812 /nfs/dbraw/zinc/74/68/12/468746812.db2.gz GZRVPXGNAHHAIR-ZFWWWQNUSA-N 1 0 337.420 2.365 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000595052298 468749197 /nfs/dbraw/zinc/74/91/97/468749197.db2.gz WWNVNPFRQVQUSU-MQIPJXDCSA-N 1 0 340.420 2.412 10 5 EEBERO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[N@@H+]1C1CC1 ZINC000601127654 468753137 /nfs/dbraw/zinc/75/31/37/468753137.db2.gz MLQAHIHCABZGAU-YUMQZZPRSA-N 1 0 333.314 2.384 10 5 EEBERO Cc1cncc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000595088885 468756416 /nfs/dbraw/zinc/75/64/16/468756416.db2.gz FPKXCHHBNDDPDE-GFCCVEGCSA-N 1 0 343.387 2.243 10 5 EEBERO Cc1cncc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000595088886 468756468 /nfs/dbraw/zinc/75/64/68/468756468.db2.gz FPKXCHHBNDDPDE-LBPRGKRZSA-N 1 0 343.387 2.243 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601144313 468759187 /nfs/dbraw/zinc/75/91/87/468759187.db2.gz SHARUKJYEKUZFG-GFCCVEGCSA-N 1 0 329.282 2.388 10 5 EEBERO CC1([NH+]2CCCC2)CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000601216436 468784902 /nfs/dbraw/zinc/78/49/02/468784902.db2.gz RUDBHTPTUWMNIL-UHFFFAOYSA-N 1 0 332.404 2.148 10 5 EEBERO CCC1([NH+]2CCCC2)CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000601217907 468785602 /nfs/dbraw/zinc/78/56/02/468785602.db2.gz PCKJJVWSJXUIHZ-UHFFFAOYSA-N 1 0 344.419 2.482 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226642 468788657 /nfs/dbraw/zinc/78/86/57/468788657.db2.gz XLZSVLOQJYINNG-PBHICJAKSA-N 1 0 347.415 2.354 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595226260 468788824 /nfs/dbraw/zinc/78/88/24/468788824.db2.gz SRVZJOHSSTVIBS-GDBMZVCRSA-N 1 0 346.431 2.387 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000593022166 468842281 /nfs/dbraw/zinc/84/22/81/468842281.db2.gz CLWDKBKQDBHLAX-NVXWUHKLSA-N 1 0 334.372 2.429 10 5 EEBERO CC[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)[NH2+]1 ZINC000598532171 468902811 /nfs/dbraw/zinc/90/28/11/468902811.db2.gz SNBTYWLWALJEMH-WCQYABFASA-N 1 0 330.388 2.218 10 5 EEBERO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000601745413 469001870 /nfs/dbraw/zinc/00/18/70/469001870.db2.gz UUJIJABGNVKXSA-UHFFFAOYSA-N 1 0 334.420 2.414 10 5 EEBERO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000593669883 469086352 /nfs/dbraw/zinc/08/63/52/469086352.db2.gz CEXPGJUYJUGHRL-YXJHDRRASA-N 1 0 334.416 2.437 10 5 EEBERO Cc1c(Br)c(NCC[C@@H]([NH3+])C(C)C)ncc1[N+](=O)[O-] ZINC000596030189 469122839 /nfs/dbraw/zinc/12/28/39/469122839.db2.gz NOSAGDSHIDFHBU-SECBINFHSA-N 1 0 331.214 2.846 10 5 EEBERO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])cc2C)cc1 ZINC000599138788 469133425 /nfs/dbraw/zinc/13/34/25/469133425.db2.gz FVZBRGQADZFTKH-HNNXBMFYSA-N 1 0 342.399 2.993 10 5 EEBERO O=c1[nH]c(NC[C@H]2CC[N@@H+]2C2CCCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000599164073 469143084 /nfs/dbraw/zinc/14/30/84/469143084.db2.gz JCMGLTQVEGVJKW-CYBMUJFWSA-N 1 0 343.387 2.672 10 5 EEBERO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599166568 469146797 /nfs/dbraw/zinc/14/67/97/469146797.db2.gz YAVZHILSFRWGFP-AWEZNQCLSA-N 1 0 332.404 2.383 10 5 EEBERO CO[C@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)[C@H]1CCOC1 ZINC000596319121 469242457 /nfs/dbraw/zinc/24/24/57/469242457.db2.gz UDQXLNHWYLBOPW-YVEFUNNKSA-N 1 0 331.372 2.337 10 5 EEBERO C[C@H](O)C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000618344295 469968682 /nfs/dbraw/zinc/96/86/82/469968682.db2.gz GPIRCYSGKBFTCV-STQMWFEESA-N 1 0 330.388 2.034 10 5 EEBERO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@](O)(C3CC3)C1)OCCO2 ZINC000597205614 485616228 /nfs/dbraw/zinc/61/62/28/485616228.db2.gz NIJJLFJCKNZLFH-QGZVFWFLSA-N 1 0 334.372 2.103 10 5 EEBERO COC[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000452075015 536523100 /nfs/dbraw/zinc/52/31/00/536523100.db2.gz BOUMTDPCYADUNL-GOEBONIOSA-N 1 0 338.404 2.083 10 5 EEBERO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000451586895 536465452 /nfs/dbraw/zinc/46/54/52/536465452.db2.gz AJJSEVULRNEGCZ-NEPJUHHUSA-N 1 0 332.360 2.293 10 5 EEBERO COc1c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)cccc1[N+](=O)[O-] ZINC000898833687 693475247 /nfs/dbraw/zinc/47/52/47/693475247.db2.gz XALZTPGECIKVJP-KBPBESRZSA-N 1 0 333.388 2.206 10 5 EEBERO CN(CCNC(=O)CC[NH+]1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001266362560 1176410472 /nfs/dbraw/zinc/41/04/72/1176410472.db2.gz LTDCSBCQFDCPIJ-UHFFFAOYSA-N 1 0 348.447 2.019 10 5 EEBERO CC[N@H+](CCNC(=O)c1ccncc1F)Cc1cccc([N+](=O)[O-])c1 ZINC001266383472 1176453807 /nfs/dbraw/zinc/45/38/07/1176453807.db2.gz OXZMKYQFHHMVFC-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO CN(CC[NH2+]Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696934 1177218641 /nfs/dbraw/zinc/21/86/41/1177218641.db2.gz XQHPTVNZCZDUQF-ZIAGYGMSSA-N 1 0 333.413 2.115 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1cccs1 ZINC001267340991 1178788915 /nfs/dbraw/zinc/78/89/15/1178788915.db2.gz OZISGPGFIGLMIR-UHFFFAOYSA-N 1 0 333.413 2.447 10 5 EEBERO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c([nH]1)CCC2 ZINC001267453980 1179034881 /nfs/dbraw/zinc/03/48/81/1179034881.db2.gz SMUCKVRYVMIPMZ-UHFFFAOYSA-N 1 0 342.399 2.273 10 5 EEBERO Cc1cccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001481206951 1180157837 /nfs/dbraw/zinc/15/78/37/1180157837.db2.gz GHMTWTMPUKWTLD-UHFFFAOYSA-N 1 0 328.372 2.160 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1cscn1 ZINC001481322486 1181033102 /nfs/dbraw/zinc/03/31/02/1181033102.db2.gz YQHZRYOMTAJVRB-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO O=C(NCCC1CC[NH+](CCCC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001270110866 1184857478 /nfs/dbraw/zinc/85/74/78/1184857478.db2.gz DUYORLNKFFZVKC-IAGOWNOFSA-N 1 0 337.464 2.450 10 5 EEBERO Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC001482595981 1187276339 /nfs/dbraw/zinc/27/63/39/1187276339.db2.gz BRXVGDAXKRGNJB-NVXWUHKLSA-N 1 0 333.432 2.167 10 5 EEBERO C[C@@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000864618853 1197845881 /nfs/dbraw/zinc/84/58/81/1197845881.db2.gz YNCWIYXOOLPURZ-SNVBAGLBSA-N 1 0 343.330 2.071 10 5 EEBERO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001134332068 1199488291 /nfs/dbraw/zinc/48/82/91/1199488291.db2.gz BGGKVONJKPERMW-PXAZEXFGSA-N 1 0 333.388 2.017 10 5 EEBERO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)CC1(CO)CCCC1)C2 ZINC000878303279 1200386438 /nfs/dbraw/zinc/38/64/38/1200386438.db2.gz MKCNRPULBZPGHL-HNNXBMFYSA-N 1 0 334.416 2.257 10 5 EEBERO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000870252039 1200575655 /nfs/dbraw/zinc/57/56/55/1200575655.db2.gz IEQWSDLPKGLVQI-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](CC)C[NH+](C)C)cc1OC ZINC000870555540 1200741227 /nfs/dbraw/zinc/74/12/27/1200741227.db2.gz XJNOOAIUGYRGHT-LLVKDONJSA-N 1 0 340.376 2.499 10 5 EEBERO CC[C@@H](C[NH+](C)C)OC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000870555351 1200741453 /nfs/dbraw/zinc/74/14/53/1200741453.db2.gz VEUYESPIMCNJAE-JTQLQIEISA-N 1 0 326.349 2.109 10 5 EEBERO C[N@@H+]1CC[C@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@@H]21 ZINC000866205441 1201464788 /nfs/dbraw/zinc/46/47/88/1201464788.db2.gz LYNFTQZVCJKNJA-JSGCOSHPSA-N 1 0 346.387 2.082 10 5 EEBERO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866412440 1201510548 /nfs/dbraw/zinc/51/05/48/1201510548.db2.gz IYLGOAGORYLGEG-WFASDCNBSA-N 1 0 339.411 2.100 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]CCC1(C)C ZINC000866699918 1201583737 /nfs/dbraw/zinc/58/37/37/1201583737.db2.gz QFGWWYTWBYNSJQ-UHFFFAOYSA-N 1 0 334.420 2.306 10 5 EEBERO O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000866720978 1201589425 /nfs/dbraw/zinc/58/94/25/1201589425.db2.gz QHYYJLPEUQJQCL-YPMHNXCESA-N 1 0 338.795 2.013 10 5 EEBERO CC(C)C[N@H+](C)CCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000869125182 1201945835 /nfs/dbraw/zinc/94/58/35/1201945835.db2.gz SIZBEXHEWBKEOB-UHFFFAOYSA-N 1 0 325.384 2.371 10 5 EEBERO O=C(NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC001274296604 1204988751 /nfs/dbraw/zinc/98/87/51/1204988751.db2.gz BDMSTVMPOQQOLL-QQYKLGAXSA-N 1 0 329.400 2.403 10 5 EEBERO CCC1([NH+]2CCC2)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000924380977 1205966632 /nfs/dbraw/zinc/96/66/32/1205966632.db2.gz CUBZDLMFLVYQQH-UHFFFAOYSA-N 1 0 332.404 2.268 10 5 EEBERO Cc1c(CC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cccc1[N+](=O)[O-] ZINC000928104957 1206345905 /nfs/dbraw/zinc/34/59/05/1206345905.db2.gz QWDRUEDZUUHXOH-ZBFHGGJFSA-N 1 0 349.456 2.142 10 5 EEBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000929749432 1206497690 /nfs/dbraw/zinc/49/76/90/1206497690.db2.gz ODRUBDPEYHFZCL-BVGQSLNGSA-N 1 0 348.399 2.242 10 5 EEBERO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934217567 1207924803 /nfs/dbraw/zinc/92/48/03/1207924803.db2.gz IBTZGUSXGZCCTI-FZKQIMNGSA-N 1 0 344.367 2.305 10 5 EEBERO CC(C)[N@@H+]1CCO[C@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000802137670 1236979272 /nfs/dbraw/zinc/97/92/72/1236979272.db2.gz UHFDNCPKRFEMDS-INIZCTEOSA-N 1 0 336.388 2.180 10 5 EEBERO O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972460 1242803278 /nfs/dbraw/zinc/80/32/78/1242803278.db2.gz JAHANWLSIWKCLH-AWEZNQCLSA-N 1 0 339.823 2.497 10 5 EEBERO COc1cccc(C[C@@H]2CN(c3nc(C)ccc3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001187932248 1279711008 /nfs/dbraw/zinc/71/10/08/1279711008.db2.gz SNEAVBHXZDPQRQ-OAHLLOKOSA-N 1 0 342.399 2.328 10 5 EEBERO Nc1nnc(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001195719352 1283697691 /nfs/dbraw/zinc/69/76/91/1283697691.db2.gz DMCSIJSLQFNCKC-UHFFFAOYSA-N 1 0 347.375 2.209 10 5 EEBERO Cc1nc(C)c(C(=O)NC/C=C\C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001273927898 1289914565 /nfs/dbraw/zinc/91/45/65/1289914565.db2.gz JJFHBFJTVNKENF-ARJAWSKDSA-N 1 0 344.371 2.275 10 5 EEBERO [NH3+]CC12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000852858882 1292217540 /nfs/dbraw/zinc/21/75/40/1292217540.db2.gz JMAILUXMGIRHNV-UHFFFAOYSA-N 1 0 344.415 2.148 10 5 EEBERO O=[N+]([O-])c1ccccc1Cc1noc(-c2c[nH]nc2[C@@H]2CC[NH2+]C2)n1 ZINC000854134535 1292640982 /nfs/dbraw/zinc/64/09/82/1292640982.db2.gz MKNJNUDKIHDELD-LLVKDONJSA-N 1 0 340.343 2.036 10 5 EEBERO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000854515685 1292826951 /nfs/dbraw/zinc/82/69/51/1292826951.db2.gz ZHLXTZXCWIQANZ-UKRRQHHQSA-N 1 0 341.371 2.074 10 5 EEBERO CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000855491272 1293230664 /nfs/dbraw/zinc/23/06/64/1293230664.db2.gz YTNXDJVBSFJPNQ-LBPRGKRZSA-N 1 0 336.348 2.059 10 5 EEBERO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859115594 1294322779 /nfs/dbraw/zinc/32/27/79/1294322779.db2.gz ZZNXAWNQZZLQED-UHFFFAOYSA-N 1 0 331.372 2.056 10 5 EEBERO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000861347889 1295351025 /nfs/dbraw/zinc/35/10/25/1295351025.db2.gz BAHFUTKTJGIHRI-WBVHZDCISA-N 1 0 336.388 2.180 10 5 EEBERO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001138247337 1314582490 /nfs/dbraw/zinc/58/24/90/1314582490.db2.gz KCJYYEHMQHCVAP-QGZVFWFLSA-N 1 0 347.415 2.449 10 5 EEBERO O=C(CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842474335 1315712312 /nfs/dbraw/zinc/71/23/12/1315712312.db2.gz NVYKNRFPEDDDOQ-TXEJJXNPSA-N 1 0 338.795 2.013 10 5 EEBERO Cc1cc(OCC(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001149204127 1315931232 /nfs/dbraw/zinc/93/12/32/1315931232.db2.gz FZBMGOTWKRWTNL-CVEARBPZSA-N 1 0 347.415 2.271 10 5 EEBERO CC[N@H+](C)[C@@H]1CCN(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC001251305963 1317446532 /nfs/dbraw/zinc/44/65/32/1317446532.db2.gz ZKZKVELVVUONEJ-UONOGXRCSA-N 1 0 334.420 2.434 10 5 EEBERO Cc1nocc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001322672326 1333304759 /nfs/dbraw/zinc/30/47/59/1333304759.db2.gz GAVDNQLSAMGEKI-UHFFFAOYSA-N 1 0 332.360 2.143 10 5 EEBERO C[C@]12COC[C@@H]1C[N@H+](Cn1cc(-c3ccccc3[N+](=O)[O-])cn1)C2 ZINC001333721215 1336114183 /nfs/dbraw/zinc/11/41/83/1336114183.db2.gz FKRUJKPNBQMGRA-YOEHRIQHSA-N 1 0 328.372 2.384 10 5 EEBERO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001612839876 1352311688 /nfs/dbraw/zinc/31/16/88/1352311688.db2.gz ZZQBCFGQVKPKOU-CYBMUJFWSA-N 1 0 344.327 2.360 10 5 EEBERO CC1([NH+]2CCC2)CCC(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001602912321 1350605035 /nfs/dbraw/zinc/60/50/35/1350605035.db2.gz PDWUTWFTPUWXLO-UHFFFAOYSA-N 1 0 341.799 2.108 10 5 EEBERO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001606973056 1351388205 /nfs/dbraw/zinc/38/82/05/1351388205.db2.gz ZPQYVZQCKCYGHT-ZIAGYGMSSA-N 1 0 348.403 2.030 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001630601808 1352571027 /nfs/dbraw/zinc/57/10/27/1352571027.db2.gz JVMQPADOTBHGSU-MRXNPFEDSA-N 1 0 346.362 2.470 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001631423725 1352582922 /nfs/dbraw/zinc/58/29/22/1352582922.db2.gz DFGDMJXRIMVYJV-GXTWGEPZSA-N 1 0 335.404 2.340 10 5 EEBERO CC1(C)CC[N@H+](CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC001638979487 1352692686 /nfs/dbraw/zinc/69/26/86/1352692686.db2.gz GRTBONNHYSQCLR-UHFFFAOYSA-N 1 0 349.435 2.038 10 5 EEBERO CC[N@H+](CCCNC(=O)c1cnccn1)Cc1ccccc1[N+](=O)[O-] ZINC001649437292 1353504297 /nfs/dbraw/zinc/50/42/97/1353504297.db2.gz NTNOPBOVEUTCIO-UHFFFAOYSA-N 1 0 343.387 2.027 10 5 EEBERO C[C@H]1CC[C@@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccc21 ZINC001656510949 1354243738 /nfs/dbraw/zinc/24/37/38/1354243738.db2.gz KMIQJHCEZCVRBM-GUYCJALGSA-N 1 0 330.388 2.166 10 5 EEBERO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC001659746907 1354386080 /nfs/dbraw/zinc/38/60/80/1354386080.db2.gz QTHBCKSEWLLEDT-QZTJIDSGSA-N 1 0 344.367 2.098 10 5 EEBERO O=C(CC[N@@H+]1CC[C@@H](c2cnccn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001660351935 1354446540 /nfs/dbraw/zinc/44/65/40/1354446540.db2.gz JANPBDUAXDEWBZ-CYBMUJFWSA-N 1 0 341.371 2.203 10 5 EEBERO CCOCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001661441387 1354639327 /nfs/dbraw/zinc/63/93/27/1354639327.db2.gz SVPZPOOCNWTQOR-SHTZXODSSA-N 1 0 347.415 2.148 10 5 EEBERO Cc1ccncc1CC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001663988415 1355068546 /nfs/dbraw/zinc/06/85/46/1355068546.db2.gz HTDXANBRXDRZJK-UHFFFAOYSA-N 1 0 348.428 2.150 10 5 EEBERO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1c[nH]nc1C1CC1 ZINC001664286228 1355130496 /nfs/dbraw/zinc/13/04/96/1355130496.db2.gz RBTVAPIERPFQMS-UHFFFAOYSA-N 1 0 349.416 2.119 10 5 EEBERO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc2c[nH+]cn2c1 ZINC001681237678 1357966959 /nfs/dbraw/zinc/96/69/59/1357966959.db2.gz KNBBQBPQMNUTKA-UHFFFAOYSA-N 1 0 339.355 2.284 10 5 EEBERO Cc1ccc(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC001684589170 1358268865 /nfs/dbraw/zinc/26/88/65/1358268865.db2.gz IDVMJYUXYNLAFA-UHFFFAOYSA-N 1 0 334.420 2.434 10 5 EEBERO C[N+](C)(C)CCOC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000002005136 717092954 /nfs/dbraw/zinc/09/29/54/717092954.db2.gz TVEJJYBKWFNIQS-NDUPCHFUSA-N 1 0 330.448 2.336 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001143499093 765068280 /nfs/dbraw/zinc/06/82/80/765068280.db2.gz GNFKXRLSTHVZJA-CQSZACIVSA-N 1 0 332.404 2.268 10 5 EEBERO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000908350446 785342034 /nfs/dbraw/zinc/34/20/34/785342034.db2.gz YUTUZLMQVKNVQM-WFASDCNBSA-N 1 0 337.807 2.343 10 5 EEBERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819105904 785405318 /nfs/dbraw/zinc/40/53/18/785405318.db2.gz JUQLJGLNGIIWJB-GTNSWQLSSA-N 1 0 332.404 2.199 10 5 EEBERO O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000911474643 787467935 /nfs/dbraw/zinc/46/79/35/787467935.db2.gz NHRFAZXDHPZNIF-ZDUSSCGKSA-N 1 0 325.315 2.116 10 5 EEBERO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)n1 ZINC001136887218 788211137 /nfs/dbraw/zinc/21/11/37/788211137.db2.gz NGJQHHTWZLFDPR-UHFFFAOYSA-N 1 0 343.387 2.071 10 5 EEBERO COCC[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844950440 789503802 /nfs/dbraw/zinc/50/38/02/789503802.db2.gz KSOHDELMOYIUPS-TWGQIWQCSA-N 1 0 347.415 2.177 10 5 EEBERO CCCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001496697723 1101294566 /nfs/dbraw/zinc/29/45/66/1101294566.db2.gz DJZXBYLVIFCKND-IAGOWNOFSA-N 1 0 333.432 2.195 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccncc1F ZINC001498528061 1107675915 /nfs/dbraw/zinc/67/59/15/1107675915.db2.gz ACUXBRDGIAAOBU-UHFFFAOYSA-N 1 0 346.362 2.381 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC001464754971 1110402427 /nfs/dbraw/zinc/40/24/27/1110402427.db2.gz KXCWBLVHPLUXKF-CQSZACIVSA-N 1 0 332.404 2.389 10 5 EEBERO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001464801556 1110403582 /nfs/dbraw/zinc/40/35/82/1110403582.db2.gz CUHYUKMSWRTQAZ-LBPRGKRZSA-N 1 0 325.796 2.343 10 5 EEBERO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001470251535 1110503834 /nfs/dbraw/zinc/50/38/34/1110503834.db2.gz VWZYEALALSAAKN-LBPRGKRZSA-N 1 0 332.404 2.314 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC001531560963 1122453384 /nfs/dbraw/zinc/45/33/84/1122453384.db2.gz MFWRTUSWUAJCNW-AWEZNQCLSA-N 1 0 332.404 2.293 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415481778 238973398 /nfs/dbraw/zinc/97/33/98/238973398.db2.gz JBWPDNVJNDUJSO-GFCCVEGCSA-N 1 0 328.319 2.330 10 5 EEBERO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451903151 243304681 /nfs/dbraw/zinc/30/46/81/243304681.db2.gz PLAFFDQWJMTSJH-GUYCJALGSA-N 1 0 333.388 2.424 10 5 EEBERO Nc1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000264305832 246324390 /nfs/dbraw/zinc/32/43/90/246324390.db2.gz MNAOECDUQQLMGG-ZDUSSCGKSA-N 1 0 334.424 2.059 10 5 EEBERO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)n1 ZINC000359095889 291825939 /nfs/dbraw/zinc/82/59/39/291825939.db2.gz KOTGWAKHALHMNP-GDBMZVCRSA-N 1 0 347.463 2.069 10 5 EEBERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892898 292213716 /nfs/dbraw/zinc/21/37/16/292213716.db2.gz DWDCQBBENLENDZ-YPMHNXCESA-N 1 0 344.371 2.336 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115418145 152022403 /nfs/dbraw/zinc/02/24/03/152022403.db2.gz DAJAKNIUTUKXBH-UHFFFAOYSA-N 1 0 346.362 2.429 10 5 EEBERO CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000255166162 160397079 /nfs/dbraw/zinc/39/70/79/160397079.db2.gz SGCAHHUXTSJHHZ-LHYFVSQWSA-N 1 0 333.432 2.385 10 5 EEBERO Cc1c(NC(=O)CC[N@@H+](C)Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000080965431 159146905 /nfs/dbraw/zinc/14/69/05/159146905.db2.gz GVRAGMRYWHUVKH-UHFFFAOYSA-N 1 0 329.360 2.154 10 5 EEBERO Cc1cc(N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000187255473 160097302 /nfs/dbraw/zinc/09/73/02/160097302.db2.gz ZNIHCLIFTRYBCG-UHFFFAOYSA-N 1 0 345.403 2.217 10 5 EEBERO C[C@@H]1C[N@@H+](C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000193429882 160180958 /nfs/dbraw/zinc/18/09/58/160180958.db2.gz VMJQLIOMMCGGMM-CYBMUJFWSA-N 1 0 337.395 2.419 10 5 EEBERO [NH3+]C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000237844861 160226010 /nfs/dbraw/zinc/22/60/10/160226010.db2.gz IKGABVDNHLVQKY-UHFFFAOYSA-N 1 0 341.433 2.066 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248327751 160341647 /nfs/dbraw/zinc/34/16/47/160341647.db2.gz COHHGELBFOAEHM-HNNXBMFYSA-N 1 0 332.404 2.012 10 5 EEBERO O=C(CC[N@@H+]1CC[C@]2(C1)CCCOC2)Nc1ccccc1[N+](=O)[O-] ZINC000375291973 167105170 /nfs/dbraw/zinc/10/51/70/167105170.db2.gz JDQHOZKNFCSLRH-KRWDZBQOSA-N 1 0 333.388 2.426 10 5 EEBERO COCCC[NH+]1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277481490 269159279 /nfs/dbraw/zinc/15/92/79/269159279.db2.gz CLLSAGSQDYHVCR-UHFFFAOYSA-N 1 0 333.392 2.384 10 5 EEBERO C[NH+](C)[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000301824991 294899300 /nfs/dbraw/zinc/89/93/00/294899300.db2.gz DJRLNGAZWZDPFG-ZDUSSCGKSA-N 1 0 326.360 2.352 10 5 EEBERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000408025125 300318809 /nfs/dbraw/zinc/31/88/09/300318809.db2.gz OFRMECRMXGWHHR-RYUDHWBXSA-N 1 0 328.372 2.385 10 5 EEBERO CC(C)(NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000418746536 313896052 /nfs/dbraw/zinc/89/60/52/313896052.db2.gz IIEKRGRRXMOVID-GFCCVEGCSA-N 1 0 342.346 2.126 10 5 EEBERO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000437835164 315054598 /nfs/dbraw/zinc/05/45/98/315054598.db2.gz AKONDXKPBQUXII-CQSZACIVSA-N 1 0 349.435 2.338 10 5 EEBERO C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444285887 315288251 /nfs/dbraw/zinc/28/82/51/315288251.db2.gz HPYVHUPFHYUGES-JHJVBQTASA-N 1 0 332.404 2.136 10 5 EEBERO CCOc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000061605396 462592355 /nfs/dbraw/zinc/59/23/55/462592355.db2.gz IPLGOMOGFBBFLX-UHFFFAOYSA-N 1 0 333.388 2.304 10 5 EEBERO CC(=O)N[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000153945196 462711250 /nfs/dbraw/zinc/71/12/50/462711250.db2.gz KZIBBDBFPBPEHF-LBPRGKRZSA-N 1 0 343.330 2.297 10 5 EEBERO C[C@H]1CCOCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129981605 462734178 /nfs/dbraw/zinc/73/41/78/462734178.db2.gz PSKZCSIANBQAKD-NSHDSACASA-N 1 0 325.340 2.173 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000071888312 463456208 /nfs/dbraw/zinc/45/62/08/463456208.db2.gz FMGZZJAURDZSEU-LBPRGKRZSA-N 1 0 341.795 2.089 10 5 EEBERO [NH3+]CCN(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000261706902 463833911 /nfs/dbraw/zinc/83/39/11/463833911.db2.gz GTVUKLQRSGSQEG-UHFFFAOYSA-N 1 0 329.400 2.477 10 5 EEBERO COC(=O)c1cc(C)nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000283700877 463977627 /nfs/dbraw/zinc/97/76/27/463977627.db2.gz CITYWYYHRFANER-VXGBXAGGSA-N 1 0 336.392 2.370 10 5 EEBERO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000173279244 464227967 /nfs/dbraw/zinc/22/79/67/464227967.db2.gz JHUQBRQARRLYIT-OLZOCXBDSA-N 1 0 341.433 2.006 10 5 EEBERO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000272429105 464603813 /nfs/dbraw/zinc/60/38/13/464603813.db2.gz GFTHHZNXSIJKKF-JTQLQIEISA-N 1 0 349.840 2.175 10 5 EEBERO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)n1 ZINC000176228841 464725638 /nfs/dbraw/zinc/72/56/38/464725638.db2.gz GZGBKFFZNJJXQX-CYBMUJFWSA-N 1 0 330.344 2.357 10 5 EEBERO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000183093980 464796258 /nfs/dbraw/zinc/79/62/58/464796258.db2.gz GIRHUKWODRSHBB-NOZJJQNGSA-N 1 0 327.768 2.344 10 5 EEBERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282432815 464817167 /nfs/dbraw/zinc/81/71/67/464817167.db2.gz RLRWAOQMMMENHL-KCJUWKMLSA-N 1 0 342.193 2.114 10 5 EEBERO C[C@H]1CCCC[N@@H+]1CCCCNc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000298744225 465490187 /nfs/dbraw/zinc/49/01/87/465490187.db2.gz YBYRCUWACHUYII-LBPRGKRZSA-N 1 0 335.408 2.155 10 5 EEBERO Cc1c(NC(=O)CCN2C[C@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000252443642 464956217 /nfs/dbraw/zinc/95/62/17/464956217.db2.gz DCDOVKBVGMZCTH-UKRRQHHQSA-N 1 0 346.431 2.400 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593919200 468433235 /nfs/dbraw/zinc/43/32/35/468433235.db2.gz NWNYLFLWJAKKHL-IAOVAPTHSA-N 1 0 347.415 2.404 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600006999 468434870 /nfs/dbraw/zinc/43/48/70/468434870.db2.gz JWUKSRKSNJDONX-UHFFFAOYSA-N 1 0 347.415 2.230 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000366655023 465856183 /nfs/dbraw/zinc/85/61/83/465856183.db2.gz XPSDVZFMDYPDDF-QGZVFWFLSA-N 1 0 349.431 2.290 10 5 EEBERO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([N+](=O)[O-])cc1OC ZINC000600209074 468496317 /nfs/dbraw/zinc/49/63/17/468496317.db2.gz WXTOIOPTWZRBRR-SUMWQHHRSA-N 1 0 336.388 2.206 10 5 EEBERO C[C@@H]1CCCN(c2ccc(C(=O)NCC[NH2+]C3CC3)cc2[N+](=O)[O-])C1 ZINC000591679151 468500972 /nfs/dbraw/zinc/50/09/72/468500972.db2.gz CRJDYMKMPYPBSN-CYBMUJFWSA-N 1 0 346.431 2.313 10 5 EEBERO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCCCC2)C1 ZINC000365437864 466818316 /nfs/dbraw/zinc/81/83/16/466818316.db2.gz OVZBIMWKAQOUSP-UHFFFAOYSA-N 1 0 333.388 2.107 10 5 EEBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418601241 467134223 /nfs/dbraw/zinc/13/42/23/467134223.db2.gz UJLZJZQMEOVMOC-SWLSCSKDSA-N 1 0 332.404 2.267 10 5 EEBERO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000378261299 467245912 /nfs/dbraw/zinc/24/59/12/467245912.db2.gz BEERJEFHRQCWLB-CQSZACIVSA-N 1 0 332.404 2.102 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413103 467400747 /nfs/dbraw/zinc/40/07/47/467400747.db2.gz ZRDMDWWKIMHMDK-HUUCEWRRSA-N 1 0 346.431 2.306 10 5 EEBERO Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000408029478 467496885 /nfs/dbraw/zinc/49/68/85/467496885.db2.gz XWGNJXJLTLOEJV-IAGOWNOFSA-N 1 0 342.399 2.361 10 5 EEBERO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000448965645 467608420 /nfs/dbraw/zinc/60/84/20/467608420.db2.gz YCFKKQSHCLUZCN-LLVKDONJSA-N 1 0 337.351 2.051 10 5 EEBERO C[C@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000449935949 467746743 /nfs/dbraw/zinc/74/67/43/467746743.db2.gz AQUCSQRSDPXKFP-LBPRGKRZSA-N 1 0 344.371 2.014 10 5 EEBERO C[C@H]1C[NH+](CCCNc2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000487905209 468058866 /nfs/dbraw/zinc/05/88/66/468058866.db2.gz AGIQPBIORYUIQE-KBPBESRZSA-N 1 0 344.415 2.476 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000590375032 468242498 /nfs/dbraw/zinc/24/24/98/468242498.db2.gz DZIOEAFBNNIBPE-SFHVURJKSA-N 1 0 347.415 2.299 10 5 EEBERO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000590390307 468244881 /nfs/dbraw/zinc/24/48/81/468244881.db2.gz XNSOZFAFXOFWCT-CQSZACIVSA-N 1 0 347.415 2.229 10 5 EEBERO O=C(NCC12CCC[NH+]1CCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000597586980 468608568 /nfs/dbraw/zinc/60/85/68/468608568.db2.gz LTGNMNYSMXVVTA-UHFFFAOYSA-N 1 0 328.372 2.434 10 5 EEBERO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000592184750 468647945 /nfs/dbraw/zinc/64/79/45/468647945.db2.gz OZGCTLYTYLADOD-CYBMUJFWSA-N 1 0 331.294 2.095 10 5 EEBERO C[C@H]1CC[C@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600777442 468655315 /nfs/dbraw/zinc/65/53/15/468655315.db2.gz UEUWOVSOMIQUAX-WFASDCNBSA-N 1 0 329.404 2.225 10 5 EEBERO COc1cc(C[NH2+]CCO[C@H]2CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000594971145 468735008 /nfs/dbraw/zinc/73/50/08/468735008.db2.gz WHOUVWAVJFCOJH-ZDUSSCGKSA-N 1 0 332.303 2.126 10 5 EEBERO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(F)c1 ZINC000594988783 468739006 /nfs/dbraw/zinc/73/90/06/468739006.db2.gz DQAIRHOSDGROQD-IAGOWNOFSA-N 1 0 349.406 2.467 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000595026345 468745062 /nfs/dbraw/zinc/74/50/62/468745062.db2.gz KYUFIXGIBMKFSG-OHTBPHCPSA-N 1 0 333.388 2.263 10 5 EEBERO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[N@@H+]1C1CC1 ZINC000601127653 468753490 /nfs/dbraw/zinc/75/34/90/468753490.db2.gz MLQAHIHCABZGAU-SFYZADRCSA-N 1 0 333.314 2.384 10 5 EEBERO CN(CC1C[NH+](C)C1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598158247 468780735 /nfs/dbraw/zinc/78/07/35/468780735.db2.gz DVLCIPOIIDVOKU-UHFFFAOYSA-N 1 0 331.294 2.247 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000601335872 468830816 /nfs/dbraw/zinc/83/08/16/468830816.db2.gz ZDQDRNNXPZPDGM-HIFRSBDPSA-N 1 0 343.387 2.219 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1 ZINC000593024691 468842951 /nfs/dbraw/zinc/84/29/51/468842951.db2.gz KLCKQZHHUDNDGE-HWWQOWPSSA-N 1 0 336.388 2.363 10 5 EEBERO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2(CCC2)CO1 ZINC000593091057 468867091 /nfs/dbraw/zinc/86/70/91/468867091.db2.gz DKVPXPUEMSKLJN-CYBMUJFWSA-N 1 0 345.399 2.127 10 5 EEBERO Cc1noc(CN2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000595515359 468884635 /nfs/dbraw/zinc/88/46/35/468884635.db2.gz CZBFPEUYSMUJLD-CZUORRHYSA-N 1 0 335.335 2.191 10 5 EEBERO CC[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536199 468904828 /nfs/dbraw/zinc/90/48/28/468904828.db2.gz OJJRVCOUZUGCAR-DZGCQCFKSA-N 1 0 346.431 2.408 10 5 EEBERO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000595568633 468906299 /nfs/dbraw/zinc/90/62/99/468906299.db2.gz RSDIQGVOUKKCRP-OAHLLOKOSA-N 1 0 334.420 2.309 10 5 EEBERO C[C@]1(C2CC2)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000595624560 468927003 /nfs/dbraw/zinc/92/70/03/468927003.db2.gz COSIYBFMVSCTJF-QGZVFWFLSA-N 1 0 333.388 2.424 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000595630920 468930801 /nfs/dbraw/zinc/93/08/01/468930801.db2.gz CXAIGNAIXSDRIO-VBNZEHGJSA-N 1 0 338.404 2.259 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595752298 468988159 /nfs/dbraw/zinc/98/81/59/468988159.db2.gz WSTPOVGRKZVPIW-KRWDZBQOSA-N 1 0 334.372 2.118 10 5 EEBERO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@](O)(C4CC4)C3)o2)cc1 ZINC000595753274 468990976 /nfs/dbraw/zinc/99/09/76/468990976.db2.gz XYCQDHMGZFWCRL-KRWDZBQOSA-N 1 0 344.371 2.382 10 5 EEBERO CCC1([NH+](C)C)CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000601792631 469029427 /nfs/dbraw/zinc/02/94/27/469029427.db2.gz ZIQYYIZYOMYPPR-UHFFFAOYSA-N 1 0 337.424 2.388 10 5 EEBERO COc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1O ZINC000599000844 469083499 /nfs/dbraw/zinc/08/34/99/469083499.db2.gz XRLGJCXQLIONPX-AWEZNQCLSA-N 1 0 335.404 2.416 10 5 EEBERO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000587454908 469090328 /nfs/dbraw/zinc/09/03/28/469090328.db2.gz KMMDKFRPIFRARC-JHJVBQTASA-N 1 0 336.436 2.448 10 5 EEBERO CN(CCC[N@H+](C)Cc1ccco1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588083419 469113235 /nfs/dbraw/zinc/11/32/35/469113235.db2.gz TZRFAKBZQZVGTR-UHFFFAOYSA-N 1 0 348.403 2.221 10 5 EEBERO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000599104280 469119982 /nfs/dbraw/zinc/11/99/82/469119982.db2.gz UXAPJTUPLHAJTH-UHFFFAOYSA-N 1 0 347.396 2.195 10 5 EEBERO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000601973078 469122195 /nfs/dbraw/zinc/12/21/95/469122195.db2.gz CFQGCFUVYMGKDQ-IYBDPMFKSA-N 1 0 335.429 2.388 10 5 EEBERO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccco1 ZINC000573635982 469175238 /nfs/dbraw/zinc/17/52/38/469175238.db2.gz BIIYVBWKHPXHHI-SMDDNHRTSA-N 1 0 332.360 2.442 10 5 EEBERO O=[N+]([O-])c1cncc(Cl)c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596268660 469227675 /nfs/dbraw/zinc/22/76/75/469227675.db2.gz NTXJFUUCVMHPIO-UHFFFAOYSA-N 1 0 340.811 2.334 10 5 EEBERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000599626099 469314441 /nfs/dbraw/zinc/31/44/41/469314441.db2.gz UEKDECKHMNFMBA-RWNPNPFLSA-N 1 0 333.388 2.102 10 5 EEBERO O=C(CC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599639596 469319007 /nfs/dbraw/zinc/31/90/07/469319007.db2.gz JNFOTYZDRAMZAP-SUMWQHHRSA-N 1 0 333.388 2.018 10 5 EEBERO COC[C@]1(C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000599699505 469343018 /nfs/dbraw/zinc/34/30/18/469343018.db2.gz SUGYAQNUURZTLQ-KRWDZBQOSA-N 1 0 347.371 2.487 10 5 EEBERO Cc1nn(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764988884 577492443 /nfs/dbraw/zinc/49/24/43/577492443.db2.gz FHZOKDORCOUGDY-HNNXBMFYSA-N 1 0 329.404 2.379 10 5 EEBERO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000762520910 577702676 /nfs/dbraw/zinc/70/26/76/577702676.db2.gz DYRATBUPCPCVOT-UHFFFAOYSA-N 1 0 328.372 2.324 10 5 EEBERO O=C(CC(F)(F)F)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001266669767 1177123865 /nfs/dbraw/zinc/12/38/65/1177123865.db2.gz IXOOHTRSKKDSKG-PHIMTYICSA-N 1 0 331.294 2.284 10 5 EEBERO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C2CC2)on1 ZINC001481263057 1180505453 /nfs/dbraw/zinc/50/54/53/1180505453.db2.gz TZWZHDMORDZIKP-UHFFFAOYSA-N 1 0 344.371 2.322 10 5 EEBERO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1snnc1C ZINC001482911767 1187837925 /nfs/dbraw/zinc/83/79/25/1187837925.db2.gz PGKXOJNBBROPNK-UHFFFAOYSA-N 1 0 349.416 2.007 10 5 EEBERO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1)c1cncs1 ZINC001273048448 1194351690 /nfs/dbraw/zinc/35/16/90/1194351690.db2.gz TUCBIKMQJUAFQT-UHFFFAOYSA-N 1 0 346.412 2.494 10 5 EEBERO COCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031981 1198031305 /nfs/dbraw/zinc/03/13/05/1198031305.db2.gz OQUJEWCYJJIQLA-STQMWFEESA-N 1 0 325.384 2.495 10 5 EEBERO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC000872047646 1198034481 /nfs/dbraw/zinc/03/44/81/1198034481.db2.gz CEBYFNNXMMKMCQ-QWRGUYRKSA-N 1 0 349.366 2.137 10 5 EEBERO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCSC2)c1 ZINC000872217434 1198092488 /nfs/dbraw/zinc/09/24/88/1198092488.db2.gz WIUSZPIRKKCJDQ-JSGCOSHPSA-N 1 0 326.418 2.067 10 5 EEBERO CC[C@H](CO)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865566552 1198279344 /nfs/dbraw/zinc/27/93/44/1198279344.db2.gz KQCYCDOQIPACBJ-LLVKDONJSA-N 1 0 329.347 2.425 10 5 EEBERO CCNc1ccc(C(=O)NCc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC001133795946 1199069430 /nfs/dbraw/zinc/06/94/30/1199069430.db2.gz GEDOUTYHCIZJLO-UHFFFAOYSA-N 1 0 343.387 2.418 10 5 EEBERO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000866386650 1201505295 /nfs/dbraw/zinc/50/52/95/1201505295.db2.gz DFDSWMNAFVPPIT-QMTHXVAHSA-N 1 0 337.351 2.238 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866721811 1201589842 /nfs/dbraw/zinc/58/98/42/1201589842.db2.gz PXISOCVURBCGBS-GDBMZVCRSA-N 1 0 332.404 2.058 10 5 EEBERO C[N@@H+]1C[C@@H]2CN(C(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)C[C@]2(C)C1 ZINC000887921961 1204507337 /nfs/dbraw/zinc/50/73/37/1204507337.db2.gz VFCRLZCEMWCGPH-QAPCUYQASA-N 1 0 343.427 2.427 10 5 EEBERO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1cscn1 ZINC001276265960 1205861341 /nfs/dbraw/zinc/86/13/41/1205861341.db2.gz ZFNBCJIRLKBMFV-UHFFFAOYSA-N 1 0 348.428 2.232 10 5 EEBERO C[C@@H]1CN(C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000930439517 1206557896 /nfs/dbraw/zinc/55/78/96/1206557896.db2.gz ISROMBQHOOVAKI-CQSZACIVSA-N 1 0 349.431 2.095 10 5 EEBERO CC(F)(F)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001491326124 1258953067 /nfs/dbraw/zinc/95/30/67/1258953067.db2.gz DCHWFWYCAWYFJU-JYAVWHMHSA-N 1 0 339.342 2.187 10 5 EEBERO O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852585000 1292139336 /nfs/dbraw/zinc/13/93/36/1292139336.db2.gz WECFOBPYIJPGDU-CHWSQXEVSA-N 1 0 339.779 2.080 10 5 EEBERO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858457662 1294121816 /nfs/dbraw/zinc/12/18/16/1294121816.db2.gz LIKFMAGNJSMBGV-UHFFFAOYSA-N 1 0 345.399 2.446 10 5 EEBERO O=C1OC[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]12 ZINC000862544566 1295872996 /nfs/dbraw/zinc/87/29/96/1295872996.db2.gz BNFYJNUIRHDVLX-IUODEOHRSA-N 1 0 328.324 2.460 10 5 EEBERO Cc1cccnc1C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277027857 1300941266 /nfs/dbraw/zinc/94/12/66/1300941266.db2.gz IFPNGFHVGOOLPB-UHFFFAOYSA-N 1 0 340.383 2.350 10 5 EEBERO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161124 1315493401 /nfs/dbraw/zinc/49/34/01/1315493401.db2.gz KAHVTQBPVIBLIX-RNFRBKRXSA-N 1 0 331.170 2.215 10 5 EEBERO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841856155 1315625066 /nfs/dbraw/zinc/62/50/66/1315625066.db2.gz OVWHYHTZJWYLCO-TVQRCGJNSA-N 1 0 326.784 2.045 10 5 EEBERO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841891071 1315631428 /nfs/dbraw/zinc/63/14/28/1315631428.db2.gz HODKRAFYTKFWLJ-RYUDHWBXSA-N 1 0 327.812 2.135 10 5 EEBERO CCN(OC)C(=O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000843430528 1315913956 /nfs/dbraw/zinc/91/39/56/1315913956.db2.gz LZJSCZLJZYOPKO-UKRRQHHQSA-N 1 0 335.404 2.306 10 5 EEBERO CCOCCC(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001265189192 1322976539 /nfs/dbraw/zinc/97/65/39/1322976539.db2.gz JRVBACPWPMRRIN-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO CCCC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001281208817 1324876208 /nfs/dbraw/zinc/87/62/08/1324876208.db2.gz RVASUPZMIWTWFL-UHFFFAOYSA-N 1 0 335.404 2.150 10 5 EEBERO Cc1ccc(CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001282295172 1325680905 /nfs/dbraw/zinc/68/09/05/1325680905.db2.gz QYKRYLQFUNXFGA-IAGOWNOFSA-N 1 0 347.459 2.277 10 5 EEBERO CCc1nc(C(=O)NCCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])co1 ZINC001316817933 1331849494 /nfs/dbraw/zinc/84/94/94/1331849494.db2.gz RTGWFPOHTDDXJD-UHFFFAOYSA-N 1 0 346.387 2.397 10 5 EEBERO O=C(COC1CCCC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001323396740 1333454933 /nfs/dbraw/zinc/45/49/33/1333454933.db2.gz KCWIDNOSSVEXIO-UHFFFAOYSA-N 1 0 347.415 2.292 10 5 EEBERO CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001326449875 1334096727 /nfs/dbraw/zinc/09/67/27/1334096727.db2.gz RKTHOZXTRQPXPY-IAGOWNOFSA-N 1 0 331.416 2.366 10 5 EEBERO CC[C@H](NC(=O)COC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000934209785 1339067520 /nfs/dbraw/zinc/06/75/20/1339067520.db2.gz ROCPDRVEXUDPAO-INIZCTEOSA-N 1 0 335.404 2.273 10 5 EEBERO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001620670126 1352361609 /nfs/dbraw/zinc/36/16/09/1352361609.db2.gz HUZXAUCCMFMOMQ-ACJLOTCBSA-N 1 0 344.415 2.474 10 5 EEBERO C[NH+](C)C1(C)CCC(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC001557991219 1342461868 /nfs/dbraw/zinc/46/18/68/1342461868.db2.gz FLOGGMIZAGSSEX-UHFFFAOYSA-N 1 0 338.383 2.309 10 5 EEBERO C[N@H+](CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)C1CC1 ZINC001597738515 1349930949 /nfs/dbraw/zinc/93/09/49/1349930949.db2.gz JSJAHLSUTWAWML-UHFFFAOYSA-N 1 0 328.372 2.154 10 5 EEBERO C[C@@H](CCNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[NH+](C)C ZINC001640241217 1352707601 /nfs/dbraw/zinc/70/76/01/1352707601.db2.gz YQDYAKPYIPRLGL-NSHDSACASA-N 1 0 330.388 2.400 10 5 EEBERO CNc1nccc(C(=O)NC2CCC(C)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001643870415 1352754557 /nfs/dbraw/zinc/75/45/57/1352754557.db2.gz MTORFZQNJSBJAM-UHFFFAOYSA-N 1 0 335.408 2.024 10 5 EEBERO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001648309691 1353424022 /nfs/dbraw/zinc/42/40/22/1353424022.db2.gz CDEFKPZYGWPIGD-HNNXBMFYSA-N 1 0 346.431 2.245 10 5 EEBERO Cc1nn(C)c(N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC001652343091 1354088703 /nfs/dbraw/zinc/08/87/03/1354088703.db2.gz YBACKZVLIWEMHT-ZDUSSCGKSA-N 1 0 335.795 2.441 10 5 EEBERO Cn1nccc1C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001660693781 1354517993 /nfs/dbraw/zinc/51/79/93/1354517993.db2.gz CEYDKEMHDHWYON-INIZCTEOSA-N 1 0 330.388 2.414 10 5 EEBERO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CCOCC1 ZINC001667638409 1355773104 /nfs/dbraw/zinc/77/31/04/1355773104.db2.gz MXLNPRPNUVPEHC-UHFFFAOYSA-N 1 0 349.431 2.302 10 5 EEBERO COCCOc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818964544 785331180 /nfs/dbraw/zinc/33/11/80/785331180.db2.gz ZFOKMPLCDWSFEF-SFHVURJKSA-N 1 0 346.383 2.443 10 5 EEBERO O=C(N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C12CC[NH+](CC1)C2 ZINC000908969024 785887983 /nfs/dbraw/zinc/88/79/83/785887983.db2.gz PVDVLKOXHFZLRC-HNNXBMFYSA-N 1 0 329.400 2.397 10 5 EEBERO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000912650819 788281984 /nfs/dbraw/zinc/28/19/84/788281984.db2.gz PSZGGJHYUKDSOW-AAEUAGOBSA-N 1 0 336.392 2.030 10 5 EEBERO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCC([NH+]3CCC3)CC2)c1F ZINC000912872338 788436575 /nfs/dbraw/zinc/43/65/75/788436575.db2.gz YGVZEIVZAHPSNP-UHFFFAOYSA-N 1 0 339.342 2.492 10 5 EEBERO C[C@H](C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000913278570 788738664 /nfs/dbraw/zinc/73/86/64/788738664.db2.gz IQAUIASYVHBETG-KKXDTOCCSA-N 1 0 331.416 2.499 10 5 EEBERO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536332 789737611 /nfs/dbraw/zinc/73/76/11/789737611.db2.gz KGYZHSRCHQRURN-DYVFJYSZSA-N 1 0 332.404 2.140 10 5 EEBERO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](CCCCO)CC1 ZINC000845492451 789813455 /nfs/dbraw/zinc/81/34/55/789813455.db2.gz JJTAPKQZIKMUOB-UHFFFAOYSA-N 1 0 330.388 2.038 10 5 EEBERO C[C@H]1CN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC[N@@H+]1C1CCCC1 ZINC001177712718 799089314 /nfs/dbraw/zinc/08/93/14/799089314.db2.gz JHAOKACXOYSGOM-VIFPVBQESA-N 1 0 341.799 2.060 10 5 EEBERO O=C(c1csc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922860169 802087216 /nfs/dbraw/zinc/08/72/16/802087216.db2.gz GAIRITDVHZBFSR-UHFFFAOYSA-N 1 0 339.417 2.030 10 5 EEBERO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OCC[NH+]1CCCCC1 ZINC000808561560 812736582 /nfs/dbraw/zinc/73/65/82/812736582.db2.gz KPQCGAGJBWCJMV-UHFFFAOYSA-N 1 0 328.315 2.445 10 5 EEBERO COCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001480148654 1099717686 /nfs/dbraw/zinc/71/76/86/1099717686.db2.gz HFHGCWLOOBANBA-HDJSIYSDSA-N 1 0 335.404 2.004 10 5 EEBERO C[NH+](C)[C@@H]1[C@H]2CN(c3c4cc([N+](=O)[O-])ccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC001458383151 1109866279 /nfs/dbraw/zinc/86/62/79/1109866279.db2.gz LCJWCSVFLGHNPP-JYAVWHMHSA-N 1 0 343.343 2.047 10 5 EEBERO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(c2ccnn2C)CC1 ZINC001460724911 1110322116 /nfs/dbraw/zinc/32/21/16/1110322116.db2.gz SKMQSXRPJQMRIW-ZDUSSCGKSA-N 1 0 330.388 2.373 10 5 EEBERO O=C1OCC[C@@]12CC[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC001460970186 1110330374 /nfs/dbraw/zinc/33/03/74/1110330374.db2.gz DCQCSIHQBBMJLF-QGZVFWFLSA-N 1 0 343.339 2.389 10 5 EEBERO C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC001468225685 1110470605 /nfs/dbraw/zinc/47/06/05/1110470605.db2.gz MYBXZTQPYNVHFZ-UHFFFAOYSA-N 1 0 347.415 2.451 10 5 EEBERO Cc1cccnc1[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC001473866533 1110582884 /nfs/dbraw/zinc/58/28/84/1110582884.db2.gz IIFCCOKEPMLEBC-GOEBONIOSA-N 1 0 347.419 2.233 10 5 EEBERO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001538545722 1124029784 /nfs/dbraw/zinc/02/97/84/1124029784.db2.gz DFYLLZIGWZUMBX-OAHLLOKOSA-N 1 0 335.404 2.162 10 5 EEBERO CC[NH+](CC)CC1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001542527276 1124113898 /nfs/dbraw/zinc/11/38/98/1124113898.db2.gz VPVWCHAETQIGDG-UHFFFAOYSA-N 1 0 343.815 2.165 10 5 EEBERO CC[NH+](CC)[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)CC(C)C ZINC001542930442 1124117753 /nfs/dbraw/zinc/11/77/53/1124117753.db2.gz IPVRFQICVFTZGR-ZDUSSCGKSA-N 1 0 337.424 2.058 10 5 EEBERO Cc1c[nH]cc1C(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001569266224 1125206380 /nfs/dbraw/zinc/20/63/80/1125206380.db2.gz ZZGCXKBPZPWQOS-UHFFFAOYSA-N 1 0 330.388 2.483 10 5 EEBERO C[C@@H](Nc1c2cc(Br)ccc2ncc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000381793237 539938958 /nfs/dbraw/zinc/93/89/58/539938958.db2.gz SOSFTHFYJZLIHB-JGVFFNPUSA-N 1 0 339.193 2.475 10 5 EEBERO C[C@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000037985575 213185369 /nfs/dbraw/zinc/18/53/69/213185369.db2.gz VNRNGYRVPTUOMA-MRVPVSSYSA-N 1 0 330.182 2.037 10 5 EEBERO C[N@@H+]1CCCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000037247018 213136707 /nfs/dbraw/zinc/13/67/07/213136707.db2.gz KTXGNOHQPXIFNL-UHFFFAOYSA-N 1 0 342.193 2.135 10 5 EEBERO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420380199 239795033 /nfs/dbraw/zinc/79/50/33/239795033.db2.gz RJDFKSASSQQTCW-KRWDZBQOSA-N 1 0 343.387 2.220 10 5 EEBERO COC[C@@](C)(CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000132558053 223342764 /nfs/dbraw/zinc/34/27/64/223342764.db2.gz ZOOJIKBWQLSRKM-MRXNPFEDSA-N 1 0 326.393 2.259 10 5 EEBERO C[C@@H]1COC2(CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000075143591 216580918 /nfs/dbraw/zinc/58/09/18/216580918.db2.gz ACALTWDBGVIESM-CYBMUJFWSA-N 1 0 349.387 2.151 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000495240969 247096492 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339.342 2.111 10 5 EEBERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000343620089 161151976 /nfs/dbraw/zinc/15/19/76/161151976.db2.gz UKTYYZLFHDWIIH-LBPRGKRZSA-N 1 0 343.383 2.462 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000344777204 161245191 /nfs/dbraw/zinc/24/51/91/161245191.db2.gz PUELRZAQDKLOJX-HNNXBMFYSA-N 1 0 347.415 2.367 10 5 EEBERO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000376564904 167351942 /nfs/dbraw/zinc/35/19/42/167351942.db2.gz FFMRNZFLGCVNJO-UHFFFAOYSA-N 1 0 332.404 2.140 10 5 EEBERO Cc1c(NC(=O)NCC[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280722848 269386677 /nfs/dbraw/zinc/38/66/77/269386677.db2.gz JTLRYELYFWOWHM-UHFFFAOYSA-N 1 0 345.197 2.349 10 5 EEBERO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000153801625 274270045 /nfs/dbraw/zinc/27/00/45/274270045.db2.gz LVPIWQNQJWGPLG-NWDGAFQWSA-N 1 0 327.812 2.135 10 5 EEBERO C[C@@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 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EEBERO Cc1cc(N2CCN(c3ccnc(C)n3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292524127 464261211 /nfs/dbraw/zinc/26/12/11/464261211.db2.gz HGOZZCQTOQVVAL-UHFFFAOYSA-N 1 0 331.351 2.467 10 5 EEBERO O=[N+]([O-])c1cnn(CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000174863955 464459589 /nfs/dbraw/zinc/45/95/89/464459589.db2.gz JPENFDGIYLDFJO-MRXNPFEDSA-N 1 0 335.452 2.379 10 5 EEBERO C[C@H]1CC[C@H](NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000599917562 468413628 /nfs/dbraw/zinc/41/36/28/468413628.db2.gz SOOKPJRDAFWYOV-ZFWWWQNUSA-N 1 0 334.420 2.357 10 5 EEBERO C[N@@H+]1CCC[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC[C@H]21 ZINC000246978489 464639572 /nfs/dbraw/zinc/63/95/72/464639572.db2.gz JWVCDVRMAAPSAN-DZGCQCFKSA-N 1 0 344.415 2.400 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCOC1(C)C ZINC000295218691 464749678 /nfs/dbraw/zinc/74/96/78/464749678.db2.gz MXNLRQDEAKHHHO-CQSZACIVSA-N 1 0 337.376 2.089 10 5 EEBERO C[C@H]1CCCN(c2ccc(C(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000339860751 465556671 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HKCZFKNCZISDEY-GFCCVEGCSA-N 1 0 343.387 2.021 10 5 EEBERO COc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000417184277 466797258 /nfs/dbraw/zinc/79/72/58/466797258.db2.gz BWAFOXXOLHWFGT-PBWFPOADSA-N 1 0 348.403 2.028 10 5 EEBERO C[C@@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000450952213 467213798 /nfs/dbraw/zinc/21/37/98/467213798.db2.gz HMEBDYDAUAAZJI-CYBMUJFWSA-N 1 0 337.420 2.275 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413102 467400247 /nfs/dbraw/zinc/40/02/47/467400247.db2.gz ZRDMDWWKIMHMDK-GJZGRUSLSA-N 1 0 346.431 2.306 10 5 EEBERO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000589518304 468160068 /nfs/dbraw/zinc/16/00/68/468160068.db2.gz GGIFDNHHGGHVII-CZUORRHYSA-N 1 0 347.415 2.440 10 5 EEBERO C[C@@H]1CC[C@@H](N[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600712179 468628552 /nfs/dbraw/zinc/62/85/52/468628552.db2.gz XJHJYLKVFWPWRH-XPKDYRNWSA-N 1 0 329.404 2.148 10 5 EEBERO C[C@@H]1CC[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600712177 468628833 /nfs/dbraw/zinc/62/88/33/468628833.db2.gz XJHJYLKVFWPWRH-IVMMDQJWSA-N 1 0 329.404 2.148 10 5 EEBERO C[NH+]1CCC2(CC1)CN(Cc1c(F)cc([N+](=O)[O-])cc1F)CCO2 ZINC000592183867 468647503 /nfs/dbraw/zinc/64/75/03/468647503.db2.gz CNJYLVWSNSEQGC-UHFFFAOYSA-N 1 0 341.358 2.170 10 5 EEBERO O=[N+]([O-])c1ccc(CCO)c(-c2cccc([C@@H]3COCC[NH2+]3)c2)c1 ZINC000600793881 468659568 /nfs/dbraw/zinc/65/95/68/468659568.db2.gz PRLLWDLFUGNFDI-SFHVURJKSA-N 1 0 328.368 2.458 10 5 EEBERO CCN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](CC)C1 ZINC000598040089 468746643 /nfs/dbraw/zinc/74/66/43/468746643.db2.gz CDTFCCPVTKOAGG-CQSZACIVSA-N 1 0 335.404 2.306 10 5 EEBERO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nccn1C ZINC000595107626 468760223 /nfs/dbraw/zinc/76/02/23/468760223.db2.gz OWRVOCFTBAOCOI-RYUDHWBXSA-N 1 0 331.376 2.396 10 5 EEBERO CCC1([NH+](C)C)CCN(c2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000601229189 468790192 /nfs/dbraw/zinc/79/01/92/468790192.db2.gz IDSMDOYVXLIKLF-UHFFFAOYSA-N 1 0 334.420 2.265 10 5 EEBERO COc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000601326207 468828128 /nfs/dbraw/zinc/82/81/28/468828128.db2.gz KSPXDWYFHPYVMJ-MWLCHTKSSA-N 1 0 345.346 2.231 10 5 EEBERO Cc1cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601368071 468844003 /nfs/dbraw/zinc/84/40/03/468844003.db2.gz JQXMGNHFUMTSQN-JTQLQIEISA-N 1 0 349.478 2.219 10 5 EEBERO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC000595761720 468993679 /nfs/dbraw/zinc/99/36/79/468993679.db2.gz ZGNSSNWLIOHEEA-GDZNZVCISA-N 1 0 333.388 2.199 10 5 EEBERO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCc2[nH+]ccc(N)c2C1 ZINC000598943685 469059544 /nfs/dbraw/zinc/05/95/44/469059544.db2.gz VUQBAMOWCJWOTM-UHFFFAOYSA-N 1 0 342.355 2.230 10 5 EEBERO C[NH+](C)CCC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906730 469074614 /nfs/dbraw/zinc/07/46/14/469074614.db2.gz MKJXUIGURUVING-KRWDZBQOSA-N 1 0 337.420 2.016 10 5 EEBERO [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000593726551 469111134 /nfs/dbraw/zinc/11/11/34/469111134.db2.gz NTQMXUJFFJZKOB-NVXWUHKLSA-N 1 0 335.404 2.019 10 5 EEBERO CN(CCC[NH+](C)C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000596425684 469262718 /nfs/dbraw/zinc/26/27/18/469262718.db2.gz URGVDYNDQOEVOZ-UHFFFAOYSA-N 1 0 331.420 2.438 10 5 EEBERO CN1CCN(Cc2ccccc2)[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596549901 469299105 /nfs/dbraw/zinc/29/91/05/469299105.db2.gz BPXLZAYNMDSHNR-QGZVFWFLSA-N 1 0 341.415 2.218 10 5 EEBERO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000595635002 485608297 /nfs/dbraw/zinc/60/82/97/485608297.db2.gz SJRSPPUNBDUCOE-NORZTCDRSA-N 1 0 348.403 2.127 10 5 EEBERO CC[NH+](CC)[C@@H](C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179568531 528234536 /nfs/dbraw/zinc/23/45/36/528234536.db2.gz WKKXCCUJKFCGHJ-VIFPVBQESA-N 1 0 335.451 2.202 10 5 EEBERO Cc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(N)c([N+](=O)[O-])c1 ZINC000730841339 577061862 /nfs/dbraw/zinc/06/18/62/577061862.db2.gz IHKFYFXFOFNXOL-STQMWFEESA-N 1 0 334.420 2.478 10 5 EEBERO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000731677942 577116052 /nfs/dbraw/zinc/11/60/52/577116052.db2.gz CNQFLWSGBSWRAU-GFCCVEGCSA-N 1 0 344.293 2.177 10 5 EEBERO CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732036461 577143136 /nfs/dbraw/zinc/14/31/36/577143136.db2.gz RODRZHLLUZKMHU-SNVBAGLBSA-N 1 0 325.315 2.182 10 5 EEBERO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)n2)c1 ZINC000756881764 577852259 /nfs/dbraw/zinc/85/22/59/577852259.db2.gz HAUREUPTFLSPSJ-GDBMZVCRSA-N 1 0 343.387 2.312 10 5 EEBERO COc1cc(F)c([N+](=O)[O-])c(NCCCC[NH+]2CCOCC2)c1 ZINC000741750191 578123533 /nfs/dbraw/zinc/12/35/33/578123533.db2.gz FKYBTGNPDYKWSP-UHFFFAOYSA-N 1 0 327.356 2.267 10 5 EEBERO Cc1c(Br)c(N2C[C@@H](C)[C@H](CC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000723905370 676823579 /nfs/dbraw/zinc/82/35/79/676823579.db2.gz INJBEQJHOYBZFH-PSASIEDQSA-N 1 0 343.225 2.482 10 5 EEBERO O=[N+]([O-])c1ccc(OCCN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261877587 681950418 /nfs/dbraw/zinc/95/04/18/681950418.db2.gz YBBCVRUCKMFROO-QGZVFWFLSA-N 1 0 328.372 2.015 10 5 EEBERO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1nc(CN(C)C)cs1 ZINC000927765981 682034756 /nfs/dbraw/zinc/03/47/56/682034756.db2.gz XEMACRKXUIMQHJ-UHFFFAOYSA-N 1 0 334.401 2.351 10 5 EEBERO C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000928441854 683165156 /nfs/dbraw/zinc/16/51/56/683165156.db2.gz PNTVBGYAAARGGO-PRHODGIISA-N 1 0 331.294 2.436 10 5 EEBERO Cc1c(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)ccn1C ZINC001690974775 1176408142 /nfs/dbraw/zinc/40/81/42/1176408142.db2.gz GPVUBJLMJLARSD-UHFFFAOYSA-N 1 0 330.388 2.104 10 5 EEBERO CCN(CCNC(=O)CC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001267238808 1178580857 /nfs/dbraw/zinc/58/08/57/1178580857.db2.gz TXJZBBVYRCWSAB-UHFFFAOYSA-N 1 0 333.310 2.485 10 5 EEBERO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCc1ccccn1 ZINC001267412111 1178973793 /nfs/dbraw/zinc/97/37/93/1178973793.db2.gz JRUYFAQCSJWYGB-UHFFFAOYSA-N 1 0 342.399 2.171 10 5 EEBERO O=C(NCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cc[nH]c1 ZINC001481169292 1179976174 /nfs/dbraw/zinc/97/61/74/1179976174.db2.gz NCIKWFHMIMDKRG-UHFFFAOYSA-N 1 0 328.372 2.317 10 5 EEBERO Cc1ccc(CC(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)o1 ZINC001269398430 1184237903 /nfs/dbraw/zinc/23/79/03/1184237903.db2.gz LIRVFXGPAGVBGK-UHFFFAOYSA-N 1 0 343.383 2.477 10 5 EEBERO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001485250572 1191703917 /nfs/dbraw/zinc/70/39/17/1191703917.db2.gz JSMHXTMJKUDWLZ-HZPDHXFCSA-N 1 0 333.432 2.234 10 5 EEBERO C[NH+](C)C1(C)CCC(NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000871362018 1197700022 /nfs/dbraw/zinc/70/00/22/1197700022.db2.gz KOQBZLYPKOFLGB-GNHJJJEISA-N 1 0 335.404 2.007 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872146952 1198053581 /nfs/dbraw/zinc/05/35/81/1198053581.db2.gz BJWGVRXATLYCCZ-ZYHUDNBSSA-N 1 0 333.310 2.172 10 5 EEBERO CC(C)(O)C[N@@H+]1CC[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000865996541 1198448475 /nfs/dbraw/zinc/44/84/75/1198448475.db2.gz JMKULFPPBAHAOQ-LBPRGKRZSA-N 1 0 330.388 2.400 10 5 EEBERO CC(C)[NH+]1CCN(c2ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc2)CC1 ZINC000813102133 1201097396 /nfs/dbraw/zinc/09/73/96/1201097396.db2.gz OASDAQVPHTYYGM-AWEZNQCLSA-N 1 0 335.404 2.039 10 5 EEBERO COC(=O)Cc1ccc(N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000866113029 1201435966 /nfs/dbraw/zinc/43/59/66/1201435966.db2.gz PDOASFNYEMCKBH-UHFFFAOYSA-N 1 0 335.404 2.231 10 5 EEBERO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414019 1201511729 /nfs/dbraw/zinc/51/17/29/1201511729.db2.gz YLMYVMLREJANTN-STQMWFEESA-N 1 0 337.420 2.099 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000866446987 1201520049 /nfs/dbraw/zinc/52/00/49/1201520049.db2.gz HBJOGSIVYAOVEX-MTJZNWHXSA-N 1 0 345.399 2.325 10 5 EEBERO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000866446989 1201520207 /nfs/dbraw/zinc/52/02/07/1201520207.db2.gz HBJOGSIVYAOVEX-VTDIYHRSSA-N 1 0 345.399 2.325 10 5 EEBERO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866531871 1201542558 /nfs/dbraw/zinc/54/25/58/1201542558.db2.gz JEDLFXFQVJRSHQ-TZMCWYRMSA-N 1 0 335.404 2.413 10 5 EEBERO C[C@H]1[C@@H](NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@@H+]1C ZINC000928455130 1206387321 /nfs/dbraw/zinc/38/73/21/1206387321.db2.gz SOIFIRDUPWLTIM-YOEHRIQHSA-N 1 0 349.434 2.364 10 5 EEBERO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3C[C@@H]4COC[C@H]4O3)CC2)cc1 ZINC000929749447 1206497514 /nfs/dbraw/zinc/49/75/14/1206497514.db2.gz ODRUBDPEYHFZCL-JEBQAFNWSA-N 1 0 348.399 2.242 10 5 EEBERO O=[N+]([O-])c1ccc(OC2CC[NH+](CCO[C@@H]3CCOC3)CC2)cc1 ZINC000929748118 1206497613 /nfs/dbraw/zinc/49/76/13/1206497613.db2.gz IMWNCUFIYIBZFR-QGZVFWFLSA-N 1 0 336.388 2.244 10 5 EEBERO CCO[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000931296917 1206622977 /nfs/dbraw/zinc/62/29/77/1206622977.db2.gz CVODOBLDCYGPGA-SNVBAGLBSA-N 1 0 344.799 2.336 10 5 EEBERO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903485775 1240624429 /nfs/dbraw/zinc/62/44/29/1240624429.db2.gz QLLPBYBTYFAGHK-HNNXBMFYSA-N 1 0 332.404 2.106 10 5 EEBERO COC[C@@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000850485073 1277243362 /nfs/dbraw/zinc/24/33/62/1277243362.db2.gz BBIBEBLRFAPOCQ-QGZVFWFLSA-N 1 0 337.420 2.205 10 5 EEBERO C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850500014 1277248816 /nfs/dbraw/zinc/24/88/16/1277248816.db2.gz CACMSZDZCOSGTD-ABAIWWIYSA-N 1 0 340.383 2.415 10 5 EEBERO CC1(C)OC[C@H](CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000851723856 1277729591 /nfs/dbraw/zinc/72/95/91/1277729591.db2.gz LVNZUKDUEHYKRB-AWEZNQCLSA-N 1 0 335.404 2.258 10 5 EEBERO C[C@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000857764754 1293910661 /nfs/dbraw/zinc/91/06/61/1293910661.db2.gz ZUFWXEQAWPFILJ-QWRGUYRKSA-N 1 0 343.330 2.071 10 5 EEBERO CCOCCC(=O)N1CCC([N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001277385679 1302774353 /nfs/dbraw/zinc/77/43/53/1302774353.db2.gz RUXBQMGTZZKUKF-UHFFFAOYSA-N 1 0 349.431 2.444 10 5 EEBERO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1C[NH+]2CCC1CC2 ZINC001158267344 1319126715 /nfs/dbraw/zinc/12/67/15/1319126715.db2.gz AMLZSYXGZRRWOD-AWEZNQCLSA-N 1 0 335.379 2.125 10 5 EEBERO CC/C(C)=C/C(=O)NC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCCC1 ZINC001318632227 1332570550 /nfs/dbraw/zinc/57/05/50/1332570550.db2.gz KNARSHULSPIFRM-UKTHLTGXSA-N 1 0 349.435 2.203 10 5 EEBERO COC(=O)[C@H]1[C@H](C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)C1(F)F ZINC001332704188 1335886953 /nfs/dbraw/zinc/88/69/53/1335886953.db2.gz DMFAENTYTTXBOQ-NWDGAFQWSA-N 1 0 328.315 2.474 10 5 EEBERO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001616346160 1352328105 /nfs/dbraw/zinc/32/81/05/1352328105.db2.gz JGRIPXXNPUJHSB-KRWDZBQOSA-N 1 0 347.415 2.305 10 5 EEBERO C[C@@H]([NH2+][C@H]1CCCn2nccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001560096221 1342507571 /nfs/dbraw/zinc/50/75/71/1342507571.db2.gz POZGKELXPVADFV-RISCZKNCSA-N 1 0 329.360 2.243 10 5 EEBERO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001625506661 1352450522 /nfs/dbraw/zinc/45/05/22/1352450522.db2.gz IXXSLZFDHIJITJ-YRGRVCCFSA-N 1 0 334.420 2.394 10 5 EEBERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC001630205094 1352565399 /nfs/dbraw/zinc/56/53/99/1352565399.db2.gz YRKKHMIOTPIKGH-GHMZBOCLSA-N 1 0 340.811 2.433 10 5 EEBERO O=[N+]([O-])c1ccc(N2CC([NH2+][C@H]3CCOC3)C2)cc1C(F)(F)F ZINC001643236911 1352743572 /nfs/dbraw/zinc/74/35/72/1352743572.db2.gz DRJLPHHIXSWEJL-VIFPVBQESA-N 1 0 331.294 2.181 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001646288949 1352825830 /nfs/dbraw/zinc/82/58/30/1352825830.db2.gz PFYGADXEDFZSHV-OAHLLOKOSA-N 1 0 347.415 2.130 10 5 EEBERO C/C(=C\C(=O)Nc1ccnn1CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000818944036 785335721 /nfs/dbraw/zinc/33/57/21/785335721.db2.gz KIHSCETXQXJNRZ-OUKQBFOZSA-N 1 0 343.387 2.395 10 5 EEBERO C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000912598293 788254950 /nfs/dbraw/zinc/25/49/50/788254950.db2.gz FJTNZWKVPGRZSP-KBPBESRZSA-N 1 0 335.379 2.265 10 5 EEBERO Cc1cc(OCC(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000913279995 788739805 /nfs/dbraw/zinc/73/98/05/788739805.db2.gz ZEEJVCAOVAJKBB-QZTJIDSGSA-N 1 0 347.415 2.082 10 5 EEBERO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913293132 788769774 /nfs/dbraw/zinc/76/97/74/788769774.db2.gz JIBGSGLNBRZXBM-CALCHBBNSA-N 1 0 333.388 2.017 10 5 EEBERO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2c[nH]nc21 ZINC001175212031 798032881 /nfs/dbraw/zinc/03/28/81/798032881.db2.gz ZWSKCIVYQARNCS-NSHDSACASA-N 1 0 329.360 2.266 10 5 EEBERO CC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000922171971 799642764 /nfs/dbraw/zinc/64/27/64/799642764.db2.gz MMJJJQSGZZCJQT-UHFFFAOYSA-N 1 0 336.367 2.017 10 5 EEBERO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000922735488 801762759 /nfs/dbraw/zinc/76/27/59/801762759.db2.gz QLAFJRSTEKONIA-UHFFFAOYSA-N 1 0 328.434 2.372 10 5 EEBERO CCNC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000792925103 810072647 /nfs/dbraw/zinc/07/26/47/810072647.db2.gz IEHAYRRXCAZYCX-CVEARBPZSA-N 1 0 335.404 2.009 10 5 EEBERO