smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCC[NH+]1Cc2ccccc2C1)c1c(F)cccc1[N+](=O)[O-] ZINC001542613670 1124114691 /nfs/dbraw/zinc/11/46/91/1124114691.db2.gz KUSDOCLCNZUNFM-UHFFFAOYSA-N 1 2 329.331 2.480 10 5 EEBELO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001543359086 1124128643 /nfs/dbraw/zinc/12/86/43/1124128643.db2.gz UKHQSAFKKRAVRJ-OAHLLOKOSA-N 1 2 329.360 2.015 10 5 EEBELO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001543359086 1124128645 /nfs/dbraw/zinc/12/86/45/1124128645.db2.gz UKHQSAFKKRAVRJ-OAHLLOKOSA-N 1 2 329.360 2.015 10 5 EEBELO Cc1[nH]c(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]c1C ZINC001545362439 1124188885 /nfs/dbraw/zinc/18/88/85/1124188885.db2.gz WMPJGKMXBWETEG-UHFFFAOYSA-N 1 2 327.344 2.275 10 5 EEBELO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3noc(C4CC4)n3)CCCC2)n1 ZINC000176270609 207209397 /nfs/dbraw/zinc/20/93/97/207209397.db2.gz JSTPYJVDTLRJIM-UHFFFAOYSA-N 1 2 332.364 2.111 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000273500291 256301631 /nfs/dbraw/zinc/30/16/31/256301631.db2.gz YPVSNSISZGNXND-UHFFFAOYSA-N 1 2 340.383 2.256 10 5 EEBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273712796 256320814 /nfs/dbraw/zinc/32/08/14/256320814.db2.gz ONYHSFFOIRQTOJ-LBPRGKRZSA-N 1 2 331.351 2.407 10 5 EEBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000191330572 152249540 /nfs/dbraw/zinc/24/95/40/152249540.db2.gz KGKSULRRPGSPQK-CQSZACIVSA-N 1 2 348.403 2.150 10 5 EEBELO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000248415998 160345084 /nfs/dbraw/zinc/34/50/84/160345084.db2.gz ILUMGNBXARDVRR-BLLLJJGKSA-N 1 2 339.823 2.401 10 5 EEBELO COc1cc(CN2CCCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000352541529 162178590 /nfs/dbraw/zinc/17/85/90/162178590.db2.gz YXGMLUHOZLNEDV-INIZCTEOSA-N 1 2 349.431 2.290 10 5 EEBELO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc(O)c1[N+](=O)[O-] ZINC000359376128 164123437 /nfs/dbraw/zinc/12/34/37/164123437.db2.gz UIOSCVSODXQQFZ-UHFFFAOYSA-N 1 2 341.367 2.089 10 5 EEBELO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccc(O)c1[N+](=O)[O-] ZINC000359376128 164123438 /nfs/dbraw/zinc/12/34/38/164123438.db2.gz UIOSCVSODXQQFZ-UHFFFAOYSA-N 1 2 341.367 2.089 10 5 EEBELO CCOC(=O)C1(COC)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000373468949 166895502 /nfs/dbraw/zinc/89/55/02/166895502.db2.gz LHMAVCLSGUQQKD-UHFFFAOYSA-N 1 2 342.417 2.448 10 5 EEBELO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272288517 274166963 /nfs/dbraw/zinc/16/69/63/274166963.db2.gz DZNAINDVCATFEB-DOMZBBRYSA-N 1 2 335.404 2.262 10 5 EEBELO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272288517 274166964 /nfs/dbraw/zinc/16/69/64/274166964.db2.gz DZNAINDVCATFEB-DOMZBBRYSA-N 1 2 335.404 2.262 10 5 EEBELO O=c1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)[nH][nH]1 ZINC000288789464 275085582 /nfs/dbraw/zinc/08/55/82/275085582.db2.gz CFJBEPIRWSMWJK-UHFFFAOYSA-N 1 2 337.767 2.039 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000301362065 294849336 /nfs/dbraw/zinc/84/93/36/294849336.db2.gz QNZWKJCBIYZGJI-UHFFFAOYSA-N 1 2 346.362 2.460 10 5 EEBELO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000411697321 312564408 /nfs/dbraw/zinc/56/44/08/312564408.db2.gz RWTCCLLFPQIAAN-UHFFFAOYSA-N 1 2 347.375 2.394 10 5 EEBELO C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421012551 314024545 /nfs/dbraw/zinc/02/45/45/314024545.db2.gz JNYDGLUHKFTXKI-KOLCDFICSA-N 1 2 327.768 2.032 10 5 EEBELO C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000421012551 314024549 /nfs/dbraw/zinc/02/45/49/314024549.db2.gz JNYDGLUHKFTXKI-KOLCDFICSA-N 1 2 327.768 2.032 10 5 EEBELO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000337300271 465294440 /nfs/dbraw/zinc/29/44/40/465294440.db2.gz QXHHYQAWJQBRAC-UHFFFAOYSA-N 1 2 326.356 2.261 10 5 EEBELO O=c1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc2sccn21 ZINC000153317228 462638748 /nfs/dbraw/zinc/63/87/48/462638748.db2.gz PXCNRVTYHDFCQJ-UHFFFAOYSA-N 1 2 342.380 2.223 10 5 EEBELO O=c1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc2sccn21 ZINC000153317228 462638754 /nfs/dbraw/zinc/63/87/54/462638754.db2.gz PXCNRVTYHDFCQJ-UHFFFAOYSA-N 1 2 342.380 2.223 10 5 EEBELO C[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)CS(C)(=O)=O ZINC000135229807 463131778 /nfs/dbraw/zinc/13/17/78/463131778.db2.gz WCVGBMXDLOWNBA-LBPRGKRZSA-N 1 2 326.418 2.240 10 5 EEBELO C[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)CS(C)(=O)=O ZINC000135229807 463131781 /nfs/dbraw/zinc/13/17/81/463131781.db2.gz WCVGBMXDLOWNBA-LBPRGKRZSA-N 1 2 326.418 2.240 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173313585 464237763 /nfs/dbraw/zinc/23/77/63/464237763.db2.gz WBGWPFFLGWNORX-MLGOLLRUSA-N 1 2 343.387 2.492 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173313585 464237766 /nfs/dbraw/zinc/23/77/66/464237766.db2.gz WBGWPFFLGWNORX-MLGOLLRUSA-N 1 2 343.387 2.492 10 5 EEBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000174848064 464458945 /nfs/dbraw/zinc/45/89/45/464458945.db2.gz FMYPIQZNIDMQHY-UHFFFAOYSA-N 1 2 329.335 2.470 10 5 EEBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000174848064 464458951 /nfs/dbraw/zinc/45/89/51/464458951.db2.gz FMYPIQZNIDMQHY-UHFFFAOYSA-N 1 2 329.335 2.470 10 5 EEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000371280614 465685004 /nfs/dbraw/zinc/68/50/04/465685004.db2.gz QZIDDVZUTKKGLV-SECBINFHSA-N 1 2 332.385 2.327 10 5 EEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000371280614 465685011 /nfs/dbraw/zinc/68/50/11/465685011.db2.gz QZIDDVZUTKKGLV-SECBINFHSA-N 1 2 332.385 2.327 10 5 EEBELO C[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000357821976 466240255 /nfs/dbraw/zinc/24/02/55/466240255.db2.gz XLQLKXZRPBAQGQ-ZYHUDNBSSA-N 1 2 329.360 2.236 10 5 EEBELO C[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000357821976 466240262 /nfs/dbraw/zinc/24/02/62/466240262.db2.gz XLQLKXZRPBAQGQ-ZYHUDNBSSA-N 1 2 329.360 2.236 10 5 EEBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366003939 467023149 /nfs/dbraw/zinc/02/31/49/467023149.db2.gz ZAORYAVLPLLJBQ-ZDUSSCGKSA-N 1 2 333.388 2.248 10 5 EEBELO Cc1nsc(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000582554462 468557715 /nfs/dbraw/zinc/55/77/15/468557715.db2.gz NNZJYKWJNIURKL-UHFFFAOYSA-N 1 2 333.417 2.385 10 5 EEBELO COc1cc(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1OC ZINC000591953710 468582004 /nfs/dbraw/zinc/58/20/04/468582004.db2.gz OXQGMIWHWVTRNL-JTQLQIEISA-N 1 2 328.390 2.035 10 5 EEBELO COc1cc(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1OC ZINC000591953710 468582008 /nfs/dbraw/zinc/58/20/08/468582008.db2.gz OXQGMIWHWVTRNL-JTQLQIEISA-N 1 2 328.390 2.035 10 5 EEBELO CC(C)c1ccc(C[NH+]2CCN(c3nncn3C)CC2)cc1[N+](=O)[O-] ZINC000594612408 468636503 /nfs/dbraw/zinc/63/65/03/468636503.db2.gz JQNCRWSWBKJJND-UHFFFAOYSA-N 1 2 344.419 2.169 10 5 EEBELO CN(CCCn1cc[nH+]c1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601131547 468755195 /nfs/dbraw/zinc/75/51/95/468755195.db2.gz MMNPUTSLFGUVJD-UHFFFAOYSA-N 1 2 332.286 2.070 10 5 EEBELO Cn1nc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000601148761 468761366 /nfs/dbraw/zinc/76/13/66/468761366.db2.gz GMMFSJBIGPOSGX-GOSISDBHSA-N 1 2 340.383 2.479 10 5 EEBELO Cc1[nH+]c[nH]c1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571950373 468862581 /nfs/dbraw/zinc/86/25/81/468862581.db2.gz KGGMDYIJMOBAMQ-UHFFFAOYSA-N 1 2 327.344 2.009 10 5 EEBELO Cc1[nH]c[nH+]c1CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571950373 468862585 /nfs/dbraw/zinc/86/25/85/468862585.db2.gz KGGMDYIJMOBAMQ-UHFFFAOYSA-N 1 2 327.344 2.009 10 5 EEBELO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000587061867 469084380 /nfs/dbraw/zinc/08/43/80/469084380.db2.gz KTHBMEQYBDZJFB-JTQLQIEISA-N 1 2 325.328 2.017 10 5 EEBELO O=c1[nH]ccc2c1C[N@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000617319602 469644517 /nfs/dbraw/zinc/64/45/17/469644517.db2.gz ALLLMVRSMVZUNB-UHFFFAOYSA-N 1 2 343.339 2.025 10 5 EEBELO O=c1[nH]ccc2c1C[N@@H+](Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000617319602 469644520 /nfs/dbraw/zinc/64/45/20/469644520.db2.gz ALLLMVRSMVZUNB-UHFFFAOYSA-N 1 2 343.339 2.025 10 5 EEBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747474196 577945141 /nfs/dbraw/zinc/94/51/41/577945141.db2.gz XXHPUCZNWUKJSW-QGZVFWFLSA-N 1 2 347.371 2.353 10 5 EEBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747474196 577945142 /nfs/dbraw/zinc/94/51/42/577945142.db2.gz XXHPUCZNWUKJSW-QGZVFWFLSA-N 1 2 347.371 2.353 10 5 EEBELO COC(C)(C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000928592309 684457270 /nfs/dbraw/zinc/45/72/70/684457270.db2.gz NFOAPAPCDTXYMR-LLVKDONJSA-N 1 2 332.360 2.324 10 5 EEBELO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1F ZINC001266390945 1176464652 /nfs/dbraw/zinc/46/46/52/1176464652.db2.gz SXGGHLXOGAOZLL-TZMCWYRMSA-N 1 2 343.786 2.082 10 5 EEBELO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1F ZINC001266390945 1176464655 /nfs/dbraw/zinc/46/46/55/1176464655.db2.gz SXGGHLXOGAOZLL-TZMCWYRMSA-N 1 2 343.786 2.082 10 5 EEBELO C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049450 1198035703 /nfs/dbraw/zinc/03/57/03/1198035703.db2.gz SUXGRGSSIPGLPJ-SNVBAGLBSA-N 1 2 330.381 2.209 10 5 EEBELO O=C(N[C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000872283080 1198127517 /nfs/dbraw/zinc/12/75/17/1198127517.db2.gz CJRRWFHHZXKQEG-WBVHZDCISA-N 1 2 342.355 2.222 10 5 EEBELO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1c1cc[nH+]cc1 ZINC000881633594 1201730388 /nfs/dbraw/zinc/73/03/88/1201730388.db2.gz YSADNDMTMDDDPQ-LBPRGKRZSA-N 1 2 342.355 2.046 10 5 EEBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC001276755031 1297424239 /nfs/dbraw/zinc/42/42/39/1297424239.db2.gz VWHMSAOGZKLMRW-QMMMGPOBSA-N 1 2 328.250 2.461 10 5 EEBELO Nc1cc([N+](=O)[O-])ccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC001292945627 1328558559 /nfs/dbraw/zinc/55/85/59/1328558559.db2.gz DMZMDNPVYVREMR-UHFFFAOYSA-N 1 2 329.360 2.194 10 5 EEBELO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839712630 1315236509 /nfs/dbraw/zinc/23/65/09/1315236509.db2.gz KHQOGIGEFFNDRX-JXJLXUTGSA-N 1 2 341.770 2.006 10 5 EEBELO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839712630 1315236511 /nfs/dbraw/zinc/23/65/11/1315236511.db2.gz KHQOGIGEFFNDRX-JXJLXUTGSA-N 1 2 341.770 2.006 10 5 EEBELO Cc1cccn2cc(CCNc3ccc([N+](=O)[O-])c(C(N)=O)c3)[nH+]c12 ZINC001162670050 1320925363 /nfs/dbraw/zinc/92/53/63/1320925363.db2.gz STNASEIWZOZFAT-UHFFFAOYSA-N 1 2 339.355 2.304 10 5 EEBELO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)CCO1 ZINC001339152642 1336967132 /nfs/dbraw/zinc/96/71/32/1336967132.db2.gz UGAJHVUGJLBHMR-CHWSQXEVSA-N 1 2 344.371 2.420 10 5 EEBELO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001350815393 1337757821 /nfs/dbraw/zinc/75/78/21/1337757821.db2.gz RBFDAOKSERBJDV-UHFFFAOYSA-N 1 2 328.372 2.342 10 5 EEBELO CC(C)c1[nH]cc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[nH+]1 ZINC001612974123 1352312784 /nfs/dbraw/zinc/31/27/84/1352312784.db2.gz IETYPMZODZTBOF-UHFFFAOYSA-N 1 2 338.389 2.457 10 5 EEBELO CC(C)c1[nH]c(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c[nH+]1 ZINC001612974123 1352312785 /nfs/dbraw/zinc/31/27/85/1352312785.db2.gz IETYPMZODZTBOF-UHFFFAOYSA-N 1 2 338.389 2.457 10 5 EEBELO CCc1[nH]c(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC001643240548 1352743545 /nfs/dbraw/zinc/74/35/45/1352743545.db2.gz HIWIIJRFJKPUEU-UHFFFAOYSA-N 1 2 342.315 2.371 10 5 EEBELO CCc1[nH]cc(CNc2c3cc([N+](=O)[O-])ccc3ncc2[N+](=O)[O-])[nH+]1 ZINC001643240548 1352743550 /nfs/dbraw/zinc/74/35/50/1352743550.db2.gz HIWIIJRFJKPUEU-UHFFFAOYSA-N 1 2 342.315 2.371 10 5 EEBELO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468316070 1110472452 /nfs/dbraw/zinc/47/24/52/1110472452.db2.gz MJLXHNQVCMYIBD-QWRGUYRKSA-N 1 2 327.743 2.116 10 5 EEBELO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468316070 1110472453 /nfs/dbraw/zinc/47/24/53/1110472453.db2.gz MJLXHNQVCMYIBD-QWRGUYRKSA-N 1 2 327.743 2.116 10 5 EEBELO CCOC(=O)c1noc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000459388196 245100855 /nfs/dbraw/zinc/10/08/55/245100855.db2.gz OJNURQDHNMJOHU-GFCCVEGCSA-N 1 2 334.332 2.395 10 5 EEBELO CCOc1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000106152323 204188146 /nfs/dbraw/zinc/18/81/46/204188146.db2.gz IVRMTAVEEFNHQE-UHFFFAOYSA-N 1 2 343.387 2.106 10 5 EEBELO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000177225061 207311009 /nfs/dbraw/zinc/31/10/09/207311009.db2.gz 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465633539 /nfs/dbraw/zinc/63/35/39/465633539.db2.gz QOLTXPPVDRYZSQ-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO COc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000371176860 465633545 /nfs/dbraw/zinc/63/35/45/465633545.db2.gz QOLTXPPVDRYZSQ-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO C[NH+](C)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000348629603 465717360 /nfs/dbraw/zinc/71/73/60/465717360.db2.gz FXFGOZSEZXXAKV-CQSZACIVSA-N 1 2 343.383 2.203 10 5 EEBELO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000372275521 466267325 /nfs/dbraw/zinc/26/73/25/466267325.db2.gz WWRQLQNBCMIFAO-NEPJUHHUSA-N 1 2 328.390 2.199 10 5 EEBELO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000372275521 466267330 /nfs/dbraw/zinc/26/73/30/466267330.db2.gz WWRQLQNBCMIFAO-NEPJUHHUSA-N 1 2 328.390 2.199 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])c3cccnc13)CC2 ZINC000373300108 466758716 /nfs/dbraw/zinc/75/87/16/466758716.db2.gz HTFNBYZAIJEHNJ-UHFFFAOYSA-N 1 2 337.339 2.304 10 5 EEBELO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCc2c1cccc2[N+](=O)[O-] ZINC000593477710 468998345 /nfs/dbraw/zinc/99/83/45/468998345.db2.gz IHCQBSVZEYSKAG-UHFFFAOYSA-N 1 2 326.356 2.259 10 5 EEBELO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)O1 ZINC000601763021 469010985 /nfs/dbraw/zinc/01/09/85/469010985.db2.gz WYSZZKZOLDPQFF-NTZNESFSSA-N 1 2 330.344 2.076 10 5 EEBELO CCC(F)(F)C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000598996878 469082289 /nfs/dbraw/zinc/08/22/89/469082289.db2.gz QUXUUYFRYBECMZ-UHFFFAOYSA-N 1 2 332.303 2.282 10 5 EEBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCN(c4ncns4)CC3)c2c1 ZINC000599088592 469114938 /nfs/dbraw/zinc/11/49/38/469114938.db2.gz HYAOIUCIGALVOL-UHFFFAOYSA-N 1 2 342.384 2.321 10 5 EEBELO O=C(C[N@@H+]1CCC12CCOCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000618318258 469960621 /nfs/dbraw/zinc/96/06/21/469960621.db2.gz MAFBDLCUEVLCOQ-UHFFFAOYSA-N 1 2 339.779 2.442 10 5 EEBELO O=C(C[N@H+]1CCC12CCOCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000618318258 469960628 /nfs/dbraw/zinc/96/06/28/469960628.db2.gz MAFBDLCUEVLCOQ-UHFFFAOYSA-N 1 2 339.779 2.442 10 5 EEBELO CC(C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCOC1 ZINC000452187127 534956702 /nfs/dbraw/zinc/95/67/02/534956702.db2.gz CNUAQJMWTWPEBR-AWEZNQCLSA-N 1 2 344.371 2.420 10 5 EEBELO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814633 577193608 /nfs/dbraw/zinc/19/36/08/577193608.db2.gz SGNTVVDAVAZUIF-GFCCVEGCSA-N 1 2 349.284 2.329 10 5 EEBELO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732814633 577193609 /nfs/dbraw/zinc/19/36/09/577193609.db2.gz SGNTVVDAVAZUIF-GFCCVEGCSA-N 1 2 349.284 2.329 10 5 EEBELO CCC1(CC)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000769228613 577572897 /nfs/dbraw/zinc/57/28/97/577572897.db2.gz CWZCAMPKBFFSLE-CMJOXMDJSA-N 1 2 340.445 2.251 10 5 EEBELO CCC1(CC)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000769228613 577572898 /nfs/dbraw/zinc/57/28/98/577572898.db2.gz CWZCAMPKBFFSLE-CMJOXMDJSA-N 1 2 340.445 2.251 10 5 EEBELO C[N@@H+]1CCO[C@H](CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000311395323 682570326 /nfs/dbraw/zinc/57/03/26/682570326.db2.gz DPIOYOYAJJYOJJ-SECBINFHSA-N 1 2 330.182 2.100 10 5 EEBELO C[N@H+]1CCO[C@H](CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000311395323 682570328 /nfs/dbraw/zinc/57/03/28/682570328.db2.gz DPIOYOYAJJYOJJ-SECBINFHSA-N 1 2 330.182 2.100 10 5 EEBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000898483145 693331756 /nfs/dbraw/zinc/33/17/56/693331756.db2.gz HVFFVLNRPHMGRP-LLVKDONJSA-N 1 2 329.759 2.412 10 5 EEBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000898483145 693331761 /nfs/dbraw/zinc/33/17/61/693331761.db2.gz HVFFVLNRPHMGRP-LLVKDONJSA-N 1 2 329.759 2.412 10 5 EEBELO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[NH+](C2CC2)CC1 ZINC000124858770 1198808652 /nfs/dbraw/zinc/80/86/52/1198808652.db2.gz JRZQDCCSNHEWDT-UHFFFAOYSA-N 1 2 344.415 2.115 10 5 EEBELO Cc1[nH]c(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[nH+]c1C ZINC001187676810 1279613300 /nfs/dbraw/zinc/61/33/00/1279613300.db2.gz FPQJYBFYSYIEPB-UHFFFAOYSA-N 1 2 330.391 2.012 10 5 EEBELO CCOc1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c([N+](=O)[O-])cc1OC ZINC000857989090 1293981480 /nfs/dbraw/zinc/98/14/80/1293981480.db2.gz OPAGGIVALSOTOH-LLVKDONJSA-N 1 2 346.343 2.073 10 5 EEBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001637159200 1352673983 /nfs/dbraw/zinc/67/39/83/1352673983.db2.gz QOPPBGKMNGOGCR-SNVBAGLBSA-N 1 2 328.353 2.361 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001653830841 1354133492 /nfs/dbraw/zinc/13/34/92/1354133492.db2.gz XDIUWWDUCGQMHT-NEPJUHHUSA-N 1 2 325.315 2.429 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001653830841 1354133495 /nfs/dbraw/zinc/13/34/95/1354133495.db2.gz XDIUWWDUCGQMHT-NEPJUHHUSA-N 1 2 325.315 2.429 10 5 EEBELO Cc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)nn1 ZINC000929247244 797035573 /nfs/dbraw/zinc/03/55/73/797035573.db2.gz MSJFCNPFFHRTCI-UHFFFAOYSA-N 1 2 327.388 2.324 10 5 EEBELO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC001197305060 1126154278 /nfs/dbraw/zinc/15/42/78/1126154278.db2.gz VKIBWTAQCVFXRQ-GOSISDBHSA-N 1 2 346.383 2.392 10 5 EEBELO C[C@H]1CN=C(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)S1 ZINC001451893284 1098014424 /nfs/dbraw/zinc/01/44/24/1098014424.db2.gz XMQLUPPOAGGKSQ-VIFPVBQESA-N 1 2 331.357 2.002 10 5 EEBELO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC001471525265 1110524414 /nfs/dbraw/zinc/52/44/14/1110524414.db2.gz HCOZHZRXHIHSLF-CQSZACIVSA-N 1 2 325.328 2.291 10 5 EEBELO Cn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000071275996 202343792 /nfs/dbraw/zinc/34/37/92/202343792.db2.gz YEXXZRJRQNPQTM-UHFFFAOYSA-N 1 2 339.149 2.021 10 5 EEBELO CC(C)(NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368296022 166084764 /nfs/dbraw/zinc/08/47/64/166084764.db2.gz IPVIORMUERSNND-GFCCVEGCSA-N 1 2 343.387 2.410 10 5 EEBELO CC(C)(NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368296022 166084765 /nfs/dbraw/zinc/08/47/65/166084765.db2.gz IPVIORMUERSNND-GFCCVEGCSA-N 1 2 343.387 2.410 10 5 EEBELO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@]2(CCOC2)O1 ZINC000374018323 167004397 /nfs/dbraw/zinc/00/43/97/167004397.db2.gz NOLGTVPXGSOPFS-DOTOQJQBSA-N 1 2 336.388 2.373 10 5 EEBELO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@]2(CCOC2)O1 ZINC000374018323 167004399 /nfs/dbraw/zinc/00/43/99/167004399.db2.gz NOLGTVPXGSOPFS-DOTOQJQBSA-N 1 2 336.388 2.373 10 5 EEBELO CCCc1[nH]nc(C(=O)N2CCC(n3c[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000375381982 167123477 /nfs/dbraw/zinc/12/34/77/167123477.db2.gz VNUJSKDRRZGIOG-UHFFFAOYSA-N 1 2 346.391 2.253 10 5 EEBELO CCCc1n[nH]c(C(=O)N2CCC(n3c[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000375381982 167123478 /nfs/dbraw/zinc/12/34/78/167123478.db2.gz VNUJSKDRRZGIOG-UHFFFAOYSA-N 1 2 346.391 2.253 10 5 EEBELO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275703076 269136939 /nfs/dbraw/zinc/13/69/39/269136939.db2.gz RRDCXFSZSXOVJJ-ZDUSSCGKSA-N 1 2 330.392 2.282 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414055492 312964162 /nfs/dbraw/zinc/96/41/62/312964162.db2.gz XWTDBMOLTALTJH-UHFFFAOYSA-N 1 2 335.404 2.086 10 5 EEBELO COCC[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000117285002 462792623 /nfs/dbraw/zinc/79/26/23/462792623.db2.gz ZUBCLQAVOUZDSU-LLVKDONJSA-N 1 2 341.795 2.041 10 5 EEBELO COCC[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000117285002 462792627 /nfs/dbraw/zinc/79/26/27/462792627.db2.gz ZUBCLQAVOUZDSU-LLVKDONJSA-N 1 2 341.795 2.041 10 5 EEBELO CO[C@@H](C)c1noc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000081563643 463460075 /nfs/dbraw/zinc/46/00/75/463460075.db2.gz HFCFDUOSDYCUDY-NSHDSACASA-N 1 2 336.348 2.196 10 5 EEBELO CO[C@@H](C)c1noc(C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000081563643 463460082 /nfs/dbraw/zinc/46/00/82/463460082.db2.gz HFCFDUOSDYCUDY-NSHDSACASA-N 1 2 336.348 2.196 10 5 EEBELO O=C(Nc1ccncc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000183548142 464877370 /nfs/dbraw/zinc/87/73/70/464877370.db2.gz KXFDNWUIZXHODW-UHFFFAOYSA-N 1 2 342.359 2.175 10 5 EEBELO COc1ccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000353309760 465786810 /nfs/dbraw/zinc/78/68/10/465786810.db2.gz AAVZMTHHKYSDPM-VIFPVBQESA-N 1 2 331.332 2.006 10 5 EEBELO COc1ccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000353309760 465786819 /nfs/dbraw/zinc/78/68/19/465786819.db2.gz AAVZMTHHKYSDPM-VIFPVBQESA-N 1 2 331.332 2.006 10 5 EEBELO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000346160607 465947819 /nfs/dbraw/zinc/94/78/19/465947819.db2.gz XEOHKFSFYWWYPF-CHWSQXEVSA-N 1 2 335.404 2.398 10 5 EEBELO CC(C)c1ccc(C[NH+]2CCN(c3nccnn3)CC2)cc1[N+](=O)[O-] ZINC000600185237 468487963 /nfs/dbraw/zinc/48/79/63/468487963.db2.gz SFKHCZGMCYQTBE-UHFFFAOYSA-N 1 2 342.403 2.225 10 5 EEBELO CSc1cccc(C(=O)N2CCn3cc(C)[nH+]c3C2)c1[N+](=O)[O-] ZINC000364515801 466703841 /nfs/dbraw/zinc/70/38/41/466703841.db2.gz FURQOZITPYQIFF-UHFFFAOYSA-N 1 2 332.385 2.478 10 5 EEBELO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000408042500 467499081 /nfs/dbraw/zinc/49/90/81/467499081.db2.gz RJBGCVBDAQGUGC-STQMWFEESA-N 1 2 341.433 2.006 10 5 EEBELO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000408042500 467499084 /nfs/dbraw/zinc/49/90/84/467499084.db2.gz RJBGCVBDAQGUGC-STQMWFEESA-N 1 2 341.433 2.006 10 5 EEBELO COc1cc(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1OC ZINC000591953711 468581924 /nfs/dbraw/zinc/58/19/24/468581924.db2.gz OXQGMIWHWVTRNL-SNVBAGLBSA-N 1 2 328.390 2.035 10 5 EEBELO COc1cc(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1OC ZINC000591953711 468581928 /nfs/dbraw/zinc/58/19/28/468581928.db2.gz OXQGMIWHWVTRNL-SNVBAGLBSA-N 1 2 328.390 2.035 10 5 EEBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](OC(F)F)C3)n2)c1 ZINC000558863965 468718397 /nfs/dbraw/zinc/71/83/97/468718397.db2.gz KBCSEKKDWLEDML-NSHDSACASA-N 1 2 340.286 2.458 10 5 EEBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H](OC(F)F)C3)n2)c1 ZINC000558863965 468718403 /nfs/dbraw/zinc/71/84/03/468718403.db2.gz KBCSEKKDWLEDML-NSHDSACASA-N 1 2 340.286 2.458 10 5 EEBELO Cc1noc(C)c1C[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601104442 468742209 /nfs/dbraw/zinc/74/22/09/468742209.db2.gz XNHLNBFYBHKJDI-UHFFFAOYSA-N 1 2 335.339 2.056 10 5 EEBELO Cc1noc(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)c1[N+](=O)[O-] ZINC000595420167 468846332 /nfs/dbraw/zinc/84/63/32/468846332.db2.gz OUXUWRCOZJWGJQ-JTQLQIEISA-N 1 2 328.332 2.323 10 5 EEBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598942473 469059732 /nfs/dbraw/zinc/05/97/32/469059732.db2.gz BKQKFENTQSDSKY-SNVBAGLBSA-N 1 2 332.385 2.258 10 5 EEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975209 469122307 /nfs/dbraw/zinc/12/23/07/469122307.db2.gz MLEXCLVGVCYGOS-GWCFXTLKSA-N 1 2 343.330 2.278 10 5 EEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975209 469122310 /nfs/dbraw/zinc/12/23/10/469122310.db2.gz MLEXCLVGVCYGOS-GWCFXTLKSA-N 1 2 343.330 2.278 10 5 EEBELO CCC1(CC)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000769228616 577572926 /nfs/dbraw/zinc/57/29/26/577572926.db2.gz CWZCAMPKBFFSLE-NPMXOYFQSA-N 1 2 340.445 2.251 10 5 EEBELO CCC1(CC)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000769228616 577572927 /nfs/dbraw/zinc/57/29/27/577572927.db2.gz CWZCAMPKBFFSLE-NPMXOYFQSA-N 1 2 340.445 2.251 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800200043 1202219599 /nfs/dbraw/zinc/21/95/99/1202219599.db2.gz ZZYNMKNAULURHV-FZDNWWAKSA-N 1 2 334.372 2.262 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800200043 1202219600 /nfs/dbraw/zinc/21/96/00/1202219600.db2.gz ZZYNMKNAULURHV-FZDNWWAKSA-N 1 2 334.372 2.262 10 5 EEBELO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1OC ZINC000857991907 1293982486 /nfs/dbraw/zinc/98/24/86/1293982486.db2.gz PYXGQWRCUUCSQF-LLVKDONJSA-N 1 2 346.343 2.073 10 5 EEBELO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001329689100 1334697245 /nfs/dbraw/zinc/69/72/45/1334697245.db2.gz FWGPTJHRAJKNPR-SFYZADRCSA-N 1 2 337.273 2.452 10 5 EEBELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1[N+](=O)[O-] ZINC001653906181 1354135954 /nfs/dbraw/zinc/13/59/54/1354135954.db2.gz CCHQEUXVJXKMOF-LLVKDONJSA-N 1 2 344.371 2.322 10 5 EEBELO COc1ccc(C[N@@H+]2CCN(c3cnccn3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001660704468 1354521280 /nfs/dbraw/zinc/52/12/80/1354521280.db2.gz AIXJLUKYHFVMKB-ZDUSSCGKSA-N 1 2 343.387 2.104 10 5 EEBELO COc1ccc(C[N@H+]2CCN(c3cnccn3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001660704468 1354521281 /nfs/dbraw/zinc/52/12/81/1354521281.db2.gz AIXJLUKYHFVMKB-ZDUSSCGKSA-N 1 2 343.387 2.104 10 5 EEBELO CCOCC(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001699764514 1405474443 /nfs/dbraw/zinc/47/44/43/1405474443.db2.gz CAYKUCMZTUMIMZ-UHFFFAOYSA-N 1 2 341.433 2.164 10 5 EEBELO Cc1c(CC(=O)NCc2[nH]c3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC001178922789 799703050 /nfs/dbraw/zinc/70/30/50/799703050.db2.gz YTQSJIDYZJOPSD-UHFFFAOYSA-N 1 2 328.372 2.364 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC001170548563 812583679 /nfs/dbraw/zinc/58/36/79/812583679.db2.gz HGLCNCVSEIMZMX-OAHLLOKOSA-N 1 2 348.330 2.344 10 5 EEBELO Nc1[nH+]ccc2c1CN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)CC2 ZINC001470912293 1110514304 /nfs/dbraw/zinc/51/43/04/1110514304.db2.gz OUGBVKNTFZJRAL-UHFFFAOYSA-N 1 2 347.762 2.006 10 5 EEBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000371385409 284238061 /nfs/dbraw/zinc/23/80/61/284238061.db2.gz QUQFBGUAFLOXQE-JTQLQIEISA-N 1 2 337.339 2.153 10 5 EEBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000371385409 284238063 /nfs/dbraw/zinc/23/80/63/284238063.db2.gz QUQFBGUAFLOXQE-JTQLQIEISA-N 1 2 337.339 2.153 10 5 EEBELO Cc1nc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc(N(C)C)[nH+]1 ZINC000343653040 161155090 /nfs/dbraw/zinc/15/50/90/161155090.db2.gz MPZARBKBORMNOL-UHFFFAOYSA-N 1 2 328.376 2.323 10 5 EEBELO Cc1nc(N(C)C)nc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH+]1 ZINC000343653040 161155091 /nfs/dbraw/zinc/15/50/91/161155091.db2.gz MPZARBKBORMNOL-UHFFFAOYSA-N 1 2 328.376 2.323 10 5 EEBELO Cc1nc2[nH]ccc2c(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)[nH+]1 ZINC000345039289 161265984 /nfs/dbraw/zinc/26/59/84/161265984.db2.gz SUUJMRSCMZZVFH-UHFFFAOYSA-N 1 2 325.328 2.442 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000355076580 163073260 /nfs/dbraw/zinc/07/32/60/163073260.db2.gz CXBLIJZLVYMCFZ-AWEZNQCLSA-N 1 2 326.418 2.293 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H]1CCO ZINC000355076580 163073262 /nfs/dbraw/zinc/07/32/62/163073262.db2.gz CXBLIJZLVYMCFZ-AWEZNQCLSA-N 1 2 326.418 2.293 10 5 EEBELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000360706758 164367209 /nfs/dbraw/zinc/36/72/09/164367209.db2.gz CTFDBSPGDDVUHC-VXGBXAGGSA-N 1 2 340.351 2.276 10 5 EEBELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000360706758 164367210 /nfs/dbraw/zinc/36/72/10/164367210.db2.gz CTFDBSPGDDVUHC-VXGBXAGGSA-N 1 2 340.351 2.276 10 5 EEBELO CC(C)(NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000490986231 277308115 /nfs/dbraw/zinc/30/81/15/277308115.db2.gz HDAIHGMIORLJOQ-LLVKDONJSA-N 1 2 343.387 2.410 10 5 EEBELO CC(C)(NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000490986231 277308117 /nfs/dbraw/zinc/30/81/17/277308117.db2.gz HDAIHGMIORLJOQ-LLVKDONJSA-N 1 2 343.387 2.410 10 5 EEBELO O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000153747890 304799835 /nfs/dbraw/zinc/79/98/35/304799835.db2.gz MJPRDHZMLRNGPH-ZDUSSCGKSA-N 1 2 340.811 2.334 10 5 EEBELO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCOC[C@@H]1C ZINC000095979955 463124344 /nfs/dbraw/zinc/12/43/44/463124344.db2.gz BSIZUZYDXUWOHM-QWRGUYRKSA-N 1 2 341.795 2.087 10 5 EEBELO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCOC[C@@H]1C ZINC000095979955 463124348 /nfs/dbraw/zinc/12/43/48/463124348.db2.gz BSIZUZYDXUWOHM-QWRGUYRKSA-N 1 2 341.795 2.087 10 5 EEBELO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030217871 463289926 /nfs/dbraw/zinc/28/99/26/463289926.db2.gz ARIWXYKUGPUPPO-UHFFFAOYSA-N 1 2 339.355 2.108 10 5 EEBELO CCOc1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000285210560 464487459 /nfs/dbraw/zinc/48/74/59/464487459.db2.gz DPKFVZFJLKRSGY-QGZVFWFLSA-N 1 2 336.388 2.375 10 5 EEBELO CCOc1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000285210560 464487466 /nfs/dbraw/zinc/48/74/66/464487466.db2.gz DPKFVZFJLKRSGY-QGZVFWFLSA-N 1 2 336.388 2.375 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356436812 465379146 /nfs/dbraw/zinc/37/91/46/465379146.db2.gz TWPGOEPTDJIMRY-UHFFFAOYSA-N 1 2 331.376 2.091 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356436812 465379149 /nfs/dbraw/zinc/37/91/49/465379149.db2.gz TWPGOEPTDJIMRY-UHFFFAOYSA-N 1 2 331.376 2.091 10 5 EEBELO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000340296200 465963272 /nfs/dbraw/zinc/96/32/72/465963272.db2.gz RVQKSHPSJIAIAR-UHFFFAOYSA-N 1 2 343.387 2.450 10 5 EEBELO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000340296200 465963283 /nfs/dbraw/zinc/96/32/83/465963283.db2.gz RVQKSHPSJIAIAR-UHFFFAOYSA-N 1 2 343.387 2.450 10 5 EEBELO Cc1ccc(CCNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c[nH+]1 ZINC000301712847 466016698 /nfs/dbraw/zinc/01/66/98/466016698.db2.gz YOGXBXDCFAFAQD-UHFFFAOYSA-N 1 2 328.328 2.284 10 5 EEBELO Cc1cccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594107098 468485685 /nfs/dbraw/zinc/48/56/85/468485685.db2.gz FPDJTFJYXOGJNG-MCIONIFRSA-N 1 2 335.404 2.131 10 5 EEBELO Cc1cccc(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594107098 468485690 /nfs/dbraw/zinc/48/56/90/468485690.db2.gz FPDJTFJYXOGJNG-MCIONIFRSA-N 1 2 335.404 2.131 10 5 EEBELO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000358186698 466524226 /nfs/dbraw/zinc/52/42/26/466524226.db2.gz JIVMOUDIKLWSHZ-UHFFFAOYSA-N 1 2 338.270 2.049 10 5 EEBELO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374823560 466753527 /nfs/dbraw/zinc/75/35/27/466753527.db2.gz LBMAVQAGYWSLKM-UHFFFAOYSA-N 1 2 333.323 2.059 10 5 EEBELO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374823560 466753533 /nfs/dbraw/zinc/75/35/33/466753533.db2.gz LBMAVQAGYWSLKM-UHFFFAOYSA-N 1 2 333.323 2.059 10 5 EEBELO CCn1cc[nH+]c1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000455289932 467659365 /nfs/dbraw/zinc/65/93/65/467659365.db2.gz FBMDGLQBEGAXRD-UHFFFAOYSA-N 1 2 329.360 2.079 10 5 EEBELO C[NH+](C)C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488908827 468111429 /nfs/dbraw/zinc/11/14/29/468111429.db2.gz LDWLYCSLDMWIST-CQSZACIVSA-N 1 2 347.346 2.472 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000593025786 468844347 /nfs/dbraw/zinc/84/43/47/468844347.db2.gz RSKLDKNUTJJVBE-ZDUSSCGKSA-N 1 2 334.328 2.188 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC2(COC2)C1 ZINC000595833479 469032089 /nfs/dbraw/zinc/03/20/89/469032089.db2.gz KMUCXLBZYRTGQL-SNVBAGLBSA-N 1 2 339.779 2.298 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC2(COC2)C1 ZINC000595833479 469032093 /nfs/dbraw/zinc/03/20/93/469032093.db2.gz KMUCXLBZYRTGQL-SNVBAGLBSA-N 1 2 339.779 2.298 10 5 EEBELO CCC(C)(C)OC1C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000601958790 469112996 /nfs/dbraw/zinc/11/29/96/469112996.db2.gz KBTVYWCBIWHDTF-CYBMUJFWSA-N 1 2 338.404 2.224 10 5 EEBELO COC(=O)Cc1cc[nH+]c(NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000596084040 469146625 /nfs/dbraw/zinc/14/66/25/469146625.db2.gz GHDPQVPVGICJPS-UHFFFAOYSA-N 1 2 331.328 2.326 10 5 EEBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(CC(F)C2)C1 ZINC000611077269 469153745 /nfs/dbraw/zinc/15/37/45/469153745.db2.gz IFHLDWPIBJKKQH-UHFFFAOYSA-N 1 2 330.319 2.355 10 5 EEBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCC2(CC2)C1 ZINC000611814994 469328379 /nfs/dbraw/zinc/32/83/79/469328379.db2.gz SVXXAOYUZPURTJ-UHFFFAOYSA-N 1 2 342.355 2.033 10 5 EEBELO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](OC(F)F)C1)OCCO2 ZINC000619846549 469689688 /nfs/dbraw/zinc/68/96/88/469689688.db2.gz GLWGFTBRLLFULS-JTQLQIEISA-N 1 2 330.287 2.180 10 5 EEBELO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H](OC(F)F)C1)OCCO2 ZINC000619846549 469689690 /nfs/dbraw/zinc/68/96/90/469689690.db2.gz GLWGFTBRLLFULS-JTQLQIEISA-N 1 2 330.287 2.180 10 5 EEBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000776278742 577456590 /nfs/dbraw/zinc/45/65/90/577456590.db2.gz UJFRRQZBOUNRGH-MSOLQXFVSA-N 1 2 344.367 2.407 10 5 EEBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000776278742 577456591 /nfs/dbraw/zinc/45/65/91/577456591.db2.gz UJFRRQZBOUNRGH-MSOLQXFVSA-N 1 2 344.367 2.407 10 5 EEBELO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000923892212 693202665 /nfs/dbraw/zinc/20/26/65/693202665.db2.gz VRVOYUYERJXGNF-AWEZNQCLSA-N 1 2 338.335 2.333 10 5 EEBELO CC(C)[N@H+]1CCC[C@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000923892212 693202670 /nfs/dbraw/zinc/20/26/70/693202670.db2.gz VRVOYUYERJXGNF-AWEZNQCLSA-N 1 2 338.335 2.333 10 5 EEBELO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898492578 693338227 /nfs/dbraw/zinc/33/82/27/693338227.db2.gz WHKLWXNPWYOUJR-AWEZNQCLSA-N 1 2 348.378 2.100 10 5 EEBELO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898492578 693338231 /nfs/dbraw/zinc/33/82/31/693338231.db2.gz WHKLWXNPWYOUJR-AWEZNQCLSA-N 1 2 348.378 2.100 10 5 EEBELO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)cc1Cl 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EEBELO O=C(N[C@@H]1CO[C@H](C2CC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600520102 468579961 /nfs/dbraw/zinc/57/99/61/468579961.db2.gz MXIXXCXJDRJOHS-BBRMVZONSA-N 1 2 342.355 2.078 10 5 EEBELO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598217775 468796218 /nfs/dbraw/zinc/79/62/18/468796218.db2.gz BIFCGOZRISNPPX-LBPRGKRZSA-N 1 2 333.388 2.437 10 5 EEBELO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598217775 468796221 /nfs/dbraw/zinc/79/62/21/468796221.db2.gz BIFCGOZRISNPPX-LBPRGKRZSA-N 1 2 333.388 2.437 10 5 EEBELO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598642237 468942779 /nfs/dbraw/zinc/94/27/79/468942779.db2.gz DTSHPKXCXJCERJ-HNNXBMFYSA-N 1 2 332.381 2.354 10 5 EEBELO Cn1cc[nH+]c1[C@@H](Cc1ccccc1)Nc1c([N+](=O)[O-])ncn1C ZINC000593502336 469007429 /nfs/dbraw/zinc/00/74/29/469007429.db2.gz OMBXRPSNXSURAY-CYBMUJFWSA-N 1 2 326.360 2.458 10 5 EEBELO CN1c2ccccc2C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000598949237 469062199 /nfs/dbraw/zinc/06/21/99/469062199.db2.gz WZXPTFGSDHVPKB-UHFFFAOYSA-N 1 2 341.367 2.452 10 5 EEBELO CN1c2ccccc2C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1=O ZINC000598949237 469062203 /nfs/dbraw/zinc/06/22/03/469062203.db2.gz WZXPTFGSDHVPKB-UHFFFAOYSA-N 1 2 341.367 2.452 10 5 EEBELO CN1C(=O)NCC12CCN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CC2 ZINC000599093889 469117502 /nfs/dbraw/zinc/11/75/02/469117502.db2.gz XWRCUFZTZDBRLH-UHFFFAOYSA-N 1 2 341.371 2.137 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000611846848 469333877 /nfs/dbraw/zinc/33/38/77/469333877.db2.gz GFMLYGZBNQJDDB-UHFFFAOYSA-N 1 2 328.372 2.420 10 5 EEBELO CCn1ccnc1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000604557794 469492791 /nfs/dbraw/zinc/49/27/91/469492791.db2.gz ZJAKFJNINHEBGG-UHFFFAOYSA-N 1 2 329.404 2.129 10 5 EEBELO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000447935750 536352044 /nfs/dbraw/zinc/35/20/44/536352044.db2.gz JKZYUFRUOVCHSP-SNVBAGLBSA-N 1 2 347.462 2.055 10 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ZINC000872049449 1198035274 /nfs/dbraw/zinc/03/52/74/1198035274.db2.gz SUXGRGSSIPGLPJ-JTQLQIEISA-N 1 2 330.381 2.209 10 5 EEBELO Cc1[nH]c(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)[nH+]c1C ZINC001137260169 1204764796 /nfs/dbraw/zinc/76/47/96/1204764796.db2.gz CBGSMSBOJGTGKC-UHFFFAOYSA-N 1 2 346.343 2.026 10 5 EEBELO O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869893 1291900135 /nfs/dbraw/zinc/90/01/35/1291900135.db2.gz UQZVALITGBRHAA-XGWLTEMNSA-N 1 2 329.400 2.400 10 5 EEBELO O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869893 1291900139 /nfs/dbraw/zinc/90/01/39/1291900139.db2.gz UQZVALITGBRHAA-XGWLTEMNSA-N 1 2 329.400 2.400 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000853799316 1292458642 /nfs/dbraw/zinc/45/86/42/1292458642.db2.gz LHZVRCNBPJICGR-MNOVXSKESA-N 1 2 327.356 2.264 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000853799316 1292458647 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CNC(=O)Cc1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000181813894 323357082 /nfs/dbraw/zinc/35/70/82/323357082.db2.gz BUOGSNHRQMVUOC-NSHDSACASA-N 1 2 348.428 2.499 10 5 EEBELO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000133998499 462993614 /nfs/dbraw/zinc/99/36/14/462993614.db2.gz IBGUOONDBONNLE-JTQLQIEISA-N 1 2 340.343 2.303 10 5 EEBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000137027392 463274169 /nfs/dbraw/zinc/27/41/69/463274169.db2.gz LRXHCOPUPJIZLQ-KGLIPLIRSA-N 1 2 335.385 2.158 10 5 EEBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000137027392 463274172 /nfs/dbraw/zinc/27/41/72/463274172.db2.gz LRXHCOPUPJIZLQ-KGLIPLIRSA-N 1 2 335.385 2.158 10 5 EEBELO C[N@@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000194750855 463921757 /nfs/dbraw/zinc/92/17/57/463921757.db2.gz IFNJMUDAZWKYHA-OAHLLOKOSA-N 1 2 335.407 2.448 10 5 EEBELO C[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000194750855 463921760 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C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1CCO ZINC000190247191 464612479 /nfs/dbraw/zinc/61/24/79/464612479.db2.gz SJOKQCLATIBTFK-CQSZACIVSA-N 1 2 345.399 2.353 10 5 EEBELO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](CCCF)CC1 ZINC000600072708 468448849 /nfs/dbraw/zinc/44/88/49/468448849.db2.gz ZYQWCLPRSQZTNL-UHFFFAOYSA-N 1 2 335.335 2.458 10 5 EEBELO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000338966563 466530198 /nfs/dbraw/zinc/53/01/98/466530198.db2.gz WNJWXXYGKPQESM-OKILXGFUSA-N 1 2 330.340 2.454 10 5 EEBELO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)o1 ZINC000338966563 466530201 /nfs/dbraw/zinc/53/02/01/466530201.db2.gz WNJWXXYGKPQESM-OKILXGFUSA-N 1 2 330.340 2.454 10 5 EEBELO O=C(N[C@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412946504 467148572 /nfs/dbraw/zinc/14/85/72/467148572.db2.gz WBRGBVIYQYUTNZ-JSGCOSHPSA-N 1 2 344.371 2.061 10 5 EEBELO CC1(C)OC[C@H]2C[C@]21NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 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COC(=O)[C@H]1CSCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000412092315 467004790 /nfs/dbraw/zinc/00/47/90/467004790.db2.gz ZGJSQUYRKJYUJK-SECBINFHSA-N 1 2 346.355 2.211 10 5 EEBELO COC(=O)[C@H]1CSCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000412092315 467004793 /nfs/dbraw/zinc/00/47/93/467004793.db2.gz ZGJSQUYRKJYUJK-SECBINFHSA-N 1 2 346.355 2.211 10 5 EEBELO CNc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000530719363 468004539 /nfs/dbraw/zinc/00/45/39/468004539.db2.gz HDVZPSMKALUNLN-UHFFFAOYSA-N 1 2 329.360 2.379 10 5 EEBELO CNc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000530719363 468004540 /nfs/dbraw/zinc/00/45/40/468004540.db2.gz HDVZPSMKALUNLN-UHFFFAOYSA-N 1 2 329.360 2.379 10 5 EEBELO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496838 468157084 /nfs/dbraw/zinc/15/70/84/468157084.db2.gz PSERXERQCJYSHZ-UHFFFAOYSA-N 1 2 332.360 2.137 10 5 EEBELO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496838 468157088 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O=C(C[N@@H+]1CCC[C@@H](OC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611578670 469285046 /nfs/dbraw/zinc/28/50/46/469285046.db2.gz QYXUVGZCIHHOSV-SNVBAGLBSA-N 1 2 329.303 2.237 10 5 EEBELO O=C(C[N@H+]1CCC[C@@H](OC(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611578670 469285050 /nfs/dbraw/zinc/28/50/50/469285050.db2.gz QYXUVGZCIHHOSV-SNVBAGLBSA-N 1 2 329.303 2.237 10 5 EEBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000898485918 693332438 /nfs/dbraw/zinc/33/24/38/693332438.db2.gz OIRAOPGOTJIHHA-LLVKDONJSA-N 1 2 329.759 2.412 10 5 EEBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000898485918 693332441 /nfs/dbraw/zinc/33/24/41/693332441.db2.gz OIRAOPGOTJIHHA-LLVKDONJSA-N 1 2 329.759 2.412 10 5 EEBELO Cc1ncc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001625790339 1176094332 /nfs/dbraw/zinc/09/43/32/1176094332.db2.gz DIYOFUGSIOWSQC-UHFFFAOYSA-N 1 2 343.368 2.475 10 5 EEBELO CC[N@H+](CCNC(=O)Cc1ccco1)Cc1csc([N+](=O)[O-])c1 ZINC001267253855 1178621870 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345.355 2.367 10 5 EEBELO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000932062646 1207528725 /nfs/dbraw/zinc/52/87/25/1207528725.db2.gz MXWXBSHYCLWGDJ-BFQNTYOBSA-N 1 2 345.355 2.367 10 5 EEBELO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCn2c[nH+]cc21 ZINC000857985616 1293979737 /nfs/dbraw/zinc/97/97/37/1293979737.db2.gz PWCNDABJMDVVHE-CYBMUJFWSA-N 1 2 325.328 2.007 10 5 EEBELO COc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1F ZINC001156897818 1318271543 /nfs/dbraw/zinc/27/15/43/1318271543.db2.gz VQLVQEGYVBDMER-UHFFFAOYSA-N 1 2 348.334 2.274 10 5 EEBELO COCCC(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001324293101 1333651219 /nfs/dbraw/zinc/65/12/19/1333651219.db2.gz XGSKRRTUZFOBOX-UHFFFAOYSA-N 1 2 341.433 2.164 10 5 EEBELO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC001557758445 1342455156 /nfs/dbraw/zinc/45/51/56/1342455156.db2.gz VIJGYBSFFAYHFH-UHFFFAOYSA-N 1 2 326.312 2.481 10 5 EEBELO Cn1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001625055670 1352439049 /nfs/dbraw/zinc/43/90/49/1352439049.db2.gz CEPYSVRHRKFPBO-UHFFFAOYSA-N 1 2 346.734 2.420 10 5 EEBELO Nc1c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC001652101482 1354077686 /nfs/dbraw/zinc/07/76/86/1354077686.db2.gz ZAJVSQRBFJPQBC-UHFFFAOYSA-N 1 2 341.371 2.289 10 5 EEBELO CC(C)(CNC(=O)CCOc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000912617445 788257648 /nfs/dbraw/zinc/25/76/48/788257648.db2.gz TXXUTIPTQUTWAF-UHFFFAOYSA-N 1 2 332.360 2.112 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473833176 1110581935 /nfs/dbraw/zinc/58/19/35/1110581935.db2.gz IXUISOQEFKLCIY-CYBMUJFWSA-N 1 2 341.371 2.121 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001473833176 1110581936 /nfs/dbraw/zinc/58/19/36/1110581936.db2.gz IXUISOQEFKLCIY-CYBMUJFWSA-N 1 2 341.371 2.121 10 5 EEBELO COc1cnc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001473863803 1110582759 /nfs/dbraw/zinc/58/27/59/1110582759.db2.gz FLDBBPGGYRDMJF-CQSZACIVSA-N 1 2 344.371 2.479 10 5 EEBELO COc1cnc([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001473863803 1110582761 /nfs/dbraw/zinc/58/27/61/1110582761.db2.gz FLDBBPGGYRDMJF-CQSZACIVSA-N 1 2 344.371 2.479 10 5 EEBELO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001568439991 1124509321 /nfs/dbraw/zinc/50/93/21/1124509321.db2.gz JTKDFCNRMIWALZ-MRXNPFEDSA-N 1 2 343.387 2.057 10 5 EEBELO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001568439991 1124509328 /nfs/dbraw/zinc/50/93/28/1124509328.db2.gz JTKDFCNRMIWALZ-MRXNPFEDSA-N 1 2 343.387 2.057 10 5 EEBELO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CCOC1 ZINC000451914231 243314867 /nfs/dbraw/zinc/31/48/67/243314867.db2.gz RTHDQXHPFKFTNF-ZDUSSCGKSA-N 1 2 330.344 2.032 10 5 EEBELO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c([N+](=O)[O-])cc1O ZINC000459704032 245216623 /nfs/dbraw/zinc/21/66/23/245216623.db2.gz 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COC(=O)c1cccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000352997501 162381916 /nfs/dbraw/zinc/38/19/16/162381916.db2.gz MTYCBHCMQYFNCR-UHFFFAOYSA-N 1 2 327.340 2.335 10 5 EEBELO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270285883 268816483 /nfs/dbraw/zinc/81/64/83/268816483.db2.gz KIBTUEWMDKIWAB-UHFFFAOYSA-N 1 2 343.387 2.450 10 5 EEBELO COC(=O)c1cc(N2CCn3cc(C)[nH+]c3C2)cc(C)c1[N+](=O)[O-] ZINC000359990331 277423566 /nfs/dbraw/zinc/42/35/66/277423566.db2.gz AYFMPZWJEMRLHQ-UHFFFAOYSA-N 1 2 330.344 2.215 10 5 EEBELO Cc1c[nH+]cn1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000373743614 292984884 /nfs/dbraw/zinc/98/48/84/292984884.db2.gz AEQLNZNPEAQSFO-UHFFFAOYSA-N 1 2 330.344 2.283 10 5 EEBELO Cc1nn(C)c(NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000301278920 294841525 /nfs/dbraw/zinc/84/15/25/294841525.db2.gz LSCBTPXPXJQDBW-UHFFFAOYSA-N 1 2 326.360 2.494 10 5 EEBELO CC[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000421678242 314140030 /nfs/dbraw/zinc/14/00/30/314140030.db2.gz ZFVXXVZNQGDZBV-UONOGXRCSA-N 1 2 344.371 2.468 10 5 EEBELO COc1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000439450918 315078743 /nfs/dbraw/zinc/07/87/43/315078743.db2.gz LAXZORCEHQXYBQ-ZFWWWQNUSA-N 1 2 334.372 2.173 10 5 EEBELO COc1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000439450918 315078745 /nfs/dbraw/zinc/07/87/45/315078745.db2.gz LAXZORCEHQXYBQ-ZFWWWQNUSA-N 1 2 334.372 2.173 10 5 EEBELO COc1ccc(F)c(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000296034998 465057367 /nfs/dbraw/zinc/05/73/67/465057367.db2.gz ONECKQPTNPOYMO-UHFFFAOYSA-N 1 2 346.362 2.460 10 5 EEBELO CC[N@H+](CCCNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000347895946 465292158 /nfs/dbraw/zinc/29/21/58/465292158.db2.gz GRFJZFGTNIQUHS-UHFFFAOYSA-N 1 2 340.387 2.966 10 5 EEBELO CC[N@@H+](CCCNc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000347895946 465292161 /nfs/dbraw/zinc/29/21/61/465292161.db2.gz GRFJZFGTNIQUHS-UHFFFAOYSA-N 1 2 340.387 2.966 10 5 EEBELO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)nc(-c2ccncc2)[nH+]1 ZINC000152544682 462545454 /nfs/dbraw/zinc/54/54/54/462545454.db2.gz XOZSLRXSTKWXQT-UHFFFAOYSA-N 1 2 325.332 2.064 10 5 EEBELO Cc1c(CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000128483903 462644219 /nfs/dbraw/zinc/64/42/19/462644219.db2.gz GFGIGDHVXFJJQY-OAHLLOKOSA-N 1 2 328.372 2.333 10 5 EEBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000137027428 463273751 /nfs/dbraw/zinc/27/37/51/463273751.db2.gz LRXHCOPUPJIZLQ-KBPBESRZSA-N 1 2 335.385 2.158 10 5 EEBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000137027428 463273755 /nfs/dbraw/zinc/27/37/55/463273755.db2.gz LRXHCOPUPJIZLQ-KBPBESRZSA-N 1 2 335.385 2.158 10 5 EEBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3noc4c3CCCC4)CC2)nc1 ZINC000069848367 463339180 /nfs/dbraw/zinc/33/91/80/463339180.db2.gz SRKNLGJKMYAEBL-UHFFFAOYSA-N 1 2 343.387 2.179 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CC2 ZINC000591075103 468403443 /nfs/dbraw/zinc/40/34/43/468403443.db2.gz CDUILXMRARJCQT-LSDHHAIUSA-N 1 2 326.356 2.246 10 5 EEBELO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C(C)C ZINC000353032447 465589226 /nfs/dbraw/zinc/58/92/26/465589226.db2.gz IIXIKIMZLQEOIM-CYBMUJFWSA-N 1 2 334.420 2.382 10 5 EEBELO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C(C)C ZINC000353032447 465589233 /nfs/dbraw/zinc/58/92/33/465589233.db2.gz IIXIKIMZLQEOIM-CYBMUJFWSA-N 1 2 334.420 2.382 10 5 EEBELO C[NH+](C)[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000357341136 465963167 /nfs/dbraw/zinc/96/31/67/465963167.db2.gz CKKMSPRJIWAFGI-AWEZNQCLSA-N 1 2 347.346 2.472 10 5 EEBELO C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000357821974 466241109 /nfs/dbraw/zinc/24/11/09/466241109.db2.gz XLQLKXZRPBAQGQ-JQWIXIFHSA-N 1 2 329.360 2.236 10 5 EEBELO C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000357821974 466241111 /nfs/dbraw/zinc/24/11/11/466241111.db2.gz XLQLKXZRPBAQGQ-JQWIXIFHSA-N 1 2 329.360 2.236 10 5 EEBELO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000363512586 466450588 /nfs/dbraw/zinc/45/05/88/466450588.db2.gz XEORKHBVKUQQIJ-UHFFFAOYSA-N 1 2 348.790 2.383 10 5 EEBELO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000363512586 466450594 /nfs/dbraw/zinc/45/05/94/466450594.db2.gz XEORKHBVKUQQIJ-UHFFFAOYSA-N 1 2 348.790 2.383 10 5 EEBELO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000363879650 466644391 /nfs/dbraw/zinc/64/43/91/466644391.db2.gz CGHSPBOWJJOYPU-HOTGVXAUSA-N 1 2 339.355 2.126 10 5 EEBELO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000401213020 467459277 /nfs/dbraw/zinc/45/92/77/467459277.db2.gz RFMGOXBALAQDLL-HNNXBMFYSA-N 1 2 346.362 2.442 10 5 EEBELO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000401213020 467459282 /nfs/dbraw/zinc/45/92/82/467459282.db2.gz RFMGOXBALAQDLL-HNNXBMFYSA-N 1 2 346.362 2.442 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@@H](C2CC2)C1 ZINC000450757340 467903538 /nfs/dbraw/zinc/90/35/38/467903538.db2.gz MPSLGRQMKZKIRH-MRXNPFEDSA-N 1 2 342.355 2.032 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000589514334 468158285 /nfs/dbraw/zinc/15/82/85/468158285.db2.gz XISBFTHHPYBWFH-ZBEGNZNMSA-N 1 2 334.372 2.381 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000589514334 468158290 /nfs/dbraw/zinc/15/82/90/468158290.db2.gz XISBFTHHPYBWFH-ZBEGNZNMSA-N 1 2 334.372 2.381 10 5 EEBELO O=C(NCCCn1cc[nH+]c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600891075 468677317 /nfs/dbraw/zinc/67/73/17/468677317.db2.gz UJAMNKJHOOXNJE-UHFFFAOYSA-N 1 2 328.372 2.420 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597844719 468690662 /nfs/dbraw/zinc/69/06/62/468690662.db2.gz BDWUJAQFCKBIAG-CQSZACIVSA-N 1 2 346.387 2.126 10 5 EEBELO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000598220001 468797237 /nfs/dbraw/zinc/79/72/37/468797237.db2.gz NFBADFKWQGCUNA-GFCCVEGCSA-N 1 2 333.388 2.437 10 5 EEBELO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000598220001 468797242 /nfs/dbraw/zinc/79/72/42/468797242.db2.gz NFBADFKWQGCUNA-GFCCVEGCSA-N 1 2 333.388 2.437 10 5 EEBELO Cc1noc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c1[N+](=O)[O-] ZINC000595410288 468842811 /nfs/dbraw/zinc/84/28/11/468842811.db2.gz SDBSYUGZCXPTKR-SNVBAGLBSA-N 1 2 328.332 2.323 10 5 EEBELO COc1cc(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000595528430 468888695 /nfs/dbraw/zinc/88/86/95/468888695.db2.gz SKVAHAPEABWMMB-UHFFFAOYSA-N 1 2 332.360 2.432 10 5 EEBELO CCC(C)(C)OC1C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000601958791 469112243 /nfs/dbraw/zinc/11/22/43/469112243.db2.gz KBTVYWCBIWHDTF-ZDUSSCGKSA-N 1 2 338.404 2.224 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)CC2 ZINC000611894859 469341909 /nfs/dbraw/zinc/34/19/09/469341909.db2.gz RDBQGFAFBVJIJS-UHFFFAOYSA-N 1 2 325.328 2.237 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000612576482 469500351 /nfs/dbraw/zinc/50/03/51/469500351.db2.gz JLBSIKVIGMYPLV-UHFFFAOYSA-N 1 2 332.404 2.237 10 5 EEBELO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000344693649 576355634 /nfs/dbraw/zinc/35/56/34/576355634.db2.gz BGYFCCAERUZPHF-LBPRGKRZSA-N 1 2 333.388 2.247 10 5 EEBELO C[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000344693649 576355637 /nfs/dbraw/zinc/35/56/37/576355637.db2.gz BGYFCCAERUZPHF-LBPRGKRZSA-N 1 2 333.388 2.247 10 5 EEBELO COC(=O)CC[N@@H+](Cc1ccccc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000729464897 576655580 /nfs/dbraw/zinc/65/55/80/576655580.db2.gz UJYXIWLNQNCVKU-UHFFFAOYSA-N 1 2 346.387 2.431 10 5 EEBELO COC(=O)CC[N@H+](Cc1ccccc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000729464897 576655582 /nfs/dbraw/zinc/65/55/82/576655582.db2.gz UJYXIWLNQNCVKU-UHFFFAOYSA-N 1 2 346.387 2.431 10 5 EEBELO Nc1ccc(CCC(=O)OCCOc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000751456129 577753141 /nfs/dbraw/zinc/75/31/41/577753141.db2.gz NOTAAUDMSGDYHJ-UHFFFAOYSA-N 1 2 331.328 2.127 10 5 EEBELO CC(C)(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000753747704 577792754 /nfs/dbraw/zinc/79/27/54/577792754.db2.gz LMAOEPIQIZVLSH-UHFFFAOYSA-N 1 2 347.415 2.358 10 5 EEBELO CCC[N@H+](CCNC(=O)c1cncnc1)Cc1csc([N+](=O)[O-])c1 ZINC001266558104 1176840802 /nfs/dbraw/zinc/84/08/02/1176840802.db2.gz GOKLEBHRVRLAIA-UHFFFAOYSA-N 1 2 349.416 2.088 10 5 EEBELO CCC[N@@H+](CCNC(=O)c1cncnc1)Cc1csc([N+](=O)[O-])c1 ZINC001266558104 1176840809 /nfs/dbraw/zinc/84/08/09/1176840809.db2.gz GOKLEBHRVRLAIA-UHFFFAOYSA-N 1 2 349.416 2.088 10 5 EEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000779216646 1209376282 /nfs/dbraw/zinc/37/62/82/1209376282.db2.gz IPNKLGVAODXVME-WONIAPNHSA-N 1 2 326.356 2.326 10 5 EEBELO C/C(=C\C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000900267404 1234135394 /nfs/dbraw/zinc/13/53/94/1234135394.db2.gz FNTRSMDWVNBJOD-JWAFFJSPSA-N 1 2 333.388 2.051 10 5 EEBELO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1c[nH]nc1[N+](=O)[O-] ZINC001298411722 1330073713 /nfs/dbraw/zinc/07/37/13/1330073713.db2.gz AGNLFCLDAPQQQF-UHFFFAOYSA-N 1 2 346.734 2.087 10 5 EEBELO CC(C)N(CC[N@H+](C)Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001332707810 1335888088 /nfs/dbraw/zinc/88/80/88/1335888088.db2.gz RRBNJLWHILPOBS-GDBMZVCRSA-N 1 2 337.395 2.160 10 5 EEBELO CC(C)N(CC[N@@H+](C)Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001332707810 1335888090 /nfs/dbraw/zinc/88/80/90/1335888090.db2.gz RRBNJLWHILPOBS-GDBMZVCRSA-N 1 2 337.395 2.160 10 5 EEBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCn2c[nH+]cc2C1 ZINC001334152731 1336213387 /nfs/dbraw/zinc/21/33/87/1336213387.db2.gz CAFJPZSWBPOJBK-UHFFFAOYSA-N 1 2 334.763 2.420 10 5 EEBELO COc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)c1 ZINC001652629075 1354097600 /nfs/dbraw/zinc/09/76/00/1354097600.db2.gz VQRULKUABZIKPD-UHFFFAOYSA-N 1 2 330.344 2.135 10 5 EEBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2cccnc21 ZINC001127583157 774480212 /nfs/dbraw/zinc/48/02/12/774480212.db2.gz PGKUOXPNFGWZSA-UHFFFAOYSA-N 1 2 335.323 2.378 10 5 EEBELO COc1ccc(C2CC[NH+](Cn3cc([N+](=O)[O-])c(C)n3)CC2)nc1 ZINC000844713261 789317792 /nfs/dbraw/zinc/31/77/92/789317792.db2.gz RIVGCZRGSKPTTI-UHFFFAOYSA-N 1 2 331.376 2.340 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000425976795 241193405 /nfs/dbraw/zinc/19/34/05/241193405.db2.gz HUMKRMBBSWYDNI-KRWDZBQOSA-N 1 2 346.431 2.481 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000425976795 241193410 /nfs/dbraw/zinc/19/34/10/241193410.db2.gz HUMKRMBBSWYDNI-KRWDZBQOSA-N 1 2 346.431 2.481 10 5 EEBELO Cc1ccc([C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)o1 ZINC000159113461 143794428 /nfs/dbraw/zinc/79/44/28/143794428.db2.gz QKKBWUIEGWLPKZ-INIZCTEOSA-N 1 2 345.355 2.169 10 5 EEBELO Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)o1 ZINC000159113461 143794430 /nfs/dbraw/zinc/79/44/30/143794430.db2.gz QKKBWUIEGWLPKZ-INIZCTEOSA-N 1 2 345.355 2.169 10 5 EEBELO Cn1cc[nH+]c1CN1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116278790 152047238 /nfs/dbraw/zinc/04/72/38/152047238.db2.gz QSJUPZYGRMAJOG-UHFFFAOYSA-N 1 2 349.822 2.300 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276920117 274273587 /nfs/dbraw/zinc/27/35/87/274273587.db2.gz KUJFLZOPTSBGIP-LLVKDONJSA-N 1 2 342.355 2.081 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276920117 274273590 /nfs/dbraw/zinc/27/35/90/274273590.db2.gz KUJFLZOPTSBGIP-LLVKDONJSA-N 1 2 342.355 2.081 10 5 EEBELO O=c1nc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)[nH][nH]1 ZINC000289354694 275111090 /nfs/dbraw/zinc/11/10/90/275111090.db2.gz GQFSDKXJMYWKQT-VIFPVBQESA-N 1 2 337.767 2.039 10 5 EEBELO O=c1nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)[nH][nH]1 ZINC000289354694 275111091 /nfs/dbraw/zinc/11/10/91/275111091.db2.gz GQFSDKXJMYWKQT-VIFPVBQESA-N 1 2 337.767 2.039 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000290051701 275174334 /nfs/dbraw/zinc/17/43/34/275174334.db2.gz RTYZJMNGZDICAD-GFCCVEGCSA-N 1 2 349.412 2.435 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000290051701 275174335 /nfs/dbraw/zinc/17/43/35/275174335.db2.gz RTYZJMNGZDICAD-GFCCVEGCSA-N 1 2 349.412 2.435 10 5 EEBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000292081837 275373368 /nfs/dbraw/zinc/37/33/68/275373368.db2.gz FUAXPDXKFYPMIU-LBPRGKRZSA-N 1 2 326.418 2.412 10 5 EEBELO NC(=O)c1cc([N+](=O)[O-])cnc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000301074891 294819967 /nfs/dbraw/zinc/81/99/67/294819967.db2.gz HBJNDVVNAHPPSV-UHFFFAOYSA-N 1 2 340.343 2.010 10 5 EEBELO O=[N+]([O-])c1ccc(F)cc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000302787609 311550484 /nfs/dbraw/zinc/55/04/84/311550484.db2.gz BCHBMNHFIJREEP-HNNXBMFYSA-N 1 2 341.408 2.354 10 5 EEBELO O=C(CCc1c[nH+]c[nH]1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564540803 319090164 /nfs/dbraw/zinc/09/01/64/319090164.db2.gz LTZALYNCFFGRAY-UHFFFAOYSA-N 1 2 327.344 2.091 10 5 EEBELO O=C(CCc1c[nH]c[nH+]1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564540803 319090167 /nfs/dbraw/zinc/09/01/67/319090167.db2.gz LTZALYNCFFGRAY-UHFFFAOYSA-N 1 2 327.344 2.091 10 5 EEBELO Cc1ccc(NCCCNc2nc(N(C)C)nc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000488410140 447847017 /nfs/dbraw/zinc/84/70/17/447847017.db2.gz KGDQQUZSLDYVCC-UHFFFAOYSA-N 1 2 345.407 2.377 10 5 EEBELO Cc1ccc(NCCCNc2nc(C)[nH+]c(N(C)C)n2)c([N+](=O)[O-])c1 ZINC000488410140 447847018 /nfs/dbraw/zinc/84/70/18/447847018.db2.gz KGDQQUZSLDYVCC-UHFFFAOYSA-N 1 2 345.407 2.377 10 5 EEBELO O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616767 462692186 /nfs/dbraw/zinc/69/21/86/462692186.db2.gz WMALALZRKBDPPC-UHFFFAOYSA-N 1 2 340.383 2.318 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093333681 463028277 /nfs/dbraw/zinc/02/82/77/463028277.db2.gz VFACLKYFTHHECZ-BFVZDQMLSA-N 1 2 341.795 2.278 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093333681 463028280 /nfs/dbraw/zinc/02/82/80/463028280.db2.gz VFACLKYFTHHECZ-BFVZDQMLSA-N 1 2 341.795 2.278 10 5 EEBELO NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000027271569 463186302 /nfs/dbraw/zinc/18/63/02/463186302.db2.gz OIYSOLJRJZQRHD-UHFFFAOYSA-N 1 2 340.383 2.016 10 5 EEBELO Cn1cc[nH+]c1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000057593473 463501970 /nfs/dbraw/zinc/50/19/70/463501970.db2.gz WRXMHEDVTCAJFK-UHFFFAOYSA-N 1 2 335.795 2.304 10 5 EEBELO COc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000177760731 463784885 /nfs/dbraw/zinc/78/48/85/463784885.db2.gz TWBPSMYABMTQHW-CYBMUJFWSA-N 1 2 330.344 2.105 10 5 EEBELO COc1cccc(N2CCN(c3cc[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000185726878 463869050 /nfs/dbraw/zinc/86/90/50/463869050.db2.gz BVDNKSZUDNYIAF-UHFFFAOYSA-N 1 2 329.360 2.028 10 5 EEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000279407061 464099019 /nfs/dbraw/zinc/09/90/19/464099019.db2.gz WQWAZPKUCMEEEZ-OKFGHLOFSA-N 1 2 347.415 2.177 10 5 EEBELO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1F ZINC000356877696 465594632 /nfs/dbraw/zinc/59/46/32/465594632.db2.gz GEVDJTFTKJRAFB-LLVKDONJSA-N 1 2 344.346 2.925 10 5 EEBELO Cc1cc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1[N+](=O)[O-] ZINC000340775559 466328406 /nfs/dbraw/zinc/32/84/06/466328406.db2.gz IXKKZQLVSFDYLZ-AWEZNQCLSA-N 1 2 343.387 2.240 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)o2)cc1 ZINC000338962242 466524687 /nfs/dbraw/zinc/52/46/87/466524687.db2.gz GDUGDFVKLMRINH-IYBDPMFKSA-N 1 2 330.340 2.454 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4COC[C@H](C3)O4)o2)cc1 ZINC000338962242 466524693 /nfs/dbraw/zinc/52/46/93/466524693.db2.gz GDUGDFVKLMRINH-IYBDPMFKSA-N 1 2 330.340 2.454 10 5 EEBELO COc1cc(C[N@H+](C)Cc2cnc(N(C)C)nc2)c([N+](=O)[O-])cc1F ZINC000362184671 466609972 /nfs/dbraw/zinc/60/99/72/466609972.db2.gz VTQPAFLMUWKQQA-UHFFFAOYSA-N 1 2 349.366 2.231 10 5 EEBELO COc1cc(C[N@@H+](C)Cc2cnc(N(C)C)nc2)c([N+](=O)[O-])cc1F ZINC000362184671 466609977 /nfs/dbraw/zinc/60/99/77/466609977.db2.gz VTQPAFLMUWKQQA-UHFFFAOYSA-N 1 2 349.366 2.231 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(C1)CCOCC2 ZINC000597485316 468571753 /nfs/dbraw/zinc/57/17/53/468571753.db2.gz STWBYEGTPFHJSC-UHFFFAOYSA-N 1 2 342.355 2.033 10 5 EEBELO C[C@@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1O ZINC000595742473 468982876 /nfs/dbraw/zinc/98/28/76/468982876.db2.gz GYXLAKLGPGQCRY-NXEZZACHSA-N 1 2 341.795 2.135 10 5 EEBELO COc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000593597569 469052371 /nfs/dbraw/zinc/05/23/71/469052371.db2.gz AMUGEMAGRGLXHK-UHFFFAOYSA-N 1 2 330.344 2.317 10 5 EEBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598946635 469060854 /nfs/dbraw/zinc/06/08/54/469060854.db2.gz HSQQWMIHVSVCHH-LLVKDONJSA-N 1 2 334.763 2.498 10 5 EEBELO CC[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000611404264 469242401 /nfs/dbraw/zinc/24/24/01/469242401.db2.gz ZZAIROLXXNZHCQ-ZDUSSCGKSA-N 1 2 342.359 2.218 10 5 EEBELO CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000596551648 469298864 /nfs/dbraw/zinc/29/88/64/469298864.db2.gz LTLDTUCDXAPIHL-MRXNPFEDSA-N 1 2 341.415 2.218 10 5 EEBELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2ncccc2[N+](=O)[O-])C1 ZINC000596551648 469298869 /nfs/dbraw/zinc/29/88/69/469298869.db2.gz LTLDTUCDXAPIHL-MRXNPFEDSA-N 1 2 341.415 2.218 10 5 EEBELO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599641351 469320233 /nfs/dbraw/zinc/32/02/33/469320233.db2.gz NUMPIZWVGZMAHV-CYBMUJFWSA-N 1 2 330.344 2.436 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599641351 469320235 /nfs/dbraw/zinc/32/02/35/469320235.db2.gz NUMPIZWVGZMAHV-CYBMUJFWSA-N 1 2 330.344 2.436 10 5 EEBELO O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cccc2[nH+]ccn21 ZINC000741970752 578126410 /nfs/dbraw/zinc/12/64/10/578126410.db2.gz MAPHFYIIDMOUGA-UHFFFAOYSA-N 1 2 330.275 2.399 10 5 EEBELO CCC[N@H+](CCNC(=O)CC(C)(C)C)Cc1c([N+](=O)[O-])ncn1C ZINC001691175508 1177673893 /nfs/dbraw/zinc/67/38/93/1177673893.db2.gz FDVQJXBLEXVBKN-UHFFFAOYSA-N 1 2 339.440 2.093 10 5 EEBELO CCC[N@@H+](CCNC(=O)CC(C)(C)C)Cc1c([N+](=O)[O-])ncn1C ZINC001691175508 1177673897 /nfs/dbraw/zinc/67/38/97/1177673897.db2.gz FDVQJXBLEXVBKN-UHFFFAOYSA-N 1 2 339.440 2.093 10 5 EEBELO Cn1nccc1C1=CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000795654267 1214677411 /nfs/dbraw/zinc/67/74/11/1214677411.db2.gz BCXQMHCWAFGGBJ-UHFFFAOYSA-N 1 2 338.371 2.425 10 5 EEBELO Cn1nccc1C1=CC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000795654267 1214677416 /nfs/dbraw/zinc/67/74/16/1214677416.db2.gz BCXQMHCWAFGGBJ-UHFFFAOYSA-N 1 2 338.371 2.425 10 5 EEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857945556 1293962398 /nfs/dbraw/zinc/96/23/98/1293962398.db2.gz QFCVSOZXRKSTDE-CEFACKQISA-N 1 2 326.356 2.326 10 5 EEBELO Nc1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC001141956749 1315400460 /nfs/dbraw/zinc/40/04/60/1315400460.db2.gz ADXFEFNGQCNQGJ-UHFFFAOYSA-N 1 2 342.290 2.149 10 5 EEBELO CC[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC001297274587 1329956091 /nfs/dbraw/zinc/95/60/91/1329956091.db2.gz WVTRZGYEXDRIPE-CVEARBPZSA-N 1 2 349.431 2.143 10 5 EEBELO CC[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC001297274587 1329956093 /nfs/dbraw/zinc/95/60/93/1329956093.db2.gz WVTRZGYEXDRIPE-CVEARBPZSA-N 1 2 349.431 2.143 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3c[nH]nc3C[C@H](C)C2)c1 ZINC001560143566 1342508343 /nfs/dbraw/zinc/50/83/43/1342508343.db2.gz FKIPXHHZYBVWQP-NSHDSACASA-N 1 2 344.371 2.299 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3c[nH]nc3C[C@H](C)C2)c1 ZINC001560143566 1342508349 /nfs/dbraw/zinc/50/83/49/1342508349.db2.gz FKIPXHHZYBVWQP-NSHDSACASA-N 1 2 344.371 2.299 10 5 EEBELO Cc1cc(OCC(=O)NCc2[nH]c3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC001652632133 1354097836 /nfs/dbraw/zinc/09/78/36/1354097836.db2.gz PLVYVZQHLVPYFZ-UHFFFAOYSA-N 1 2 344.371 2.200 10 5 EEBELO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC001660133421 1354402328 /nfs/dbraw/zinc/40/23/28/1354402328.db2.gz LJFUUIPQCUAATQ-PWSUYJOCSA-N 1 2 345.359 2.103 10 5 EEBELO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC001660133421 1354402332 /nfs/dbraw/zinc/40/23/32/1354402332.db2.gz LJFUUIPQCUAATQ-PWSUYJOCSA-N 1 2 345.359 2.103 10 5 EEBELO COc1ccc(C[N@@H+]2CCN(c3cnccn3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001660704467 1354521129 /nfs/dbraw/zinc/52/11/29/1354521129.db2.gz AIXJLUKYHFVMKB-CYBMUJFWSA-N 1 2 343.387 2.104 10 5 EEBELO COc1ccc(C[N@H+]2CCN(c3cnccn3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001660704467 1354521133 /nfs/dbraw/zinc/52/11/33/1354521133.db2.gz AIXJLUKYHFVMKB-CYBMUJFWSA-N 1 2 343.387 2.104 10 5 EEBELO CC(C)c1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001681657505 1358052126 /nfs/dbraw/zinc/05/21/26/1358052126.db2.gz CSSPBZPGHFBEPY-IAGOWNOFSA-N 1 2 331.416 2.119 10 5 EEBELO COc1cc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000451751414 243243068 /nfs/dbraw/zinc/24/30/68/243243068.db2.gz BGGOAJHJXBJHLG-QFIPXVFZSA-N 1 2 326.418 2.336 10 5 EEBELO COc1cc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000451751414 243243072 /nfs/dbraw/zinc/24/30/72/243243072.db2.gz BGGOAJHJXBJHLG-QFIPXVFZSA-N 1 2 326.418 2.336 10 5 EEBELO C[N@@H+]1CCO[C@@H](CNc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000091673639 218046087 /nfs/dbraw/zinc/04/60/87/218046087.db2.gz SCWQEWOMKPANCH-JTQLQIEISA-N 1 2 330.182 2.100 10 5 EEBELO C[N@H+]1CCO[C@@H](CNc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000091673639 218046088 /nfs/dbraw/zinc/04/60/88/218046088.db2.gz SCWQEWOMKPANCH-JTQLQIEISA-N 1 2 330.182 2.100 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000179622049 291823687 /nfs/dbraw/zinc/82/36/87/291823687.db2.gz WSWULHPLYCKFOB-OAHLLOKOSA-N 1 2 347.415 2.067 10 5 EEBELO CO[C@@H](C)c1noc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000267065612 256023595 /nfs/dbraw/zinc/02/35/95/256023595.db2.gz GGTPTHOSFDBJHJ-NSHDSACASA-N 1 2 336.348 2.196 10 5 EEBELO CO[C@@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000267065612 256023597 /nfs/dbraw/zinc/02/35/97/256023597.db2.gz GGTPTHOSFDBJHJ-NSHDSACASA-N 1 2 336.348 2.196 10 5 EEBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000184681173 160013511 /nfs/dbraw/zinc/01/35/11/160013511.db2.gz UUQLSNKTMOPSAT-GOEBONIOSA-N 1 2 349.431 2.000 10 5 EEBELO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000194991031 160203776 /nfs/dbraw/zinc/20/37/76/160203776.db2.gz PMXQYJZUYWFGLU-UHFFFAOYSA-N 1 2 337.339 2.034 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000195012630 160204397 /nfs/dbraw/zinc/20/43/97/160204397.db2.gz QNFSYJBLBFAKTJ-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000369180008 166206715 /nfs/dbraw/zinc/20/67/15/166206715.db2.gz HOAKCQIQOHYIFB-MRXNPFEDSA-N 1 2 337.395 2.421 10 5 EEBELO COC1(c2ccccc2)C[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000375576246 167160995 /nfs/dbraw/zinc/16/09/95/167160995.db2.gz FWGWFOODOYKZAG-KRWDZBQOSA-N 1 2 328.368 2.486 10 5 EEBELO O=[N+]([O-])c1cnc2ccccc2c1NCC1([NH+]2CCOCC2)CC1 ZINC000291890311 275350628 /nfs/dbraw/zinc/35/06/28/275350628.db2.gz JLCZJOSGENNMHG-UHFFFAOYSA-N 1 2 328.372 2.420 10 5 EEBELO C[NH+](C)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccsc1 ZINC000505602063 316364273 /nfs/dbraw/zinc/36/42/73/316364273.db2.gz LCFDEOXAYDISCB-AWEZNQCLSA-N 1 2 335.385 2.395 10 5 EEBELO Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347809296 465240694 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EEBELO CC1(C)CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000189633863 464535131 /nfs/dbraw/zinc/53/51/31/464535131.db2.gz PIYJZZDZDXNQPI-ZDUSSCGKSA-N 1 2 344.371 2.468 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000192577434 464950122 /nfs/dbraw/zinc/95/01/22/464950122.db2.gz ABAAVEUYNVEZIX-UHFFFAOYSA-N 1 2 341.371 2.223 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177235542 464964544 /nfs/dbraw/zinc/96/45/44/464964544.db2.gz BYUXHQGAKGEADP-RHSMWYFYSA-N 1 2 349.431 2.146 10 5 EEBELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000253356382 464992832 /nfs/dbraw/zinc/99/28/32/464992832.db2.gz PIHDQDODNBLYLD-WBVHZDCISA-N 1 2 345.399 2.127 10 5 EEBELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000253356382 464992841 /nfs/dbraw/zinc/99/28/41/464992841.db2.gz PIHDQDODNBLYLD-WBVHZDCISA-N 1 2 345.399 2.127 10 5 EEBELO Cc1c(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cccc1[N+](=O)[O-] 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345.359 2.274 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)nc2c1 ZINC000367210542 466194708 /nfs/dbraw/zinc/19/47/08/466194708.db2.gz FGMPKHSIGHHWQB-INIZCTEOSA-N 1 2 333.344 2.117 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@@]4(CCCOC4)C3)nc2c1 ZINC000367210542 466194714 /nfs/dbraw/zinc/19/47/14/466194714.db2.gz FGMPKHSIGHHWQB-INIZCTEOSA-N 1 2 333.344 2.117 10 5 EEBELO Nc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000378078749 467193149 /nfs/dbraw/zinc/19/31/49/467193149.db2.gz PGNWTNBPKBVFMU-UHFFFAOYSA-N 1 2 333.323 2.059 10 5 EEBELO Nc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000378078749 467193150 /nfs/dbraw/zinc/19/31/50/467193150.db2.gz PGNWTNBPKBVFMU-UHFFFAOYSA-N 1 2 333.323 2.059 10 5 EEBELO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000408042498 467499339 /nfs/dbraw/zinc/49/93/39/467499339.db2.gz RJBGCVBDAQGUGC-OLZOCXBDSA-N 1 2 341.433 2.006 10 5 EEBELO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000408042498 467499343 /nfs/dbraw/zinc/49/93/43/467499343.db2.gz RJBGCVBDAQGUGC-OLZOCXBDSA-N 1 2 341.433 2.006 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1=CCOCC1 ZINC000450628380 467882573 /nfs/dbraw/zinc/88/25/73/467882573.db2.gz VVGNVDUDAWSYBM-UHFFFAOYSA-N 1 2 333.388 2.186 10 5 EEBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000593510479 469011098 /nfs/dbraw/zinc/01/10/98/469011098.db2.gz UOMRAHIISXYBLC-UHFFFAOYSA-N 1 2 332.335 2.406 10 5 EEBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000593510479 469011103 /nfs/dbraw/zinc/01/11/03/469011103.db2.gz UOMRAHIISXYBLC-UHFFFAOYSA-N 1 2 332.335 2.406 10 5 EEBELO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)O1 ZINC000601769971 469014934 /nfs/dbraw/zinc/01/49/34/469014934.db2.gz QJBQDHOXVPTHMR-NQBHXWOUSA-N 1 2 330.344 2.076 10 5 EEBELO CN1c2ccccc2C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000598948226 469062922 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O=C(C[N@H+]1CCOCC2(CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611815637 469328799 /nfs/dbraw/zinc/32/87/99/469328799.db2.gz RXGDAWAETRIUBF-UHFFFAOYSA-N 1 2 339.779 2.299 10 5 EEBELO CCC1([NH+]2CCOCC2)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000599663046 469331342 /nfs/dbraw/zinc/33/13/42/469331342.db2.gz APIJXOSHGKMODW-UHFFFAOYSA-N 1 2 349.431 2.377 10 5 EEBELO CC(C)[S@](C)(=O)=NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001134112797 1199319385 /nfs/dbraw/zinc/31/93/85/1199319385.db2.gz PIPBIBNKOBGVKT-QHCPKHFHSA-N 1 2 336.373 2.427 10 5 EEBELO CO[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000870728054 1200838153 /nfs/dbraw/zinc/83/81/53/1200838153.db2.gz LYAKAQFUWJVSLA-TZMCWYRMSA-N 1 2 344.371 2.420 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852653129 1292153768 /nfs/dbraw/zinc/15/37/68/1292153768.db2.gz LOLSVXJASOLWFV-CYBMUJFWSA-N 1 2 340.811 2.436 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852653129 1292153772 /nfs/dbraw/zinc/15/37/72/1292153772.db2.gz LOLSVXJASOLWFV-CYBMUJFWSA-N 1 2 340.811 2.436 10 5 EEBELO CC[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001294210803 1328931108 /nfs/dbraw/zinc/93/11/08/1328931108.db2.gz OGOZBTGIXKYMEL-DLBZAZTESA-N 1 2 347.415 2.326 10 5 EEBELO CC[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001294210803 1328931112 /nfs/dbraw/zinc/93/11/12/1328931112.db2.gz OGOZBTGIXKYMEL-DLBZAZTESA-N 1 2 347.415 2.326 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC001654859993 1354160227 /nfs/dbraw/zinc/16/02/27/1354160227.db2.gz QPAVJDZQVRDEEU-MRXNPFEDSA-N 1 2 341.371 2.373 10 5 EEBELO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001686989706 1358528644 /nfs/dbraw/zinc/52/86/44/1358528644.db2.gz UQTXAZSKLGHTAG-QZTJIDSGSA-N 1 2 339.395 2.149 10 5 EEBELO Cc1cccc(CCCOCCOC(=O)c2ccc([N+](=O)[O-])n2C)[nH+]1 ZINC000844264023 788956778 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Cc1[nH]c(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[nH+]c1C ZINC001621992574 1352376491 /nfs/dbraw/zinc/37/64/91/1352376491.db2.gz OCMFTZGKDZLPRT-UHFFFAOYSA-N 1 2 340.343 2.050 10 5 EEBELO C[NH+](C)Cc1nc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)co1 ZINC001647848903 1353405184 /nfs/dbraw/zinc/40/51/84/1353405184.db2.gz FREDMLVBYICCDG-UHFFFAOYSA-N 1 2 343.343 2.056 10 5 EEBELO O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCc4[nH+]c[nH]c4C3)c2c1 ZINC001651915732 1354069758 /nfs/dbraw/zinc/06/97/58/1354069758.db2.gz ZVXHTWBPMHFAMG-UHFFFAOYSA-N 1 2 330.735 2.477 10 5 EEBELO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001654537136 1354151663 /nfs/dbraw/zinc/15/16/63/1354151663.db2.gz ZFVFOTIFTKQGIX-BLMDWJLWSA-N 1 2 348.399 2.434 10 5 EEBELO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001654537136 1354151665 /nfs/dbraw/zinc/15/16/65/1354151665.db2.gz ZFVFOTIFTKQGIX-BLMDWJLWSA-N 1 2 348.399 2.434 10 5 EEBELO CCC[N@H+](CCNC(=O)c1cnco1)Cc1csc([N+](=O)[O-])c1 ZINC001493306070 1107904248 /nfs/dbraw/zinc/90/42/48/1107904248.db2.gz FOHNXZOSRQKSPA-UHFFFAOYSA-N 1 2 338.389 2.286 10 5 EEBELO CCC[N@@H+](CCNC(=O)c1cnco1)Cc1csc([N+](=O)[O-])c1 ZINC001493306070 1107904254 /nfs/dbraw/zinc/90/42/54/1107904254.db2.gz FOHNXZOSRQKSPA-UHFFFAOYSA-N 1 2 338.389 2.286 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCn2nccc21 ZINC001527160860 1120697605 /nfs/dbraw/zinc/69/76/05/1120697605.db2.gz PTBSGSLZZYUZAX-UHFFFAOYSA-N 1 2 338.327 2.028 10 5 EEBELO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000267276382 285175065 /nfs/dbraw/zinc/17/50/65/285175065.db2.gz UGGRUTTWTGFTJE-SNVBAGLBSA-N 1 2 341.209 2.427 10 5 EEBELO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000267276382 285175070 /nfs/dbraw/zinc/17/50/70/285175070.db2.gz UGGRUTTWTGFTJE-SNVBAGLBSA-N 1 2 341.209 2.427 10 5 EEBELO CCOc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000267238170 256040640 /nfs/dbraw/zinc/04/06/40/256040640.db2.gz RHIAMZIAQGTTAQ-UHFFFAOYSA-N 1 2 345.403 2.049 10 5 EEBELO CCOc1cccc(N2CCN(c3cc[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000273921980 256339188 /nfs/dbraw/zinc/33/91/88/256339188.db2.gz ZTTNNWJQXCSMDE-UHFFFAOYSA-N 1 2 343.387 2.419 10 5 EEBELO COc1cc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000352776024 162282575 /nfs/dbraw/zinc/28/25/75/162282575.db2.gz ATJMQODZFPAWAL-UHFFFAOYSA-N 1 2 347.415 2.436 10 5 EEBELO COc1cc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)ccc1[N+](=O)[O-] ZINC000352776024 162282577 /nfs/dbraw/zinc/28/25/77/162282577.db2.gz ATJMQODZFPAWAL-UHFFFAOYSA-N 1 2 347.415 2.436 10 5 EEBELO COc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(F)cc1[N+](=O)[O-] ZINC000302154953 294935492 /nfs/dbraw/zinc/93/54/92/294935492.db2.gz MHMKDMIMMJQWMI-UHFFFAOYSA-N 1 2 347.350 2.168 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000459544814 315757852 /nfs/dbraw/zinc/75/78/52/315757852.db2.gz KGCGQHKESBGXSJ-UHFFFAOYSA-N 1 2 333.348 2.091 10 5 EEBELO C[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)CS(C)(=O)=O ZINC000153322543 462638653 /nfs/dbraw/zinc/63/86/53/462638653.db2.gz BSSLFAMLWYTQKL-GFCCVEGCSA-N 1 2 326.418 2.240 10 5 EEBELO C[C@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)CS(C)(=O)=O ZINC000153322543 462638661 /nfs/dbraw/zinc/63/86/61/462638661.db2.gz BSSLFAMLWYTQKL-GFCCVEGCSA-N 1 2 326.418 2.240 10 5 EEBELO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000131737930 462823387 /nfs/dbraw/zinc/82/33/87/462823387.db2.gz OJTIESMYQXBQOL-WMLDXEAASA-N 1 2 343.383 2.219 10 5 EEBELO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000131737930 462823391 /nfs/dbraw/zinc/82/33/91/462823391.db2.gz OJTIESMYQXBQOL-WMLDXEAASA-N 1 2 343.383 2.219 10 5 EEBELO Cc1cc(NCCC(=O)N(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000071899451 463462422 /nfs/dbraw/zinc/46/24/22/463462422.db2.gz SKYAHASSAAMBGO-UHFFFAOYSA-N 1 2 329.360 2.250 10 5 EEBELO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000255369553 463721178 /nfs/dbraw/zinc/72/11/78/463721178.db2.gz OCIFGQXEWAUHRW-MTWCHYJXSA-N 1 2 331.416 2.261 10 5 EEBELO COC(=O)c1cc(C)nc(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000286977952 463760681 /nfs/dbraw/zinc/76/06/81/463760681.db2.gz NXCMDLNQJSRWSO-UHFFFAOYSA-N 1 2 331.332 2.004 10 5 EEBELO CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177771623 463787936 /nfs/dbraw/zinc/78/79/36/463787936.db2.gz DYZAKWCZQVISRO-CQSZACIVSA-N 1 2 344.371 2.495 10 5 EEBELO CCOc1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000276923482 463806851 /nfs/dbraw/zinc/80/68/51/463806851.db2.gz PLUMVEULNIHWOE-CYBMUJFWSA-N 1 2 334.294 2.493 10 5 EEBELO CCOc1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000276923482 463806856 /nfs/dbraw/zinc/80/68/56/463806856.db2.gz PLUMVEULNIHWOE-CYBMUJFWSA-N 1 2 334.294 2.493 10 5 EEBELO CC(C)c1n[nH]c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000269488722 463998616 /nfs/dbraw/zinc/99/86/16/463998616.db2.gz XHJGSTFCVVJHSH-UHFFFAOYSA-N 1 2 332.364 2.184 10 5 EEBELO CC(C)c1[nH]nc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000269488722 463998620 /nfs/dbraw/zinc/99/86/20/463998620.db2.gz XHJGSTFCVVJHSH-UHFFFAOYSA-N 1 2 332.364 2.184 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173311414 464236400 /nfs/dbraw/zinc/23/64/00/464236400.db2.gz DWTVNHATEZQPRY-IUODEOHRSA-N 1 2 343.387 2.492 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173311414 464236402 /nfs/dbraw/zinc/23/64/02/464236402.db2.gz DWTVNHATEZQPRY-IUODEOHRSA-N 1 2 343.387 2.492 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285689825 464660294 /nfs/dbraw/zinc/66/02/94/464660294.db2.gz IDDVLKBWNSMAGM-GJZGRUSLSA-N 1 2 348.403 2.148 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285689825 464660301 /nfs/dbraw/zinc/66/03/01/464660301.db2.gz IDDVLKBWNSMAGM-GJZGRUSLSA-N 1 2 348.403 2.148 10 5 EEBELO COC(=O)c1cc(C)nc(NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000286224370 464845794 /nfs/dbraw/zinc/84/57/94/464845794.db2.gz SZQAUFUDGUWGQX-UHFFFAOYSA-N 1 2 345.359 2.158 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000183347621 464853408 /nfs/dbraw/zinc/85/34/08/464853408.db2.gz VRDJZBPKOHHOBQ-GFCCVEGCSA-N 1 2 326.418 2.301 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000183347621 464853416 /nfs/dbraw/zinc/85/34/16/464853416.db2.gz VRDJZBPKOHHOBQ-GFCCVEGCSA-N 1 2 326.418 2.301 10 5 EEBELO CCOc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000371445911 465798778 /nfs/dbraw/zinc/79/87/78/465798778.db2.gz ABNGZTYMFNIJOI-LLVKDONJSA-N 1 2 330.344 2.004 10 5 EEBELO CCOc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000371445911 465798783 /nfs/dbraw/zinc/79/87/83/465798783.db2.gz ABNGZTYMFNIJOI-LLVKDONJSA-N 1 2 330.344 2.004 10 5 EEBELO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[NH+]1CCN(C)CC1 ZINC000301292157 465937747 /nfs/dbraw/zinc/93/77/47/465937747.db2.gz VFGFWGDAGYFEAU-CQSZACIVSA-N 1 2 341.843 2.327 10 5 EEBELO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000414598348 467421629 /nfs/dbraw/zinc/42/16/29/467421629.db2.gz XYUSFJVFISNVFJ-SJKOYZFVSA-N 1 2 332.356 2.436 10 5 EEBELO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000414598348 467421633 /nfs/dbraw/zinc/42/16/33/467421633.db2.gz XYUSFJVFISNVFJ-SJKOYZFVSA-N 1 2 332.356 2.436 10 5 EEBELO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000414598345 467421872 /nfs/dbraw/zinc/42/18/72/467421872.db2.gz XYUSFJVFISNVFJ-PXAZEXFGSA-N 1 2 332.356 2.436 10 5 EEBELO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000414598345 467421874 /nfs/dbraw/zinc/42/18/74/467421874.db2.gz XYUSFJVFISNVFJ-PXAZEXFGSA-N 1 2 332.356 2.436 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000589518092 468159891 /nfs/dbraw/zinc/15/98/91/468159891.db2.gz VVWADONRHGKYEX-NSHDSACASA-N 1 2 330.287 2.195 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000589518092 468159895 /nfs/dbraw/zinc/15/98/95/468159895.db2.gz VVWADONRHGKYEX-NSHDSACASA-N 1 2 330.287 2.195 10 5 EEBELO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000600299223 468525410 /nfs/dbraw/zinc/52/54/10/468525410.db2.gz REKIAUOTVDAAOI-ZDUSSCGKSA-N 1 2 345.355 2.201 10 5 EEBELO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000600299223 468525416 /nfs/dbraw/zinc/52/54/16/468525416.db2.gz REKIAUOTVDAAOI-ZDUSSCGKSA-N 1 2 345.355 2.201 10 5 EEBELO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000594475366 468599187 /nfs/dbraw/zinc/59/91/87/468599187.db2.gz QQZFLWKVZDOTJE-UHFFFAOYSA-N 1 2 347.462 2.151 10 5 EEBELO O=[N+]([O-])c1ccc(CCO)c(-c2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000600793208 468659134 /nfs/dbraw/zinc/65/91/34/468659134.db2.gz MNLGVPRIGGGNBI-UHFFFAOYSA-N 1 2 329.356 2.028 10 5 EEBELO C[C@H](CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C)Cn1cc[nH+]c1 ZINC000601106202 468743496 /nfs/dbraw/zinc/74/34/96/468743496.db2.gz VTZRQZDIPNFHQZ-MRVPVSSYSA-N 1 2 332.286 2.292 10 5 EEBELO C[C@H]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000598212591 468795314 /nfs/dbraw/zinc/79/53/14/468795314.db2.gz LRWTVHMRNOWXDZ-GXTWGEPZSA-N 1 2 344.371 2.468 10 5 EEBELO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593094258 468869533 /nfs/dbraw/zinc/86/95/33/468869533.db2.gz YVDTVWNTPZCRIJ-CYBMUJFWSA-N 1 2 333.388 2.201 10 5 EEBELO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C2(CCC2)CO1 ZINC000593094258 468869535 /nfs/dbraw/zinc/86/95/35/468869535.db2.gz YVDTVWNTPZCRIJ-CYBMUJFWSA-N 1 2 333.388 2.201 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000610769015 469067575 /nfs/dbraw/zinc/06/75/75/469067575.db2.gz YIZWVYBZIFXWLC-UHFFFAOYSA-N 1 2 332.385 2.009 10 5 EEBELO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588930137 469180441 /nfs/dbraw/zinc/18/04/41/469180441.db2.gz LGPPNOSURZQZJZ-ZDUSSCGKSA-N 1 2 344.314 2.424 10 5 EEBELO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000596307713 469239314 /nfs/dbraw/zinc/23/93/14/469239314.db2.gz OJFWOOZDENOZBV-SECBINFHSA-N 1 2 343.225 2.459 10 5 EEBELO CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000596307713 469239321 /nfs/dbraw/zinc/23/93/21/469239321.db2.gz OJFWOOZDENOZBV-SECBINFHSA-N 1 2 343.225 2.459 10 5 EEBELO COC(=O)c1cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc([N+](=O)[O-])c1 ZINC000609618941 469949368 /nfs/dbraw/zinc/94/93/68/469949368.db2.gz KPGBCUJYUJCHIO-UHFFFAOYSA-N 1 2 340.295 2.281 10 5 EEBELO CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000898910367 693523264 /nfs/dbraw/zinc/52/32/64/693523264.db2.gz OTIFFOWLSYCYTG-LSDHHAIUSA-N 1 2 328.372 2.446 10 5 EEBELO CCC[N@H+](CCNC(=O)c1cn[nH]c1)Cc1csc([N+](=O)[O-])c1 ZINC001691175996 1177674892 /nfs/dbraw/zinc/67/48/92/1177674892.db2.gz VKDFIQPQSNJYGT-UHFFFAOYSA-N 1 2 337.405 2.021 10 5 EEBELO CCC[N@@H+](CCNC(=O)c1cn[nH]c1)Cc1csc([N+](=O)[O-])c1 ZINC001691175996 1177674897 /nfs/dbraw/zinc/67/48/97/1177674897.db2.gz VKDFIQPQSNJYGT-UHFFFAOYSA-N 1 2 337.405 2.021 10 5 EEBELO O=[N+]([O-])c1cn(Cc2[nH+]ccn2CC(F)F)c(Br)n1 ZINC000871677648 1197829296 /nfs/dbraw/zinc/82/92/96/1197829296.db2.gz CDVGBZFTGHIFSE-UHFFFAOYSA-N 1 2 336.096 2.064 10 5 EEBELO CC(=O)C1CC[NH+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)CC1 ZINC000872800771 1198391587 /nfs/dbraw/zinc/39/15/87/1198391587.db2.gz RDKGWBONJWNYDP-QGZVFWFLSA-N 1 2 345.399 2.169 10 5 EEBELO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000813499091 1199070429 /nfs/dbraw/zinc/07/04/29/1199070429.db2.gz LPIRWZBZTIAABD-OAHLLOKOSA-N 1 2 325.340 2.451 10 5 EEBELO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000813499091 1199070436 /nfs/dbraw/zinc/07/04/36/1199070436.db2.gz LPIRWZBZTIAABD-OAHLLOKOSA-N 1 2 325.340 2.451 10 5 EEBELO COc1cc(OCC(=O)Nc2c(C)c[nH+]cc2C)ccc1[N+](=O)[O-] ZINC001133681906 1201192186 /nfs/dbraw/zinc/19/21/86/1201192186.db2.gz BBUSJPRMNFNUJN-UHFFFAOYSA-N 1 2 331.328 2.055 10 5 EEBELO C[N@@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C(C)(C)C ZINC000880612497 1201542119 /nfs/dbraw/zinc/54/21/19/1201542119.db2.gz IQPMPYWXBUMZDL-AWEZNQCLSA-N 1 2 345.403 2.273 10 5 EEBELO C[N@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C(C)(C)C ZINC000880612497 1201542121 /nfs/dbraw/zinc/54/21/21/1201542121.db2.gz IQPMPYWXBUMZDL-AWEZNQCLSA-N 1 2 345.403 2.273 10 5 EEBELO O=C(O[C@@H]1CC[N@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000802241399 1237155571 /nfs/dbraw/zinc/15/55/71/1237155571.db2.gz MOEUTRFRXSABIQ-SNVBAGLBSA-N 1 2 348.277 2.397 10 5 EEBELO O=C(O[C@@H]1CC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000802241399 1237155575 /nfs/dbraw/zinc/15/55/75/1237155575.db2.gz MOEUTRFRXSABIQ-SNVBAGLBSA-N 1 2 348.277 2.397 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000853799318 1292458111 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O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccccc1 ZINC000153192564 462624112 /nfs/dbraw/zinc/62/41/12/462624112.db2.gz ZCGPIZUKMFQSJK-UHFFFAOYSA-N 1 2 325.368 2.269 10 5 EEBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccccc1 ZINC000153192564 462624116 /nfs/dbraw/zinc/62/41/16/462624116.db2.gz ZCGPIZUKMFQSJK-UHFFFAOYSA-N 1 2 325.368 2.269 10 5 EEBELO C[NH+]1CCN(C[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000065568617 462799453 /nfs/dbraw/zinc/79/94/53/462799453.db2.gz AXHQAUIVERWFMR-CQSZACIVSA-N 1 2 336.411 2.198 10 5 EEBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000093766140 463046503 /nfs/dbraw/zinc/04/65/03/463046503.db2.gz QAHLUEIBQUKLCD-ZDUSSCGKSA-N 1 2 334.294 2.436 10 5 EEBELO Cc1cnn(C[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)c1 ZINC000105892605 463490535 /nfs/dbraw/zinc/49/05/35/463490535.db2.gz LXRBDOZAMNOTKL-MRXNPFEDSA-N 1 2 330.388 2.309 10 5 EEBELO Cc1cnn(C[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)c1 ZINC000105892605 463490539 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CO[C@H](C)c1noc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000267065610 256023761 /nfs/dbraw/zinc/02/37/61/256023761.db2.gz GGTPTHOSFDBJHJ-LLVKDONJSA-N 1 2 336.348 2.196 10 5 EEBELO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000375648340 167174251 /nfs/dbraw/zinc/17/42/51/167174251.db2.gz VWFNLJRKGWSTKX-UHFFFAOYSA-N 1 2 339.311 2.442 10 5 EEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276920121 274273665 /nfs/dbraw/zinc/27/36/65/274273665.db2.gz KUJFLZOPTSBGIP-NSHDSACASA-N 1 2 342.355 2.081 10 5 EEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276920121 274273668 /nfs/dbraw/zinc/27/36/68/274273668.db2.gz KUJFLZOPTSBGIP-NSHDSACASA-N 1 2 342.355 2.081 10 5 EEBELO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000290622485 275223513 /nfs/dbraw/zinc/22/35/13/275223513.db2.gz FUSRAENYFZWCEC-OAHLLOKOSA-N 1 2 325.340 2.451 10 5 EEBELO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 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COc1ccc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000109818962 463650900 /nfs/dbraw/zinc/65/09/00/463650900.db2.gz QLEZEJJDBKLBHS-MRXNPFEDSA-N 1 2 349.431 2.290 10 5 EEBELO C[NH+](C)Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000182019988 464552890 /nfs/dbraw/zinc/55/28/90/464552890.db2.gz SKKVDBSFAVAYFE-UHFFFAOYSA-N 1 2 347.346 2.431 10 5 EEBELO CC[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000191037333 464766787 /nfs/dbraw/zinc/76/67/87/464766787.db2.gz YLILPEDEEDTNSH-LLVKDONJSA-N 1 2 344.297 2.385 10 5 EEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000373978134 466989163 /nfs/dbraw/zinc/98/91/63/466989163.db2.gz QFIHWKABPNAUMT-XFJVYGCCSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000373978134 466989166 /nfs/dbraw/zinc/98/91/66/466989166.db2.gz QFIHWKABPNAUMT-XFJVYGCCSA-N 1 2 334.372 2.377 10 5 EEBELO COc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000378071345 467190975 /nfs/dbraw/zinc/19/09/75/467190975.db2.gz BXADLXBAJZDUCW-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO COc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000378071345 467190978 /nfs/dbraw/zinc/19/09/78/467190978.db2.gz BXADLXBAJZDUCW-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO O=C(CCc1[nH]cc[nH+]1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558579531 468690477 /nfs/dbraw/zinc/69/04/77/468690477.db2.gz WLHAEJCPQLUKAZ-UHFFFAOYSA-N 1 2 327.344 2.091 10 5 EEBELO COC1CC(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000597859305 468696308 /nfs/dbraw/zinc/69/63/08/468696308.db2.gz UAOZTRHFTGUROO-UHFFFAOYSA-N 1 2 344.371 2.325 10 5 EEBELO O=[N+]([O-])c1cc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cs1 ZINC000598644363 468942512 /nfs/dbraw/zinc/94/25/12/468942512.db2.gz JPTVGOFLVKRRRT-ZDUSSCGKSA-N 1 2 338.410 2.416 10 5 EEBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598948244 469062401 /nfs/dbraw/zinc/06/24/01/469062401.db2.gz ROOXITYUZHOVFQ-UONOGXRCSA-N 1 2 328.372 2.101 10 5 EEBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000599044052 469097435 /nfs/dbraw/zinc/09/74/35/469097435.db2.gz UQPSWSBIEWWNEO-ZDUSSCGKSA-N 1 2 328.372 2.321 10 5 EEBELO COc1ccc(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000599745183 469355785 /nfs/dbraw/zinc/35/57/85/469355785.db2.gz QKJCDWBCINELAG-LLVKDONJSA-N 1 2 330.344 2.309 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCO[C@H](C2CC2)C1 ZINC000619154648 469539184 /nfs/dbraw/zinc/53/91/84/469539184.db2.gz BWFAHEOZGXBVAF-SFHVURJKSA-N 1 2 347.415 2.042 10 5 EEBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000898484446 693331850 /nfs/dbraw/zinc/33/18/50/693331850.db2.gz SVPFVLGNDBHLAN-JTQLQIEISA-N 1 2 329.759 2.412 10 5 EEBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000898484446 693331857 /nfs/dbraw/zinc/33/18/57/693331857.db2.gz SVPFVLGNDBHLAN-JTQLQIEISA-N 1 2 329.759 2.412 10 5 EEBELO CN(C)c1cc(F)c(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000898906580 693521865 /nfs/dbraw/zinc/52/18/65/693521865.db2.gz ITPXGQUCCRSSKD-UHFFFAOYSA-N 1 2 349.366 2.162 10 5 EEBELO COc1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC000898907780 693522325 /nfs/dbraw/zinc/52/23/25/693522325.db2.gz ZMRRUEQYAZMHIQ-UHFFFAOYSA-N 1 2 332.360 2.273 10 5 EEBELO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1sccc1Cl ZINC001691017584 1176496091 /nfs/dbraw/zinc/49/60/91/1176496091.db2.gz MEOOOOBDVCOUDS-MWLCHTKSSA-N 1 2 331.825 2.005 10 5 EEBELO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1sccc1Cl ZINC001691017584 1176496096 /nfs/dbraw/zinc/49/60/96/1176496096.db2.gz MEOOOOBDVCOUDS-MWLCHTKSSA-N 1 2 331.825 2.005 10 5 EEBELO Cc1c(C(=O)N2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000127060332 1200414415 /nfs/dbraw/zinc/41/44/15/1200414415.db2.gz NSYSRWDUNYLKFH-UHFFFAOYSA-N 1 2 348.359 2.040 10 5 EEBELO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000900404484 1234320576 /nfs/dbraw/zinc/32/05/76/1234320576.db2.gz HXWOMXXUBBMFDE-UHFFFAOYSA-N 1 2 327.743 2.308 10 5 EEBELO CCOc1cc(N2CC[NH+](CCOC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000852000929 1291949001 /nfs/dbraw/zinc/94/90/01/1291949001.db2.gz CESBTYMPAGAJFD-UHFFFAOYSA-N 1 2 345.346 2.355 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000855412810 1293206545 /nfs/dbraw/zinc/20/65/45/1293206545.db2.gz WLEWSTZDYJYISM-GTISMEIMSA-N 1 2 347.415 2.224 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000855412810 1293206551 /nfs/dbraw/zinc/20/65/51/1293206551.db2.gz WLEWSTZDYJYISM-GTISMEIMSA-N 1 2 347.415 2.224 10 5 EEBELO CC(C)(C(=O)N[C@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1F ZINC000857981767 1293977599 /nfs/dbraw/zinc/97/75/99/1293977599.db2.gz IVDTVOJSUQTXMI-ZDUSSCGKSA-N 1 2 332.335 2.469 10 5 EEBELO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860085803 1294798214 /nfs/dbraw/zinc/79/82/14/1294798214.db2.gz WIIHFRWEUDAWJS-GHMZBOCLSA-N 1 2 341.795 2.280 10 5 EEBELO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860085803 1294798220 /nfs/dbraw/zinc/79/82/20/1294798220.db2.gz WIIHFRWEUDAWJS-GHMZBOCLSA-N 1 2 341.795 2.280 10 5 EEBELO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1Cc2cccnc2C1=O ZINC000840061072 1315285545 /nfs/dbraw/zinc/28/55/45/1315285545.db2.gz BWLRDLCOACADGX-UHFFFAOYSA-N 1 2 326.356 2.078 10 5 EEBELO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1Cc2cccnc2C1=O ZINC000840061072 1315285551 /nfs/dbraw/zinc/28/55/51/1315285551.db2.gz BWLRDLCOACADGX-UHFFFAOYSA-N 1 2 326.356 2.078 10 5 EEBELO O=C(NOCc1ccccn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001161224366 1320425376 /nfs/dbraw/zinc/42/53/76/1320425376.db2.gz ZWMTWXUBSFRRMI-UHFFFAOYSA-N 1 2 339.311 2.037 10 5 EEBELO COCC[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000848485105 1338706919 /nfs/dbraw/zinc/70/69/19/1338706919.db2.gz IZJJATQGFKELOW-OAHLLOKOSA-N 1 2 346.387 2.153 10 5 EEBELO COCC[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)[C@@H]1CCOC1 ZINC000848485105 1338706924 /nfs/dbraw/zinc/70/69/24/1338706924.db2.gz IZJJATQGFKELOW-OAHLLOKOSA-N 1 2 346.387 2.153 10 5 EEBELO O=C(NCCc1cscn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001435496576 1341989627 /nfs/dbraw/zinc/98/96/27/1341989627.db2.gz DZKUSDYVFOKMRX-UHFFFAOYSA-N 1 2 343.368 2.210 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ncccn1 ZINC001648161307 1353419111 /nfs/dbraw/zinc/41/91/11/1353419111.db2.gz DVLZUGUQALOIIB-UHFFFAOYSA-N 1 2 329.360 2.154 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ncccn1 ZINC001648161307 1353419114 /nfs/dbraw/zinc/41/91/14/1353419114.db2.gz DVLZUGUQALOIIB-UHFFFAOYSA-N 1 2 329.360 2.154 10 5 EEBELO O=C(Nc1ccnc2ccnn21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001125412480 758080594 /nfs/dbraw/zinc/08/05/94/758080594.db2.gz IXJRMGOKTLDEHT-UHFFFAOYSA-N 1 2 349.310 2.076 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804333980 803923179 /nfs/dbraw/zinc/92/31/79/803923179.db2.gz USGCVOKVZHYFMU-ICDLMJIXSA-N 1 2 326.356 2.326 10 5 EEBELO C/C(=C/C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000790127816 808453454 /nfs/dbraw/zinc/45/34/54/808453454.db2.gz NBZPIRJNPFNWDD-ZSMUJPCHSA-N 1 2 347.415 2.177 10 5 EEBELO CCOc1cc(C(=O)NCc2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])cc1OC ZINC001566257192 1125592401 /nfs/dbraw/zinc/59/24/01/1125592401.db2.gz JGQPBCDIEVNYMC-UHFFFAOYSA-N 1 2 348.359 2.272 10 5 EEBELO O=C(CC(F)(F)F)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001480389764 1100195034 /nfs/dbraw/zinc/19/50/34/1100195034.db2.gz HOMHLRJJNYXVLY-GDGBQDQQSA-N 1 2 349.334 2.155 10 5 EEBELO O=C(CC(F)(F)F)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001480389764 1100195038 /nfs/dbraw/zinc/19/50/38/1100195038.db2.gz HOMHLRJJNYXVLY-GDGBQDQQSA-N 1 2 349.334 2.155 10 5 EEBELO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)C(C)(C)C ZINC001568476707 1124534807 /nfs/dbraw/zinc/53/48/07/1124534807.db2.gz JLEWFQFGHSFLSX-UHFFFAOYSA-N 1 2 335.404 2.100 10 5 EEBELO CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)C(C)(C)C ZINC001568476707 1124534814 /nfs/dbraw/zinc/53/48/14/1124534814.db2.gz JLEWFQFGHSFLSX-UHFFFAOYSA-N 1 2 335.404 2.100 10 5 EEBELO O=C(NCc1cscn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000050408802 214055825 /nfs/dbraw/zinc/05/58/25/214055825.db2.gz LEKZMADSDUFYOU-UHFFFAOYSA-N 1 2 329.341 2.167 10 5 EEBELO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCOC1 ZINC000426503366 241300479 /nfs/dbraw/zinc/30/04/79/241300479.db2.gz HYEGIJLIQBISQC-CYBMUJFWSA-N 1 2 346.330 2.434 10 5 EEBELO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCOC1 ZINC000426503366 241300484 /nfs/dbraw/zinc/30/04/84/241300484.db2.gz HYEGIJLIQBISQC-CYBMUJFWSA-N 1 2 346.330 2.434 10 5 EEBELO C[C@H]1C[C@@H](NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000456434571 244257999 /nfs/dbraw/zinc/25/79/99/244257999.db2.gz UZWOUSVUYHIVFQ-ISVAXAHUSA-N 1 2 336.298 2.434 10 5 EEBELO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000153523830 285091745 /nfs/dbraw/zinc/09/17/45/285091745.db2.gz WFDWAIGSUDLXFF-UHFFFAOYSA-N 1 2 333.779 2.360 10 5 EEBELO CO[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000447810915 286074564 /nfs/dbraw/zinc/07/45/64/286074564.db2.gz BRJWQEDGVLXEHF-KDOFPFPSSA-N 1 2 349.431 2.288 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187182880 160094466 /nfs/dbraw/zinc/09/44/66/160094466.db2.gz PUKGTFPFRDOAFU-UHFFFAOYSA-N 1 2 345.403 2.347 10 5 EEBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCSC[C@H]2CCO)c1 ZINC000355082119 163075013 /nfs/dbraw/zinc/07/50/13/163075013.db2.gz PNJVDPSDNHIZCM-GFCCVEGCSA-N 1 2 348.371 2.496 10 5 EEBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000355082119 163075014 /nfs/dbraw/zinc/07/50/14/163075014.db2.gz PNJVDPSDNHIZCM-GFCCVEGCSA-N 1 2 348.371 2.496 10 5 EEBELO C[C@H]1CCCN(c2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000114336499 279672345 /nfs/dbraw/zinc/67/23/45/279672345.db2.gz PZTMSEHNQPGYRA-LBPRGKRZSA-N 1 2 343.387 2.484 10 5 EEBELO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436962924 315017391 /nfs/dbraw/zinc/01/73/91/315017391.db2.gz FVPGZHYHDJXVQY-UHFFFAOYSA-N 1 2 335.404 2.494 10 5 EEBELO COc1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000444796869 315325564 /nfs/dbraw/zinc/32/55/64/315325564.db2.gz BYLXCVDDCINPRY-ZDUSSCGKSA-N 1 2 342.417 2.003 10 5 EEBELO COc1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000444796869 315325568 /nfs/dbraw/zinc/32/55/68/315325568.db2.gz BYLXCVDDCINPRY-ZDUSSCGKSA-N 1 2 342.417 2.003 10 5 EEBELO C[NH+](C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccsc1 ZINC000505602065 316364565 /nfs/dbraw/zinc/36/45/65/316364565.db2.gz LCFDEOXAYDISCB-CQSZACIVSA-N 1 2 335.385 2.395 10 5 EEBELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000339147174 465108538 /nfs/dbraw/zinc/10/85/38/465108538.db2.gz AHXAFNQPVXBEMS-IGCXYCKISA-N 1 2 336.388 2.459 10 5 EEBELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000339147174 465108540 /nfs/dbraw/zinc/10/85/40/465108540.db2.gz AHXAFNQPVXBEMS-IGCXYCKISA-N 1 2 336.388 2.459 10 5 EEBELO Cc1sc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000045237073 462570501 /nfs/dbraw/zinc/57/05/01/462570501.db2.gz DZCGNUWWHQVQCU-ZDUSSCGKSA-N 1 2 341.433 2.051 10 5 EEBELO CCOC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000112654769 463705568 /nfs/dbraw/zinc/70/55/68/463705568.db2.gz PKVSDLYAAMHPQE-UHFFFAOYSA-N 1 2 337.376 2.163 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363203439 466282393 /nfs/dbraw/zinc/28/23/93/466282393.db2.gz KONSODGCVKHNIO-UHFFFAOYSA-N 1 2 328.372 2.409 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)n1 ZINC000338920677 466485564 /nfs/dbraw/zinc/48/55/64/466485564.db2.gz QNHQENUUMLAJHF-UHFFFAOYSA-N 1 2 343.347 2.006 10 5 EEBELO COc1ccc(C[NH+]2CCC(c3n[nH]c(=O)o3)CC2)cc1[N+](=O)[O-] ZINC000450910555 467203894 /nfs/dbraw/zinc/20/38/94/467203894.db2.gz ASGBXHYCDBBIFG-UHFFFAOYSA-N 1 2 334.332 2.072 10 5 EEBELO COc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000449769459 467711728 /nfs/dbraw/zinc/71/17/28/467711728.db2.gz UQFTYGPWDKMDGL-UHFFFAOYSA-N 1 2 328.372 2.321 10 5 EEBELO Nc1[nH+]cnc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Cl ZINC000577415500 468184580 /nfs/dbraw/zinc/18/45/80/468184580.db2.gz SEVXMZSTLMHLGR-UHFFFAOYSA-N 1 2 332.751 2.756 10 5 EEBELO Nc1nc[nH+]c(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1Cl ZINC000577415500 468184586 /nfs/dbraw/zinc/18/45/86/468184586.db2.gz SEVXMZSTLMHLGR-UHFFFAOYSA-N 1 2 332.751 2.756 10 5 EEBELO CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600369689 468542460 /nfs/dbraw/zinc/54/24/60/468542460.db2.gz XEUDMXVIHURTOP-ZBFHGGJFSA-N 1 2 330.344 2.078 10 5 EEBELO C[C@]1(C2CC2)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000595625436 468928853 /nfs/dbraw/zinc/92/88/53/468928853.db2.gz MQRUEZOKMBIDHQ-FUHWJXTLSA-N 1 2 345.399 2.201 10 5 EEBELO C[C@]1(C2CC2)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000595625436 468928856 /nfs/dbraw/zinc/92/88/56/468928856.db2.gz MQRUEZOKMBIDHQ-FUHWJXTLSA-N 1 2 345.399 2.201 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625786 468928876 /nfs/dbraw/zinc/92/88/76/468928876.db2.gz OHEAHRVEEGOHQS-PXAZEXFGSA-N 1 2 333.388 2.423 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625786 468928878 /nfs/dbraw/zinc/92/88/78/468928878.db2.gz OHEAHRVEEGOHQS-PXAZEXFGSA-N 1 2 333.388 2.423 10 5 EEBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000598949224 469062328 /nfs/dbraw/zinc/06/23/28/469062328.db2.gz WWKJBQPVJZRNFC-QMMMGPOBSA-N 1 2 340.261 2.165 10 5 EEBELO O=C1[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000611180701 469185869 /nfs/dbraw/zinc/18/58/69/469185869.db2.gz POWPLKGVTWPSNB-ZDUSSCGKSA-N 1 2 337.326 2.431 10 5 EEBELO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596307894 469239362 /nfs/dbraw/zinc/23/93/62/469239362.db2.gz QJMWISCTTOIJAJ-SECBINFHSA-N 1 2 347.462 2.345 10 5 EEBELO CC(C)(C)[N@H+]1CC[C@@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596307894 469239366 /nfs/dbraw/zinc/23/93/66/469239366.db2.gz QJMWISCTTOIJAJ-SECBINFHSA-N 1 2 347.462 2.345 10 5 EEBELO Nc1cc(NCc2ccc[nH+]c2N2CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000596356808 469249430 /nfs/dbraw/zinc/24/94/30/469249430.db2.gz KWMJMMJQOHMXOT-UHFFFAOYSA-N 1 2 343.387 2.277 10 5 EEBELO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000770391634 577595300 /nfs/dbraw/zinc/59/53/00/577595300.db2.gz OGVOBNHDKHLCLG-RHSMWYFYSA-N 1 2 346.387 2.122 10 5 EEBELO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000770391634 577595301 /nfs/dbraw/zinc/59/53/01/577595301.db2.gz OGVOBNHDKHLCLG-RHSMWYFYSA-N 1 2 346.387 2.122 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)c1c(F)cccc1F)CC2 ZINC000754211218 577802443 /nfs/dbraw/zinc/80/24/43/577802443.db2.gz PKVYXJXLBCGUPJ-OAHLLOKOSA-N 1 2 335.310 2.360 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)c1c(F)cccc1F)CC2 ZINC000754211218 577802444 /nfs/dbraw/zinc/80/24/44/577802444.db2.gz PKVYXJXLBCGUPJ-OAHLLOKOSA-N 1 2 335.310 2.360 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000895809706 684727862 /nfs/dbraw/zinc/72/78/62/684727862.db2.gz QDCJFYBNULTJJI-UHFFFAOYSA-N 1 2 332.360 2.160 10 5 EEBELO COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)ccn1 ZINC001128896635 1195994877 /nfs/dbraw/zinc/99/48/77/1195994877.db2.gz WHZJGXNOOQPALD-UHFFFAOYSA-N 1 2 339.311 2.436 10 5 EEBELO C[N@@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C(C)(C)C ZINC000880612500 1201541473 /nfs/dbraw/zinc/54/14/73/1201541473.db2.gz IQPMPYWXBUMZDL-CQSZACIVSA-N 1 2 345.403 2.273 10 5 EEBELO C[N@H+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C(C)(C)C ZINC000880612500 1201541474 /nfs/dbraw/zinc/54/14/74/1201541474.db2.gz IQPMPYWXBUMZDL-CQSZACIVSA-N 1 2 345.403 2.273 10 5 EEBELO Cc1cccc(C(=O)NCc2nc(C[NH+](C)C)cs2)c1[N+](=O)[O-] ZINC000927773476 1206301002 /nfs/dbraw/zinc/30/10/02/1206301002.db2.gz MFZCQGLZWOIPTE-UHFFFAOYSA-N 1 2 334.401 2.351 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC001197544614 1284675990 /nfs/dbraw/zinc/67/59/90/1284675990.db2.gz YILJBGHYQHZPLE-NSHDSACASA-N 1 2 330.344 2.331 10 5 EEBELO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000852778051 1292194934 /nfs/dbraw/zinc/19/49/34/1292194934.db2.gz DPFPHYJSKKMCJK-RIEGTJTDSA-N 1 2 330.331 2.373 10 5 EEBELO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000852778051 1292194939 /nfs/dbraw/zinc/19/49/39/1292194939.db2.gz DPFPHYJSKKMCJK-RIEGTJTDSA-N 1 2 330.331 2.373 10 5 EEBELO CCC[C@H](O)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001157776573 1318853419 /nfs/dbraw/zinc/85/34/19/1318853419.db2.gz YLTVAZJBUPQRLL-ZDUSSCGKSA-N 1 2 332.360 2.061 10 5 EEBELO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001305600756 1331432915 /nfs/dbraw/zinc/43/29/15/1331432915.db2.gz GEBXISFQXIHNJR-CYBMUJFWSA-N 1 2 349.387 2.117 10 5 EEBELO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001305600756 1331432916 /nfs/dbraw/zinc/43/29/16/1331432916.db2.gz GEBXISFQXIHNJR-CYBMUJFWSA-N 1 2 349.387 2.117 10 5 EEBELO CC[N@H+](CCNC(=O)c1cccn1C)Cc1csc([N+](=O)[O-])c1 ZINC001317473813 1331565293 /nfs/dbraw/zinc/56/52/93/1331565293.db2.gz ZUMUHJRGVIIJMX-UHFFFAOYSA-N 1 2 336.417 2.247 10 5 EEBELO CC[N@@H+](CCNC(=O)c1cccn1C)Cc1csc([N+](=O)[O-])c1 ZINC001317473813 1331565298 /nfs/dbraw/zinc/56/52/98/1331565298.db2.gz ZUMUHJRGVIIJMX-UHFFFAOYSA-N 1 2 336.417 2.247 10 5 EEBELO Cc1cc(S(=O)(=O)N2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])s1 ZINC001331972488 1335693102 /nfs/dbraw/zinc/69/31/02/1335693102.db2.gz MWASBVVYGNXHBT-UHFFFAOYSA-N 1 2 347.462 2.070 10 5 EEBELO CC[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC001564497312 1342549759 /nfs/dbraw/zinc/54/97/59/1342549759.db2.gz OOEPOZYDWXUTRR-DOMZBBRYSA-N 1 2 329.360 2.167 10 5 EEBELO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1csnn1 ZINC001585258510 1348788629 /nfs/dbraw/zinc/78/86/29/1348788629.db2.gz LWVRTWZUBJQXJG-VIFPVBQESA-N 1 2 344.356 2.123 10 5 EEBELO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001597683631 1349930218 /nfs/dbraw/zinc/93/02/18/1349930218.db2.gz JLKJMOUCJVTIRF-OAHLLOKOSA-N 1 2 340.339 2.160 10 5 EEBELO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)nc1 ZINC001627442385 1352496179 /nfs/dbraw/zinc/49/61/79/1352496179.db2.gz OTSCVFBMIPJRNZ-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO Cc1ccc([C@H](C)[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)cc1[N+](=O)[O-] ZINC001653906183 1354135566 /nfs/dbraw/zinc/13/55/66/1354135566.db2.gz CCHQEUXVJXKMOF-NSHDSACASA-N 1 2 344.371 2.322 10 5 EEBELO C/C(=C\C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C[NH+]1CCOCC1 ZINC000908268300 785283942 /nfs/dbraw/zinc/28/39/42/785283942.db2.gz OSBSLHUXKKXGDE-ZRDIBKRKSA-N 1 2 333.388 2.429 10 5 EEBELO O=c1[nH]nc(C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)[nH]1 ZINC000808755742 812831600 /nfs/dbraw/zinc/83/16/00/812831600.db2.gz WCMDQLHLVNTYJK-UHFFFAOYSA-N 1 2 337.767 2.452 10 5 EEBELO Cc1cc(C)c(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC001460890963 1110327240 /nfs/dbraw/zinc/32/72/40/1110327240.db2.gz MUWQSNDFXASQBT-UHFFFAOYSA-N 1 2 339.355 2.273 10 5 EEBELO O=C(NCCn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001464131267 1110388044 /nfs/dbraw/zinc/38/80/44/1110388044.db2.gz ONIXQQSGMFJLMV-UHFFFAOYSA-N 1 2 328.250 2.240 10 5 EEBELO Cc1ncc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC001535552275 1123572872 /nfs/dbraw/zinc/57/28/72/1123572872.db2.gz BCHUEHKVFAZCHY-UHFFFAOYSA-N 1 2 327.300 2.007 10 5 EEBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000101563576 219137783 /nfs/dbraw/zinc/13/77/83/219137783.db2.gz MHFWHRWAMJHHHG-AWEZNQCLSA-N 1 2 335.404 2.484 10 5 EEBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000101563576 219137786 /nfs/dbraw/zinc/13/77/86/219137786.db2.gz MHFWHRWAMJHHHG-AWEZNQCLSA-N 1 2 335.404 2.484 10 5 EEBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000372335687 284116472 /nfs/dbraw/zinc/11/64/72/284116472.db2.gz ZFDPSKXMGMFARY-SNVBAGLBSA-N 1 2 326.312 2.351 10 5 EEBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000372335687 284116473 /nfs/dbraw/zinc/11/64/73/284116473.db2.gz ZFDPSKXMGMFARY-SNVBAGLBSA-N 1 2 326.312 2.351 10 5 EEBELO CCn1nncc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000459354578 245093176 /nfs/dbraw/zinc/09/31/76/245093176.db2.gz MHGZJCQNRCWGIW-UHFFFAOYSA-N 1 2 331.376 2.250 10 5 EEBELO CC(C)(O)C(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271288522 256230174 /nfs/dbraw/zinc/23/01/74/256230174.db2.gz BOMQWHXGHZEOBL-UHFFFAOYSA-N 1 2 332.360 2.060 10 5 EEBELO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000110959928 142349817 /nfs/dbraw/zinc/34/98/17/142349817.db2.gz XOWXXGLYKCNYNN-INIZCTEOSA-N 1 2 347.415 2.230 10 5 EEBELO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110768041 159363068 /nfs/dbraw/zinc/36/30/68/159363068.db2.gz GVFQYZOKRJFIRD-GFCCVEGCSA-N 1 2 344.327 2.135 10 5 EEBELO Cc1ccc(Cn2c(=O)onc2-c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000186602644 160076758 /nfs/dbraw/zinc/07/67/58/160076758.db2.gz IEHMRSZTAPPQHG-UHFFFAOYSA-N 1 2 326.312 2.472 10 5 EEBELO Cn1ccnc1[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000277347812 274285905 /nfs/dbraw/zinc/28/59/05/274285905.db2.gz VMCQXLFFWSDNFZ-HNNXBMFYSA-N 1 2 346.387 2.160 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)n2)cc1 ZINC000230118814 275034723 /nfs/dbraw/zinc/03/47/23/275034723.db2.gz FLCJJXOAGAQLIH-CVEARBPZSA-N 1 2 343.387 2.454 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCO[C@H]4CCCC[C@H]43)n2)cc1 ZINC000230118814 275034724 /nfs/dbraw/zinc/03/47/24/275034724.db2.gz FLCJJXOAGAQLIH-CVEARBPZSA-N 1 2 343.387 2.454 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000054545707 275034726 /nfs/dbraw/zinc/03/47/26/275034726.db2.gz FLCJJXOAGAQLIH-HOTGVXAUSA-N 1 2 343.387 2.454 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000054545707 275034727 /nfs/dbraw/zinc/03/47/27/275034727.db2.gz FLCJJXOAGAQLIH-HOTGVXAUSA-N 1 2 343.387 2.454 10 5 EEBELO COc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000131013809 462789181 /nfs/dbraw/zinc/78/91/81/462789181.db2.gz VTWBGIYTBSVWIO-UHFFFAOYSA-N 1 2 332.360 2.386 10 5 EEBELO C[NH+]1CCN(C[C@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000065568662 462799860 /nfs/dbraw/zinc/79/98/60/462799860.db2.gz XYAZFRWVMLIUBY-CQSZACIVSA-N 1 2 336.411 2.198 10 5 EEBELO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H]1C ZINC000095979953 463124670 /nfs/dbraw/zinc/12/46/70/463124670.db2.gz CHBMRYAOPQIKSG-QWRGUYRKSA-N 1 2 341.795 2.087 10 5 EEBELO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H]1C ZINC000095979953 463124674 /nfs/dbraw/zinc/12/46/74/463124674.db2.gz CHBMRYAOPQIKSG-QWRGUYRKSA-N 1 2 341.795 2.087 10 5 EEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])s1 ZINC000029917079 463279439 /nfs/dbraw/zinc/27/94/39/463279439.db2.gz ZXUWVLMWFGSUGJ-UHFFFAOYSA-N 1 2 329.341 2.167 10 5 EEBELO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000081318922 463419495 /nfs/dbraw/zinc/41/94/95/463419495.db2.gz RZQHLYPZTCNTDK-AWEZNQCLSA-N 1 2 339.355 2.370 10 5 EEBELO CO[C@H](C)c1noc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000081565473 463461912 /nfs/dbraw/zinc/46/19/12/463461912.db2.gz YUTDMOIWEHHJLE-LLVKDONJSA-N 1 2 336.348 2.196 10 5 EEBELO CO[C@H](C)c1noc(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000081565473 463461916 /nfs/dbraw/zinc/46/19/16/463461916.db2.gz YUTDMOIWEHHJLE-LLVKDONJSA-N 1 2 336.348 2.196 10 5 EEBELO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCOCC2)o1 ZINC000073109378 463584571 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341.408 2.480 10 5 EEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000898485629 693332933 /nfs/dbraw/zinc/33/29/33/693332933.db2.gz LZQKXOGLZQDKOE-LLVKDONJSA-N 1 2 341.408 2.480 10 5 EEBELO COc1cnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001272335643 1190766018 /nfs/dbraw/zinc/76/60/18/1190766018.db2.gz KGJIWQAZHPUFHR-UHFFFAOYSA-N 1 2 345.340 2.498 10 5 EEBELO Cc1sc(C(=O)NCc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000927771773 1206301065 /nfs/dbraw/zinc/30/10/65/1206301065.db2.gz OXQIFGOYQZBHMN-UHFFFAOYSA-N 1 2 340.430 2.413 10 5 EEBELO C[C@H](CNC(=O)NCc1ccc[nH+]c1N)c1ccccc1[N+](=O)[O-] ZINC001251305726 1317446606 /nfs/dbraw/zinc/44/66/06/1317446606.db2.gz XBZPXAJLGCEIDL-LLVKDONJSA-N 1 2 329.360 2.175 10 5 EEBELO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC001297868774 1330010980 /nfs/dbraw/zinc/01/09/80/1330010980.db2.gz OKBLIGPEQVBUAC-UHFFFAOYSA-N 1 2 340.343 2.169 10 5 EEBELO Cn1c[nH+]cc1CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001611515246 1352302167 /nfs/dbraw/zinc/30/21/67/1352302167.db2.gz DPLULJLGPRFYAG-UHFFFAOYSA-N 1 2 325.328 2.448 10 5 EEBELO C[C@@H](C(=O)NCc1coc(C[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC001558567652 1342482692 /nfs/dbraw/zinc/48/26/92/1342482692.db2.gz RRNKNQXFSQBBMB-LLVKDONJSA-N 1 2 332.360 2.064 10 5 EEBELO Nc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc2ccccc2c1[N+](=O)[O-] ZINC001634085364 1352621872 /nfs/dbraw/zinc/62/18/72/1352621872.db2.gz WZLYWUJVXPORHX-CYBMUJFWSA-N 1 2 337.339 2.402 10 5 EEBELO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001660661748 1354511797 /nfs/dbraw/zinc/51/17/97/1354511797.db2.gz FFAQINPWHKMIIH-MWLCHTKSSA-N 1 2 349.214 2.324 10 5 EEBELO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001660661748 1354511799 /nfs/dbraw/zinc/51/17/99/1354511799.db2.gz FFAQINPWHKMIIH-MWLCHTKSSA-N 1 2 349.214 2.324 10 5 EEBELO Cc1cc(C)nc(C2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000905978861 783640374 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COc1cc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000352766898 162279570 /nfs/dbraw/zinc/27/95/70/162279570.db2.gz DPEPFFXGDOHTGI-FVQBIDKESA-N 1 2 336.388 2.372 10 5 EEBELO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000352766898 162279572 /nfs/dbraw/zinc/27/95/72/162279572.db2.gz DPEPFFXGDOHTGI-FVQBIDKESA-N 1 2 336.388 2.372 10 5 EEBELO COc1cc(C[NH+]2CCN(c3cncc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000352775971 162281810 /nfs/dbraw/zinc/28/18/10/162281810.db2.gz AGCBFLFJCWGSBP-UHFFFAOYSA-N 1 2 346.362 2.460 10 5 EEBELO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358946397 164020642 /nfs/dbraw/zinc/02/06/42/164020642.db2.gz FYCKKRVVHYZRMX-UHFFFAOYSA-N 1 2 340.286 2.202 10 5 EEBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCOCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000360086691 164228665 /nfs/dbraw/zinc/22/86/65/164228665.db2.gz ULAAAHVWOBKUGX-ZDUSSCGKSA-N 1 2 333.388 2.343 10 5 EEBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CCOCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000360086691 164228668 /nfs/dbraw/zinc/22/86/68/164228668.db2.gz ULAAAHVWOBKUGX-ZDUSSCGKSA-N 1 2 333.388 2.343 10 5 EEBELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000122394633 222077320 /nfs/dbraw/zinc/07/73/20/222077320.db2.gz SUSRAJZGLJSOQB-INIZCTEOSA-N 1 2 330.388 2.309 10 5 EEBELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000122394633 222077324 /nfs/dbraw/zinc/07/73/24/222077324.db2.gz SUSRAJZGLJSOQB-INIZCTEOSA-N 1 2 330.388 2.309 10 5 EEBELO COC(=O)c1cc(N2CCC[C@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000301965454 294915393 /nfs/dbraw/zinc/91/53/93/294915393.db2.gz UUYHKTUMBLQWPD-ZDUSSCGKSA-N 1 2 330.344 2.247 10 5 EEBELO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccccc1[N+](=O)[O-] ZINC000539361939 318054376 /nfs/dbraw/zinc/05/43/76/318054376.db2.gz LWZIABLXDVDOGF-NSHDSACASA-N 1 2 338.327 2.062 10 5 EEBELO CCCc1n[nH]c(C(=O)NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000131463935 462812263 /nfs/dbraw/zinc/81/22/63/462812263.db2.gz FYALFYTXDFHVNN-UHFFFAOYSA-N 1 2 334.380 2.053 10 5 EEBELO COC(=O)Cn1cccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000097082113 463318135 /nfs/dbraw/zinc/31/81/35/463318135.db2.gz YKYVREIAZUWRCT-UHFFFAOYSA-N 1 2 329.356 2.128 10 5 EEBELO COC(=O)Cn1cccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000097082113 463318141 /nfs/dbraw/zinc/31/81/41/463318141.db2.gz YKYVREIAZUWRCT-UHFFFAOYSA-N 1 2 329.356 2.128 10 5 EEBELO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000182222328 464604313 /nfs/dbraw/zinc/60/43/13/464604313.db2.gz ILUMGNBXARDVRR-LRDDRELGSA-N 1 2 339.823 2.401 10 5 EEBELO Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000599907910 468411439 /nfs/dbraw/zinc/41/14/39/468411439.db2.gz PBLCQDDLWZHBJK-OAHLLOKOSA-N 1 2 342.399 2.363 10 5 EEBELO CC(C)N1C(=O)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000362353055 465672628 /nfs/dbraw/zinc/67/26/28/465672628.db2.gz KUYNWXXJAXFTKT-UHFFFAOYSA-N 1 2 335.404 2.305 10 5 EEBELO CC(C)N1C(=O)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000362353055 465672635 /nfs/dbraw/zinc/67/26/35/465672635.db2.gz KUYNWXXJAXFTKT-UHFFFAOYSA-N 1 2 335.404 2.305 10 5 EEBELO COc1ccc(NC(=O)C[N@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000361437953 465995705 /nfs/dbraw/zinc/99/57/05/465995705.db2.gz RWRBJDFSICWDAZ-UHFFFAOYSA-N 1 2 344.371 2.377 10 5 EEBELO COc1ccc(NC(=O)C[N@@H+](C)Cc2cnccc2C)c([N+](=O)[O-])c1 ZINC000361437953 465995711 /nfs/dbraw/zinc/99/57/11/465995711.db2.gz RWRBJDFSICWDAZ-UHFFFAOYSA-N 1 2 344.371 2.377 10 5 EEBELO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000362870726 466087040 /nfs/dbraw/zinc/08/70/40/466087040.db2.gz HHQFKDTZPHSTGJ-MRXNPFEDSA-N 1 2 343.431 2.388 10 5 EEBELO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000362870726 466087046 /nfs/dbraw/zinc/08/70/46/466087046.db2.gz HHQFKDTZPHSTGJ-MRXNPFEDSA-N 1 2 343.431 2.388 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N(C)C)c1 ZINC000302070486 466092817 /nfs/dbraw/zinc/09/28/17/466092817.db2.gz FBNMPOIMDFHGBF-UHFFFAOYSA-N 1 2 330.344 2.455 10 5 EEBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000372335686 466311116 /nfs/dbraw/zinc/31/11/16/466311116.db2.gz ZFDPSKXMGMFARY-JTQLQIEISA-N 1 2 326.312 2.351 10 5 EEBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000372335686 466311123 /nfs/dbraw/zinc/31/11/23/466311123.db2.gz ZFDPSKXMGMFARY-JTQLQIEISA-N 1 2 326.312 2.351 10 5 EEBELO Cc1sc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594108015 468486517 /nfs/dbraw/zinc/48/65/17/468486517.db2.gz OWIMQPQWXYIZFF-GARJFASQSA-N 1 2 341.433 2.192 10 5 EEBELO Cc1sc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000594108015 468486522 /nfs/dbraw/zinc/48/65/22/468486522.db2.gz OWIMQPQWXYIZFF-GARJFASQSA-N 1 2 341.433 2.192 10 5 EEBELO COC(=O)c1cc(C)nc(NCc2c[nH+]c(C)cc2C)c1[N+](=O)[O-] ZINC000450908733 467203614 /nfs/dbraw/zinc/20/36/14/467203614.db2.gz MSFILBIVXQGLGX-UHFFFAOYSA-N 1 2 330.344 2.709 10 5 EEBELO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H](O)C(F)(F)F ZINC000594616322 468638328 /nfs/dbraw/zinc/63/83/28/468638328.db2.gz XKGPUCPFCKPIDM-CYBMUJFWSA-N 1 2 336.310 2.275 10 5 EEBELO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H](O)C(F)(F)F ZINC000594616322 468638333 /nfs/dbraw/zinc/63/83/33/468638333.db2.gz XKGPUCPFCKPIDM-CYBMUJFWSA-N 1 2 336.310 2.275 10 5 EEBELO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790575 468686458 /nfs/dbraw/zinc/68/64/58/468686458.db2.gz SVTPBCWKPHVWLU-SNVBAGLBSA-N 1 2 347.462 2.116 10 5 EEBELO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790575 468686462 /nfs/dbraw/zinc/68/64/62/468686462.db2.gz SVTPBCWKPHVWLU-SNVBAGLBSA-N 1 2 347.462 2.116 10 5 EEBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593116804 468876582 /nfs/dbraw/zinc/87/65/82/468876582.db2.gz ILIUKXARSIWHBN-ZDUSSCGKSA-N 1 2 346.355 2.100 10 5 EEBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593116804 468876588 /nfs/dbraw/zinc/87/65/88/468876588.db2.gz ILIUKXARSIWHBN-ZDUSSCGKSA-N 1 2 346.355 2.100 10 5 EEBELO Cc1noc(C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595516702 468884530 /nfs/dbraw/zinc/88/45/30/468884530.db2.gz AJMVVFOZJQDJLH-VIFPVBQESA-N 1 2 336.314 2.207 10 5 EEBELO Cc1noc(C[N@@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595516702 468884533 /nfs/dbraw/zinc/88/45/33/468884533.db2.gz AJMVVFOZJQDJLH-VIFPVBQESA-N 1 2 336.314 2.207 10 5 EEBELO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593292715 468931220 /nfs/dbraw/zinc/93/12/20/468931220.db2.gz ANAPIBROKZLWTA-AWEZNQCLSA-N 1 2 344.371 2.422 10 5 EEBELO CC1([NH+]2CCCC2)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000601736915 468995694 /nfs/dbraw/zinc/99/56/94/468995694.db2.gz AGEOLPNNLFOKDZ-UHFFFAOYSA-N 1 2 333.388 2.391 10 5 EEBELO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000599075166 469109656 /nfs/dbraw/zinc/10/96/56/469109656.db2.gz ZDMFSEFUAKWZFA-LLVKDONJSA-N 1 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COc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179940 469185212 /nfs/dbraw/zinc/18/52/12/469185212.db2.gz OCVPDGDVWDYGFQ-VIFPVBQESA-N 1 2 329.303 2.129 10 5 EEBELO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000596977157 469428968 /nfs/dbraw/zinc/42/89/68/469428968.db2.gz HGJDKXDULXQUSJ-UHFFFAOYSA-N 1 2 327.388 2.060 10 5 EEBELO COC(=O)c1cc(N(C)CCCn2cc[nH+]c2)cc(C)c1[N+](=O)[O-] ZINC000133017795 533849433 /nfs/dbraw/zinc/84/94/33/533849433.db2.gz DTCHWORAWQFTBR-UHFFFAOYSA-N 1 2 332.360 2.413 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)c1cc(F)ccc1F)CC2 ZINC000754213180 577802459 /nfs/dbraw/zinc/80/24/59/577802459.db2.gz XDZZNFFDSQXFKO-MRXNPFEDSA-N 1 2 335.310 2.360 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)c1cc(F)ccc1F)CC2 ZINC000754213180 577802460 /nfs/dbraw/zinc/80/24/60/577802460.db2.gz XDZZNFFDSQXFKO-MRXNPFEDSA-N 1 2 335.310 2.360 10 5 EEBELO O=C(N[C@@H]1CCn2c[nH+]cc21)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000898809773 693464669 /nfs/dbraw/zinc/46/46/69/693464669.db2.gz DZJCUQIWXCFESX-CQSZACIVSA-N 1 2 326.356 2.474 10 5 EEBELO C/C(=C/C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000887398602 1204296998 /nfs/dbraw/zinc/29/69/98/1204296998.db2.gz COQZRXLTPDQLPS-SZGZABIGSA-N 1 2 347.415 2.093 10 5 EEBELO C[NH+](C)Cc1csc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000927768690 1206300611 /nfs/dbraw/zinc/30/06/11/1206300611.db2.gz NMWZCWFJNMBYQY-UHFFFAOYSA-N 1 2 348.428 2.362 10 5 EEBELO COC(=O)c1ccnc(Nc2ccc3c(c2)[nH+]cn3C)c1[N+](=O)[O-] ZINC001185536016 1278704261 /nfs/dbraw/zinc/70/42/61/1278704261.db2.gz WPAMNUCKXNZQJY-UHFFFAOYSA-N 1 2 327.300 2.407 10 5 EEBELO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1SC ZINC000857985627 1293979864 /nfs/dbraw/zinc/97/98/64/1293979864.db2.gz QAYNQVVAIARIPE-SNVBAGLBSA-N 1 2 348.384 2.397 10 5 EEBELO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[nH+]c1C ZINC001149405881 1315959731 /nfs/dbraw/zinc/95/97/31/1315959731.db2.gz ZXZUDXSOKJGJSG-UHFFFAOYSA-N 1 2 340.286 2.466 10 5 EEBELO C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](C)O1 ZINC001261654893 1322148642 /nfs/dbraw/zinc/14/86/42/1322148642.db2.gz GIEGBAJMEYMFNV-OLZOCXBDSA-N 1 2 331.376 2.310 10 5 EEBELO C[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H](C)O1 ZINC001261654893 1322148644 /nfs/dbraw/zinc/14/86/44/1322148644.db2.gz GIEGBAJMEYMFNV-OLZOCXBDSA-N 1 2 331.376 2.310 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC001303609412 1331361957 /nfs/dbraw/zinc/36/19/57/1331361957.db2.gz TYBWSTGNDLSCDO-LLVKDONJSA-N 1 2 332.364 2.128 10 5 EEBELO CC[N@H+](CCNC(=O)c1ccns1)Cc1csc([N+](=O)[O-])c1 ZINC001317480455 1332259264 /nfs/dbraw/zinc/25/92/64/1332259264.db2.gz XDGCRMGFRDZOTI-UHFFFAOYSA-N 1 2 340.430 2.365 10 5 EEBELO CC[N@@H+](CCNC(=O)c1ccns1)Cc1csc([N+](=O)[O-])c1 ZINC001317480455 1332259266 /nfs/dbraw/zinc/25/92/66/1332259266.db2.gz XDGCRMGFRDZOTI-UHFFFAOYSA-N 1 2 340.430 2.365 10 5 EEBELO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001663179939 1354932022 /nfs/dbraw/zinc/93/20/22/1354932022.db2.gz HJSFKBAQKHHEHI-DGCLKSJQSA-N 1 2 346.214 2.207 10 5 EEBELO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(Cl)cc1Cl ZINC001663179939 1354932026 /nfs/dbraw/zinc/93/20/26/1354932026.db2.gz HJSFKBAQKHHEHI-DGCLKSJQSA-N 1 2 346.214 2.207 10 5 EEBELO COc1cc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000451648029 243190414 /nfs/dbraw/zinc/19/04/14/243190414.db2.gz DAERLUFUZALSDH-ZDUSSCGKSA-N 1 2 342.417 2.003 10 5 EEBELO COc1cc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000451648029 243190418 /nfs/dbraw/zinc/19/04/18/243190418.db2.gz DAERLUFUZALSDH-ZDUSSCGKSA-N 1 2 342.417 2.003 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000248864564 160364869 /nfs/dbraw/zinc/36/48/69/160364869.db2.gz SQQBGSHWGXLBLV-PJODQICGSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000248864564 160364871 /nfs/dbraw/zinc/36/48/71/160364871.db2.gz SQQBGSHWGXLBLV-PJODQICGSA-N 1 2 334.372 2.377 10 5 EEBELO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245411852 160233421 /nfs/dbraw/zinc/23/34/21/160233421.db2.gz YUPVQVXEDKVJLA-WBMJQRKESA-N 1 2 334.351 2.392 10 5 EEBELO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245411852 160233422 /nfs/dbraw/zinc/23/34/22/160233422.db2.gz YUPVQVXEDKVJLA-WBMJQRKESA-N 1 2 334.351 2.392 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000247195123 160314358 /nfs/dbraw/zinc/31/43/58/160314358.db2.gz YLCXGPNBFASMLY-BFYDXBDKSA-N 1 2 336.388 2.372 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000247195123 160314359 /nfs/dbraw/zinc/31/43/59/160314359.db2.gz YLCXGPNBFASMLY-BFYDXBDKSA-N 1 2 336.388 2.372 10 5 EEBELO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000352582878 162199726 /nfs/dbraw/zinc/19/97/26/162199726.db2.gz MNMXQUDHHIMLCJ-UHFFFAOYSA-N 1 2 341.367 2.089 10 5 EEBELO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000352582878 162199727 /nfs/dbraw/zinc/19/97/27/162199727.db2.gz MNMXQUDHHIMLCJ-UHFFFAOYSA-N 1 2 341.367 2.089 10 5 EEBELO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000286729326 274900038 /nfs/dbraw/zinc/90/00/38/274900038.db2.gz FMIATIBSFCALAI-UHFFFAOYSA-N 1 2 341.371 2.222 10 5 EEBELO COc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000444272809 315287113 /nfs/dbraw/zinc/28/71/13/315287113.db2.gz YOEXIIZRPUKJCY-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO COc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000444272809 315287118 /nfs/dbraw/zinc/28/71/18/315287118.db2.gz YOEXIIZRPUKJCY-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO O=C(NCC1(CCO)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000154357555 462758400 /nfs/dbraw/zinc/75/84/00/462758400.db2.gz PWVNEQULXJCPRB-UHFFFAOYSA-N 1 2 344.371 2.063 10 5 EEBELO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1CC ZINC000116768958 462771964 /nfs/dbraw/zinc/77/19/64/462771964.db2.gz FUCOWIWSGDFZGF-GFCCVEGCSA-N 1 2 341.433 2.229 10 5 EEBELO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1CC ZINC000116768958 462771969 /nfs/dbraw/zinc/77/19/69/462771969.db2.gz FUCOWIWSGDFZGF-GFCCVEGCSA-N 1 2 341.433 2.229 10 5 EEBELO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093766979 463047939 /nfs/dbraw/zinc/04/79/39/463047939.db2.gz GLZBCFYQHVDZKP-LBPRGKRZSA-N 1 2 329.347 2.462 10 5 EEBELO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093766979 463047942 /nfs/dbraw/zinc/04/79/42/463047942.db2.gz GLZBCFYQHVDZKP-LBPRGKRZSA-N 1 2 329.347 2.462 10 5 EEBELO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000054992025 463274765 /nfs/dbraw/zinc/27/47/65/463274765.db2.gz IQISRMBLLQNYHH-ZDUSSCGKSA-N 1 2 345.321 2.280 10 5 EEBELO O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000054992025 463274769 /nfs/dbraw/zinc/27/47/69/463274769.db2.gz IQISRMBLLQNYHH-ZDUSSCGKSA-N 1 2 345.321 2.280 10 5 EEBELO CCC(C)(C)NC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030911085 463316960 /nfs/dbraw/zinc/31/69/60/463316960.db2.gz XOCKPAUFGAYRJZ-UHFFFAOYSA-N 1 2 334.420 2.022 10 5 EEBELO COc1cc(OCc2nc([C@H](C)n3cc[nH+]c3)no2)ccc1[N+](=O)[O-] ZINC000072285626 463497311 /nfs/dbraw/zinc/49/73/11/463497311.db2.gz KEIJELREQDBMMD-JTQLQIEISA-N 1 2 345.315 2.371 10 5 EEBELO COC(=O)c1cc(C)nc(Nc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000286305633 464875429 /nfs/dbraw/zinc/87/54/29/464875429.db2.gz YTGXZZKBPXBKOX-UHFFFAOYSA-N 1 2 331.332 2.289 10 5 EEBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366289748 465635840 /nfs/dbraw/zinc/63/58/40/465635840.db2.gz SEYSSBPUTWBGGN-JTQLQIEISA-N 1 2 330.344 2.004 10 5 EEBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366289748 465635847 /nfs/dbraw/zinc/63/58/47/465635847.db2.gz SEYSSBPUTWBGGN-JTQLQIEISA-N 1 2 330.344 2.004 10 5 EEBELO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361191344 465825473 /nfs/dbraw/zinc/82/54/73/465825473.db2.gz RNGFAQBHCWGUOO-ZDUSSCGKSA-N 1 2 330.344 2.032 10 5 EEBELO O=[N+]([O-])c1cnc2ccc(NCc3ccc(N4CCCC4)[nH+]c3)nn21 ZINC000301838150 466043090 /nfs/dbraw/zinc/04/30/90/466043090.db2.gz NENHGJMJXUSQLR-UHFFFAOYSA-N 1 2 339.359 2.245 10 5 EEBELO CCc1cc(NCc2c[nH+]cn2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357610495 466175333 /nfs/dbraw/zinc/17/53/33/466175333.db2.gz XQJLMTXBFMDGBG-UHFFFAOYSA-N 1 2 338.371 2.382 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000340797307 466343510 /nfs/dbraw/zinc/34/35/10/466343510.db2.gz MCSDUMAMDGDAPV-CYBMUJFWSA-N 1 2 343.387 2.240 10 5 EEBELO Cc1cc(C)c(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000452041702 467311947 /nfs/dbraw/zinc/31/19/47/467311947.db2.gz MNTAPWKGZBOUEE-UHFFFAOYSA-N 1 2 335.385 2.226 10 5 EEBELO Cc1noc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595516700 468884615 /nfs/dbraw/zinc/88/46/15/468884615.db2.gz AJMVVFOZJQDJLH-SECBINFHSA-N 1 2 336.314 2.207 10 5 EEBELO Cc1noc(C[N@@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000595516700 468884619 /nfs/dbraw/zinc/88/46/19/468884619.db2.gz AJMVVFOZJQDJLH-SECBINFHSA-N 1 2 336.314 2.207 10 5 EEBELO C[C@@]1(C(F)F)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000595916281 469082388 /nfs/dbraw/zinc/08/23/88/469082388.db2.gz LDQHWWLSHRHXEH-HNNXBMFYSA-N 1 2 343.330 2.279 10 5 EEBELO C[C@@]1(C(F)F)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000595916281 469082394 /nfs/dbraw/zinc/08/23/94/469082394.db2.gz LDQHWWLSHRHXEH-HNNXBMFYSA-N 1 2 343.330 2.279 10 5 EEBELO CC(C)C(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599013091 469087080 /nfs/dbraw/zinc/08/70/80/469087080.db2.gz JXZWCVCXONKHTQ-UHFFFAOYSA-N 1 2 328.372 2.448 10 5 EEBELO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183505 469153263 /nfs/dbraw/zinc/15/32/63/469153263.db2.gz QISUHAUNIDFFBI-MRXNPFEDSA-N 1 2 343.387 2.006 10 5 EEBELO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183505 469153267 /nfs/dbraw/zinc/15/32/67/469153267.db2.gz QISUHAUNIDFFBI-MRXNPFEDSA-N 1 2 343.387 2.006 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCO[C@@H](C2CC2)C1 ZINC000619154647 469539165 /nfs/dbraw/zinc/53/91/65/469539165.db2.gz BWFAHEOZGXBVAF-GOSISDBHSA-N 1 2 347.415 2.042 10 5 EEBELO COc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000610032167 469975638 /nfs/dbraw/zinc/97/56/38/469975638.db2.gz FFQQNOZJSISZNW-UHFFFAOYSA-N 1 2 348.340 2.052 10 5 EEBELO C/C(=C\C(=O)OCC[N@@H+]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000800200019 1202219561 /nfs/dbraw/zinc/21/95/61/1202219561.db2.gz ZLFXNBQWTQKTAU-YPDDLIOESA-N 1 2 334.372 2.262 10 5 EEBELO C/C(=C\C(=O)OCC[N@H+]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000800200019 1202219562 /nfs/dbraw/zinc/21/95/62/1202219562.db2.gz ZLFXNBQWTQKTAU-YPDDLIOESA-N 1 2 334.372 2.262 10 5 EEBELO CC[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000928638622 1206405419 /nfs/dbraw/zinc/40/54/19/1206405419.db2.gz AFDTXHWOCCRRBP-HECSCLNYSA-N 1 2 347.415 2.225 10 5 EEBELO C/C(=C\C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000900968310 1235059929 /nfs/dbraw/zinc/05/99/29/1235059929.db2.gz RDHOXUQZCRTSGN-NRMKIYEFSA-N 1 2 347.415 2.359 10 5 EEBELO Cc1nn(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1[N+](=O)[O-] ZINC001650777810 1354029726 /nfs/dbraw/zinc/02/97/26/1354029726.db2.gz UVCMBXXPECFKKX-UHFFFAOYSA-N 1 2 340.343 2.383 10 5 EEBELO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000438429377 242017674 /nfs/dbraw/zinc/01/76/74/242017674.db2.gz VTBNWOKCUXSETD-FRRDWIJNSA-N 1 2 344.371 2.418 10 5 EEBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000446090103 242157327 /nfs/dbraw/zinc/15/73/27/242157327.db2.gz KJNJJWZXWJBRQP-LLVKDONJSA-N 1 2 341.795 2.007 10 5 EEBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000446090103 242157330 /nfs/dbraw/zinc/15/73/30/242157330.db2.gz KJNJJWZXWJBRQP-LLVKDONJSA-N 1 2 341.795 2.007 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000451912041 243311427 /nfs/dbraw/zinc/31/14/27/243311427.db2.gz QPPZNEIOYLYZTR-OQPBUACISA-N 1 2 345.277 2.481 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000451912041 243311436 /nfs/dbraw/zinc/31/14/36/243311436.db2.gz QPPZNEIOYLYZTR-OQPBUACISA-N 1 2 345.277 2.481 10 5 EEBELO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@@H+]1CCOC ZINC000117303710 221049294 /nfs/dbraw/zinc/04/92/94/221049294.db2.gz HOPSXZQIHCQXMK-LBPRGKRZSA-N 1 2 341.433 2.148 10 5 EEBELO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC[N@H+]1CCOC ZINC000117303710 221049296 /nfs/dbraw/zinc/04/92/96/221049296.db2.gz HOPSXZQIHCQXMK-LBPRGKRZSA-N 1 2 341.433 2.148 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246303695 160272647 /nfs/dbraw/zinc/27/26/47/160272647.db2.gz BYUXHQGAKGEADP-PBHICJAKSA-N 1 2 349.431 2.146 10 5 EEBELO COc1cc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000352417550 162128918 /nfs/dbraw/zinc/12/89/18/162128918.db2.gz QRISGCTXWORESE-LLVKDONJSA-N 1 2 342.417 2.001 10 5 EEBELO COc1cc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)ccc1[N+](=O)[O-] ZINC000352417550 162128922 /nfs/dbraw/zinc/12/89/22/162128922.db2.gz QRISGCTXWORESE-LLVKDONJSA-N 1 2 342.417 2.001 10 5 EEBELO COc1cc(N2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])cc1F ZINC000268262629 277825770 /nfs/dbraw/zinc/82/57/70/277825770.db2.gz ZNWDRFPMABFDER-UHFFFAOYSA-N 1 2 346.362 2.460 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000301458928 294859066 /nfs/dbraw/zinc/85/90/66/294859066.db2.gz XWZSKGXXVZRVLZ-MNOVXSKESA-N 1 2 327.356 2.264 10 5 EEBELO CC(C)(C)c1nc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000301508357 294863376 /nfs/dbraw/zinc/86/33/76/294863376.db2.gz HRQXHFNAXNAFCF-UKRRQHHQSA-N 1 2 346.387 2.189 10 5 EEBELO Cc1nsc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000566419043 319284060 /nfs/dbraw/zinc/28/40/60/319284060.db2.gz OGIMFJFFPKSGLL-UHFFFAOYSA-N 1 2 333.417 2.385 10 5 EEBELO COC(=O)c1c(Cl)c(N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000590575208 468277423 /nfs/dbraw/zinc/27/74/23/468277423.db2.gz HVGRTTZRLSISAE-UHFFFAOYSA-N 1 2 339.779 2.319 10 5 EEBELO CCOc1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000046591341 462690342 /nfs/dbraw/zinc/69/03/42/462690342.db2.gz DRGHPNUIHCWXGU-UHFFFAOYSA-N 1 2 344.371 2.385 10 5 EEBELO CCN(CC)C(=O)C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053431978 463161763 /nfs/dbraw/zinc/16/17/63/463161763.db2.gz NXLVACLZAOABNW-OAHLLOKOSA-N 1 2 348.447 2.142 10 5 EEBELO CCN(CC)C(=O)CN1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053431978 463161770 /nfs/dbraw/zinc/16/17/70/463161770.db2.gz NXLVACLZAOABNW-OAHLLOKOSA-N 1 2 348.447 2.142 10 5 EEBELO COC(=O)c1cc(C)nc(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000283409188 463875423 /nfs/dbraw/zinc/87/54/23/463875423.db2.gz ARAJAJZSMCPVDA-UHFFFAOYSA-N 1 2 345.359 2.394 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285689836 464659769 /nfs/dbraw/zinc/65/97/69/464659769.db2.gz IDDVLKBWNSMAGM-LSDHHAIUSA-N 1 2 348.403 2.148 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285689836 464659774 /nfs/dbraw/zinc/65/97/74/464659774.db2.gz IDDVLKBWNSMAGM-LSDHHAIUSA-N 1 2 348.403 2.148 10 5 EEBELO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000330875160 465841807 /nfs/dbraw/zinc/84/18/07/465841807.db2.gz UHYXGDNQMJXYGT-JTQLQIEISA-N 1 2 332.809 2.115 10 5 EEBELO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCS(=O)(=O)C1 ZINC000330875160 465841812 /nfs/dbraw/zinc/84/18/12/465841812.db2.gz UHYXGDNQMJXYGT-JTQLQIEISA-N 1 2 332.809 2.115 10 5 EEBELO COC(=O)c1cc(C)nc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000367279483 466235047 /nfs/dbraw/zinc/23/50/47/466235047.db2.gz WNUJQPBUVBDSJM-ZDUSSCGKSA-N 1 2 348.403 2.007 10 5 EEBELO Cc1noc(CN2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000350012971 466350699 /nfs/dbraw/zinc/35/06/99/466350699.db2.gz SRIHMZCKROXAIF-XQRVVYSFSA-N 1 2 343.387 2.117 10 5 EEBELO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206986 468495515 /nfs/dbraw/zinc/49/55/15/468495515.db2.gz JZURAAOEVAFIRX-SUXDSQMHSA-N 1 2 336.413 2.260 10 5 EEBELO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206986 468495518 /nfs/dbraw/zinc/49/55/18/468495518.db2.gz JZURAAOEVAFIRX-SUXDSQMHSA-N 1 2 336.413 2.260 10 5 EEBELO COC(=O)[C@H]1CSCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412069655 466994156 /nfs/dbraw/zinc/99/41/56/466994156.db2.gz HQJGQLPWHMOSMX-SNVBAGLBSA-N 1 2 328.365 2.072 10 5 EEBELO COC(=O)[C@H]1CSCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412069655 466994162 /nfs/dbraw/zinc/99/41/62/466994162.db2.gz HQJGQLPWHMOSMX-SNVBAGLBSA-N 1 2 328.365 2.072 10 5 EEBELO 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ZINC000599085118 469112082 /nfs/dbraw/zinc/11/20/82/469112082.db2.gz MSVNNHWYSCLEES-LLVKDONJSA-N 1 2 335.385 2.380 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)n1 ZINC000764916034 577490757 /nfs/dbraw/zinc/49/07/57/577490757.db2.gz CIQXRNNUGWOWCW-AWEZNQCLSA-N 1 2 331.376 2.280 10 5 EEBELO CO[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000870710041 1200829604 /nfs/dbraw/zinc/82/96/04/1200829604.db2.gz YLZBBYVOBKUKSH-TZMCWYRMSA-N 1 2 344.371 2.420 10 5 EEBELO C/C(=C\C(=O)OCC[N@@H+]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000800200016 1202219523 /nfs/dbraw/zinc/21/95/23/1202219523.db2.gz ZLFXNBQWTQKTAU-CMPYXILNSA-N 1 2 334.372 2.262 10 5 EEBELO C/C(=C\C(=O)OCC[N@H+]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000800200016 1202219524 /nfs/dbraw/zinc/21/95/24/1202219524.db2.gz ZLFXNBQWTQKTAU-CMPYXILNSA-N 1 2 334.372 2.262 10 5 EEBELO CCc1onc(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000930680303 1206575251 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COC(=O)c1cc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC001465394777 1110416542 /nfs/dbraw/zinc/41/65/42/1110416542.db2.gz ZXXOTSNPWIHQRO-CYBMUJFWSA-N 1 2 335.360 2.193 10 5 EEBELO COC(=O)c1cc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC001465394777 1110416544 /nfs/dbraw/zinc/41/65/44/1110416544.db2.gz ZXXOTSNPWIHQRO-CYBMUJFWSA-N 1 2 335.360 2.193 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC001471918900 1110535319 /nfs/dbraw/zinc/53/53/19/1110535319.db2.gz VJGFSEBKWPRBGZ-UHFFFAOYSA-N 1 2 341.371 2.410 10 5 EEBELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(-c3nc[nH]n3)no2)cc1[N+](=O)[O-] ZINC001473316735 1110574057 /nfs/dbraw/zinc/57/40/57/1110574057.db2.gz VWACPEVPJNQHNR-NXEZZACHSA-N 1 2 343.347 2.483 10 5 EEBELO O=C(Nc1nnc2ccccn21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001514790862 1118872899 /nfs/dbraw/zinc/87/28/99/1118872899.db2.gz ZAPCTLCMFZNYRX-UHFFFAOYSA-N 1 2 349.310 2.076 10 5 EEBELO CO[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451105486 243002170 /nfs/dbraw/zinc/00/21/70/243002170.db2.gz CJTTVPNCPRPPEP-QWHCGFSZSA-N 1 2 330.344 2.078 10 5 EEBELO Cc1noc([C@H](C)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000195198651 160207844 /nfs/dbraw/zinc/20/78/44/160207844.db2.gz XPLOSKIOWUPDBS-LBPRGKRZSA-N 1 2 331.376 2.165 10 5 EEBELO Cc1ccc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c([N+](=O)[O-])c1 ZINC000340793067 160954700 /nfs/dbraw/zinc/95/47/00/160954700.db2.gz ZJWPVPCCTBFSMD-CQSZACIVSA-N 1 2 343.387 2.240 10 5 EEBELO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969880 315018082 /nfs/dbraw/zinc/01/80/82/315018082.db2.gz ZUUPFOZHUOLRBL-CQSZACIVSA-N 1 2 343.383 2.203 10 5 EEBELO CN(C)c1[nH+]cccc1CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342927328 465394276 /nfs/dbraw/zinc/39/42/76/465394276.db2.gz PERJZICPFZVQMN-UHFFFAOYSA-N 1 2 339.355 2.467 10 5 EEBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC000153170682 462621528 /nfs/dbraw/zinc/62/15/28/462621528.db2.gz JVCIEOJWOGPIQS-UHFFFAOYSA-N 1 2 343.358 2.408 10 5 EEBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC000153170682 462621534 /nfs/dbraw/zinc/62/15/34/462621534.db2.gz JVCIEOJWOGPIQS-UHFFFAOYSA-N 1 2 343.358 2.408 10 5 EEBELO Cc1nc(N2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cc[nH+]1 ZINC000283150487 463781691 /nfs/dbraw/zinc/78/16/91/463781691.db2.gz OKUGROIFJGLFNP-UHFFFAOYSA-N 1 2 331.351 2.155 10 5 EEBELO Cc1cc(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)nc(C2CC2)[nH+]1 ZINC000264674610 464417537 /nfs/dbraw/zinc/41/75/37/464417537.db2.gz VJZVFMGCFVKWOH-GDBMZVCRSA-N 1 2 344.371 2.077 10 5 EEBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000191330558 464812695 /nfs/dbraw/zinc/81/26/95/464812695.db2.gz KGKSULRRPGSPQK-AWEZNQCLSA-N 1 2 348.403 2.150 10 5 EEBELO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCn2cc(C)[nH+]c2C1 ZINC000371703472 465951234 /nfs/dbraw/zinc/95/12/34/465951234.db2.gz MEXWBBISFIIGQU-UHFFFAOYSA-N 1 2 348.334 2.436 10 5 EEBELO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000362870725 466086981 /nfs/dbraw/zinc/08/69/81/466086981.db2.gz HHQFKDTZPHSTGJ-INIZCTEOSA-N 1 2 343.431 2.388 10 5 EEBELO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000362870725 466086984 /nfs/dbraw/zinc/08/69/84/466086984.db2.gz HHQFKDTZPHSTGJ-INIZCTEOSA-N 1 2 343.431 2.388 10 5 EEBELO C[NH+](C)CCCC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000354421112 466555239 /nfs/dbraw/zinc/55/52/39/466555239.db2.gz BUALFIHMJJPIPN-UHFFFAOYSA-N 1 2 335.404 2.494 10 5 EEBELO COC(=O)[C@@H]1CSCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412069653 466992690 /nfs/dbraw/zinc/99/26/90/466992690.db2.gz HQJGQLPWHMOSMX-JTQLQIEISA-N 1 2 328.365 2.072 10 5 EEBELO COC(=O)[C@@H]1CSCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000412069653 466992694 /nfs/dbraw/zinc/99/26/94/466992694.db2.gz HQJGQLPWHMOSMX-JTQLQIEISA-N 1 2 328.365 2.072 10 5 EEBELO C[N@@H+]1CCO[C@@H](CSc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000400795003 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EEBELO Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301476751 465970827 /nfs/dbraw/zinc/97/08/27/465970827.db2.gz OTFFMOUWRUVVLJ-GFCCVEGCSA-N 1 2 325.796 2.468 10 5 EEBELO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000354446162 466573513 /nfs/dbraw/zinc/57/35/13/466573513.db2.gz NBLITYNVPDZBJZ-UHFFFAOYSA-N 1 2 345.746 2.408 10 5 EEBELO CNC(=O)c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000364401160 466698569 /nfs/dbraw/zinc/69/85/69/466698569.db2.gz FCFZKHXWVPSAEF-UHFFFAOYSA-N 1 2 329.360 2.062 10 5 EEBELO CNC(=O)c1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000364401160 466698576 /nfs/dbraw/zinc/69/85/76/466698576.db2.gz FCFZKHXWVPSAEF-UHFFFAOYSA-N 1 2 329.360 2.062 10 5 EEBELO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378079967 467193237 /nfs/dbraw/zinc/19/32/37/467193237.db2.gz SFEFORFKZPAVJD-UHFFFAOYSA-N 1 2 330.344 2.103 10 5 EEBELO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378079967 467193241 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EEBELO C[C@@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000601101463 468741831 /nfs/dbraw/zinc/74/18/31/468741831.db2.gz RULXQGCSQPGVJD-CHWSQXEVSA-N 1 2 331.376 2.074 10 5 EEBELO COCc1cnc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148599 468761297 /nfs/dbraw/zinc/76/12/97/468761297.db2.gz DUCMAGSIDCPDKQ-OAHLLOKOSA-N 1 2 337.401 2.195 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2nnc(C)s2)c1 ZINC000593023885 468843362 /nfs/dbraw/zinc/84/33/62/468843362.db2.gz FJQBVJXWMJWSKW-QMMMGPOBSA-N 1 2 336.373 2.392 10 5 EEBELO CN(C)c1[nH+]cccc1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593405262 468963945 /nfs/dbraw/zinc/96/39/45/468963945.db2.gz KBDOEYOSNJNITR-UHFFFAOYSA-N 1 2 332.335 2.054 10 5 EEBELO Cc1cc(N[C@H]2C[C@@H](O)C23CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596513887 469288853 /nfs/dbraw/zinc/28/88/53/469288853.db2.gz WUICIXLUBPJNRX-LSDHHAIUSA-N 1 2 340.383 2.498 10 5 EEBELO CN(Cc1c[nH+]c[nH]1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596600743 469309893 /nfs/dbraw/zinc/30/98/93/469309893.db2.gz KECKSIQHBNMMBZ-UHFFFAOYSA-N 1 2 342.359 2.183 10 5 EEBELO CN(Cc1c[nH]c[nH+]1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000596600743 469309900 /nfs/dbraw/zinc/30/99/00/469309900.db2.gz KECKSIQHBNMMBZ-UHFFFAOYSA-N 1 2 342.359 2.183 10 5 EEBELO COC(=O)C1C[C@H](C)[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599687561 469337933 /nfs/dbraw/zinc/33/79/33/469337933.db2.gz DCMJUHKJPFWOKL-RYUDHWBXSA-N 1 2 349.387 2.195 10 5 EEBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000776278743 577456562 /nfs/dbraw/zinc/45/65/62/577456562.db2.gz UJFRRQZBOUNRGH-QZTJIDSGSA-N 1 2 344.367 2.407 10 5 EEBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000776278743 577456563 /nfs/dbraw/zinc/45/65/63/577456563.db2.gz UJFRRQZBOUNRGH-QZTJIDSGSA-N 1 2 344.367 2.407 10 5 EEBELO COC(C)(C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000928592311 684461296 /nfs/dbraw/zinc/46/12/96/684461296.db2.gz NFOAPAPCDTXYMR-NSHDSACASA-N 1 2 332.360 2.324 10 5 EEBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000898483146 693331817 /nfs/dbraw/zinc/33/18/17/693331817.db2.gz HVFFVLNRPHMGRP-NSHDSACASA-N 1 2 329.759 2.412 10 5 EEBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000898483146 693331822 /nfs/dbraw/zinc/33/18/22/693331822.db2.gz HVFFVLNRPHMGRP-NSHDSACASA-N 1 2 329.759 2.412 10 5 EEBELO COc1cc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc([N+](=O)[O-])c1C ZINC000898498226 693342638 /nfs/dbraw/zinc/34/26/38/693342638.db2.gz HEGGZZSYNUEACJ-ZDUSSCGKSA-N 1 2 339.367 2.076 10 5 EEBELO COc1cc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc([N+](=O)[O-])c1C ZINC000898498226 693342643 /nfs/dbraw/zinc/34/26/43/693342643.db2.gz HEGGZZSYNUEACJ-ZDUSSCGKSA-N 1 2 339.367 2.076 10 5 EEBELO CNc1cc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)cc[nH+]1 ZINC001670928885 1193529019 /nfs/dbraw/zinc/52/90/19/1193529019.db2.gz DQZAGVWVSDJYCZ-UHFFFAOYSA-N 1 2 345.359 2.040 10 5 EEBELO O=C(NC1CC2(CSC2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871511577 1197758400 /nfs/dbraw/zinc/75/84/00/1197758400.db2.gz RCXOBKWGDBAQJI-UHFFFAOYSA-N 1 2 344.396 2.406 10 5 EEBELO CO[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000870728051 1200836465 /nfs/dbraw/zinc/83/64/65/1200836465.db2.gz LYAKAQFUWJVSLA-GXTWGEPZSA-N 1 2 344.371 2.420 10 5 EEBELO CC(C)(C(=O)N[C@@H]1CCn2c[nH+]cc21)c1ccc([N+](=O)[O-])cc1F ZINC000857981766 1293977781 /nfs/dbraw/zinc/97/77/81/1293977781.db2.gz IVDTVOJSUQTXMI-CYBMUJFWSA-N 1 2 332.335 2.469 10 5 EEBELO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000859041902 1294301393 /nfs/dbraw/zinc/30/13/93/1294301393.db2.gz PKWVEUYVWKGUGV-CYBMUJFWSA-N 1 2 343.383 2.199 10 5 EEBELO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc3ccccc32)CCO1 ZINC000859041902 1294301399 /nfs/dbraw/zinc/30/13/99/1294301399.db2.gz PKWVEUYVWKGUGV-CYBMUJFWSA-N 1 2 343.383 2.199 10 5 EEBELO O=C(Nc1ccc(=O)[nH]c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001611273308 1352297776 /nfs/dbraw/zinc/29/77/76/1352297776.db2.gz XMECIJJDTMRXQP-UHFFFAOYSA-N 1 2 325.284 2.133 10 5 EEBELO CC[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC001564376607 1342549175 /nfs/dbraw/zinc/54/91/75/1342549175.db2.gz OOEPOZYDWXUTRR-SWLSCSKDSA-N 1 2 329.360 2.167 10 5 EEBELO Cc1cc(C(=O)NCCCN(C)c2cccc[nH+]2)c(N)c([N+](=O)[O-])c1 ZINC001588309412 1348882994 /nfs/dbraw/zinc/88/29/94/1348882994.db2.gz OYVRWDJHOBALSD-UHFFFAOYSA-N 1 2 343.387 2.137 10 5 EEBELO COc1ccc2ncc([N+](=O)[O-])c(NCCNc3cccc[nH+]3)c2c1 ZINC001649308812 1353471750 /nfs/dbraw/zinc/47/17/50/1353471750.db2.gz BPZIICBHMNNBGV-UHFFFAOYSA-N 1 2 339.355 2.493 10 5 EEBELO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001473670614 1110578254 /nfs/dbraw/zinc/57/82/54/1110578254.db2.gz MDMXGGMBQWRFNA-PHIMTYICSA-N 1 2 346.343 2.028 10 5 EEBELO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001473670614 1110578256 /nfs/dbraw/zinc/57/82/56/1110578256.db2.gz MDMXGGMBQWRFNA-PHIMTYICSA-N 1 2 346.343 2.028 10 5 EEBELO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001543359084 1124128826 /nfs/dbraw/zinc/12/88/26/1124128826.db2.gz UKHQSAFKKRAVRJ-HNNXBMFYSA-N 1 2 329.360 2.015 10 5 EEBELO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001543359084 1124128827 /nfs/dbraw/zinc/12/88/27/1124128827.db2.gz UKHQSAFKKRAVRJ-HNNXBMFYSA-N 1 2 329.360 2.015 10 5 EEBELO O=[N+]([O-])c1cccc(Nc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])c1 ZINC000040648926 213363605 /nfs/dbraw/zinc/36/36/05/213363605.db2.gz ZOTRPRLVHFATFD-UHFFFAOYSA-N 1 2 327.260 2.222 10 5 EEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000040553586 213348183 /nfs/dbraw/zinc/34/81/83/213348183.db2.gz UZCIYUKCQBZZKH-UHFFFAOYSA-N 1 2 338.327 2.497 10 5 EEBELO C[N@@H+]1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000367701553 283055407 /nfs/dbraw/zinc/05/54/07/283055407.db2.gz ZKHJQLDSLRIMEW-WBVHZDCISA-N 1 2 341.367 2.476 10 5 EEBELO C[N@H+]1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000367701553 283055411 /nfs/dbraw/zinc/05/54/11/283055411.db2.gz ZKHJQLDSLRIMEW-WBVHZDCISA-N 1 2 341.367 2.476 10 5 EEBELO NC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000158086251 283299189 /nfs/dbraw/zinc/29/91/89/283299189.db2.gz KMHISSPOYYNHID-UHFFFAOYSA-N 1 2 346.309 2.200 10 5 EEBELO NC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000158086251 283299192 /nfs/dbraw/zinc/29/91/92/283299192.db2.gz KMHISSPOYYNHID-UHFFFAOYSA-N 1 2 346.309 2.200 10 5 EEBELO NC(=O)c1ccc(N2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000072287556 216119610 /nfs/dbraw/zinc/11/96/10/216119610.db2.gz BPKXIWSOHCRLDD-UHFFFAOYSA-N 1 2 346.412 2.077 10 5 EEBELO COc1cc(C[NH+]2CC(C)(CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459621957 245190246 /nfs/dbraw/zinc/19/02/46/245190246.db2.gz OQTLEQYFCXTFIV-UHFFFAOYSA-N 1 2 346.330 2.062 10 5 EEBELO CCc1ccc(Nc2ncnc(N3CC[NH+](C)CC3)c2[N+](=O)[O-])cc1 ZINC000040587232 132404042 /nfs/dbraw/zinc/40/40/42/132404042.db2.gz UDMXZQTVISQIEO-UHFFFAOYSA-N 1 2 342.403 2.443 10 5 EEBELO O=[N+]([O-])c1ccn(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)n1 ZINC000356595509 141022743 /nfs/dbraw/zinc/02/27/43/141022743.db2.gz QMGDFGXOOKPREV-UHFFFAOYSA-N 1 2 337.299 2.075 10 5 EEBELO COc1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000341931337 161025188 /nfs/dbraw/zinc/02/51/88/161025188.db2.gz RDJFGBXHAABNKP-UHFFFAOYSA-N 1 2 328.372 2.321 10 5 EEBELO CC(C)(C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000343203554 161112852 /nfs/dbraw/zinc/11/28/52/161112852.db2.gz HDJTYABUWCNQLR-LLVKDONJSA-N 1 2 328.372 2.269 10 5 EEBELO CC(C)(C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000343203554 161112853 /nfs/dbraw/zinc/11/28/53/161112853.db2.gz HDJTYABUWCNQLR-LLVKDONJSA-N 1 2 328.372 2.269 10 5 EEBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364860292 165298201 /nfs/dbraw/zinc/29/82/01/165298201.db2.gz OSABPMSJQXXNBE-SNVBAGLBSA-N 1 2 336.298 2.083 10 5 EEBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364860292 165298204 /nfs/dbraw/zinc/29/82/04/165298204.db2.gz OSABPMSJQXXNBE-SNVBAGLBSA-N 1 2 336.298 2.083 10 5 EEBELO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@]2(CCOC2)O1 ZINC000374018324 167004697 /nfs/dbraw/zinc/00/46/97/167004697.db2.gz NOLGTVPXGSOPFS-NVXWUHKLSA-N 1 2 336.388 2.373 10 5 EEBELO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@]2(CCOC2)O1 ZINC000374018324 167004701 /nfs/dbraw/zinc/00/47/01/167004701.db2.gz NOLGTVPXGSOPFS-NVXWUHKLSA-N 1 2 336.388 2.373 10 5 EEBELO COC(=O)c1cc(C)nc(N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000376452396 277150520 /nfs/dbraw/zinc/15/05/20/277150520.db2.gz ZPNWRVAGPGZNRP-UHFFFAOYSA-N 1 2 345.359 2.192 10 5 EEBELO COC(=O)c1cc(C)nc(N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000376452396 277150521 /nfs/dbraw/zinc/15/05/21/277150521.db2.gz ZPNWRVAGPGZNRP-UHFFFAOYSA-N 1 2 345.359 2.192 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000564880815 319122373 /nfs/dbraw/zinc/12/23/73/319122373.db2.gz FOUGUJIRSZXOKJ-UHFFFAOYSA-N 1 2 342.355 2.343 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000564880815 319122374 /nfs/dbraw/zinc/12/23/74/319122374.db2.gz FOUGUJIRSZXOKJ-UHFFFAOYSA-N 1 2 342.355 2.343 10 5 EEBELO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000573241339 319916999 /nfs/dbraw/zinc/91/69/99/319916999.db2.gz ARMRSAUPEUMCJP-UKRRQHHQSA-N 1 2 346.431 2.168 10 5 EEBELO O=C(C[N@@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152582318 462551447 /nfs/dbraw/zinc/55/14/47/462551447.db2.gz LOXLTUQRZQVXCV-AWEZNQCLSA-N 1 2 342.355 2.082 10 5 EEBELO O=C(C[N@H+]1CC[C@H](Oc2cccnc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152582318 462551452 /nfs/dbraw/zinc/55/14/52/462551452.db2.gz LOXLTUQRZQVXCV-AWEZNQCLSA-N 1 2 342.355 2.082 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000130941047 462783824 /nfs/dbraw/zinc/78/38/24/462783824.db2.gz BFAPYSFCBLTYDT-UHFFFAOYSA-N 1 2 342.359 2.254 10 5 EEBELO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1 ZINC000092075296 462925561 /nfs/dbraw/zinc/92/55/61/462925561.db2.gz JJEHYPXBIHKNNI-KRWDZBQOSA-N 1 2 341.367 2.364 10 5 EEBELO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1 ZINC000092075296 462925565 /nfs/dbraw/zinc/92/55/65/462925565.db2.gz JJEHYPXBIHKNNI-KRWDZBQOSA-N 1 2 341.367 2.364 10 5 EEBELO CNc1ccc(C[NH+]2CCN(Cc3cc(C)on3)CC2)cc1[N+](=O)[O-] ZINC000095982343 463125182 /nfs/dbraw/zinc/12/51/82/463125182.db2.gz CWACSTDVLWPZFY-UHFFFAOYSA-N 1 2 345.403 2.251 10 5 EEBELO Cc1noc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000125310383 463529063 /nfs/dbraw/zinc/52/90/63/463529063.db2.gz SRIHMZCKROXAIF-GQCTYLIASA-N 1 2 343.387 2.117 10 5 EEBELO Cc1cc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000058158149 463544892 /nfs/dbraw/zinc/54/48/92/463544892.db2.gz DNXQKPKZBXLYMM-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO COc1cc(CN2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])cc1OC ZINC000371677089 465936268 /nfs/dbraw/zinc/93/62/68/465936268.db2.gz QXOQZYABIOWYPS-UHFFFAOYSA-N 1 2 332.360 2.133 10 5 EEBELO CC(C)Oc1cc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000412191305 467035369 /nfs/dbraw/zinc/03/53/69/467035369.db2.gz ADHMRQYJHRMBFI-GFCCVEGCSA-N 1 2 344.371 2.392 10 5 EEBELO CC(C)Oc1cc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000412191305 467035373 /nfs/dbraw/zinc/03/53/73/467035373.db2.gz ADHMRQYJHRMBFI-GFCCVEGCSA-N 1 2 344.371 2.392 10 5 EEBELO CC1=C[C@H](C)C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430270214 467415480 /nfs/dbraw/zinc/41/54/80/467415480.db2.gz UMHBFMGRJXVGJW-JTQLQIEISA-N 1 2 333.344 2.160 10 5 EEBELO CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430270214 467415484 /nfs/dbraw/zinc/41/54/84/467415484.db2.gz UMHBFMGRJXVGJW-JTQLQIEISA-N 1 2 333.344 2.160 10 5 EEBELO COc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)nc1 ZINC000449764298 467711114 /nfs/dbraw/zinc/71/11/14/467711114.db2.gz AKDQSYJKIGZLBX-UHFFFAOYSA-N 1 2 346.362 2.460 10 5 EEBELO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(-c4ccoc4)no3)CC2)n1 ZINC000489037067 468116804 /nfs/dbraw/zinc/11/68/04/468116804.db2.gz IDVMGBDKJPNVOH-UHFFFAOYSA-N 1 2 344.331 2.271 10 5 EEBELO C[C@H]1CN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000601104787 468742441 /nfs/dbraw/zinc/74/24/41/468742441.db2.gz GVRXSGGPDGPBJY-NSHDSACASA-N 1 2 347.350 2.361 10 5 EEBELO CCOc1ccc([C@@H](C)[NH2+]Cc2nc(COC)n[nH]2)cc1[N+](=O)[O-] ZINC000595064770 468750804 /nfs/dbraw/zinc/75/08/04/468750804.db2.gz BBMGRLXMMAWNPK-SNVBAGLBSA-N 1 2 335.364 2.109 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595625788 468928819 /nfs/dbraw/zinc/92/88/19/468928819.db2.gz OHEAHRVEEGOHQS-SJKOYZFVSA-N 1 2 333.388 2.423 10 5 EEBELO 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CC(C)(C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000859693328 1294603886 /nfs/dbraw/zinc/60/38/86/1294603886.db2.gz XZXAQTSPOZTTSQ-UHFFFAOYSA-N 1 2 338.335 2.334 10 5 EEBELO C[C@H]1CSCC[N@@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480978 1338705919 /nfs/dbraw/zinc/70/59/19/1338705919.db2.gz WCMSIXNJBHWSCX-SWLSCSKDSA-N 1 2 335.429 2.306 10 5 EEBELO C[C@H]1CSCC[N@H+]1CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480978 1338705921 /nfs/dbraw/zinc/70/59/21/1338705921.db2.gz WCMSIXNJBHWSCX-SWLSCSKDSA-N 1 2 335.429 2.306 10 5 EEBELO CN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001356124516 1338794789 /nfs/dbraw/zinc/79/47/89/1338794789.db2.gz RGESSTSOBQRPSL-UHFFFAOYSA-N 1 2 328.250 2.415 10 5 EEBELO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001596957994 1349915421 /nfs/dbraw/zinc/91/54/21/1349915421.db2.gz JBEIDXJFRALTKW-UHFFFAOYSA-N 1 2 338.323 2.416 10 5 EEBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@@H]1n1cc[nH+]c1 ZINC001622808939 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O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)n2)c1 ZINC000054545731 214243751 /nfs/dbraw/zinc/24/37/51/214243751.db2.gz PEYYEXZEKYQKJS-HOTGVXAUSA-N 1 2 343.387 2.454 10 5 EEBELO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)n2)c1 ZINC000054545731 214243754 /nfs/dbraw/zinc/24/37/54/214243754.db2.gz PEYYEXZEKYQKJS-HOTGVXAUSA-N 1 2 343.387 2.454 10 5 EEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1ccccc1[N+](=O)[O-] ZINC000040555024 213349384 /nfs/dbraw/zinc/34/93/84/213349384.db2.gz KKBZKOCZDWBBGI-UHFFFAOYSA-N 1 2 338.327 2.497 10 5 EEBELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092096733 218118756 /nfs/dbraw/zinc/11/87/56/218118756.db2.gz ZULQQUOMNBPOBT-CQSZACIVSA-N 1 2 346.412 2.429 10 5 EEBELO CNC(=O)[C@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092096733 218118757 /nfs/dbraw/zinc/11/87/57/218118757.db2.gz ZULQQUOMNBPOBT-CQSZACIVSA-N 1 2 346.412 2.429 10 5 EEBELO O=[N+]([O-])c1cnc(N2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000267227502 285174655 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2.189 10 5 EEBELO Cc1c(Cl)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nn1C ZINC000421395241 314096016 /nfs/dbraw/zinc/09/60/16/314096016.db2.gz PXEIXUTUZMYPCN-UHFFFAOYSA-N 1 2 338.799 2.324 10 5 EEBELO COc1cc(C[NH+]2CCC(N3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000581437357 324254561 /nfs/dbraw/zinc/25/45/61/324254561.db2.gz JKLZQJZHNRSIDO-AWEZNQCLSA-N 1 2 349.431 2.289 10 5 EEBELO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000336787416 465044894 /nfs/dbraw/zinc/04/48/94/465044894.db2.gz DXIXRIIMKLKOKC-CQSZACIVSA-N 1 2 341.367 2.305 10 5 EEBELO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000336787416 465044900 /nfs/dbraw/zinc/04/49/00/465044900.db2.gz DXIXRIIMKLKOKC-CQSZACIVSA-N 1 2 341.367 2.305 10 5 EEBELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000105893204 463491566 /nfs/dbraw/zinc/49/15/66/463491566.db2.gz NZMPESKSHDKQRI-QGZVFWFLSA-N 1 2 330.388 2.309 10 5 EEBELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000105893204 463491571 /nfs/dbraw/zinc/49/15/71/463491571.db2.gz NZMPESKSHDKQRI-QGZVFWFLSA-N 1 2 330.388 2.309 10 5 EEBELO Cc1c(C(=O)NCc2cccnc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000044899554 463700387 /nfs/dbraw/zinc/70/03/87/463700387.db2.gz VJSCRYYHZJXMCM-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277162484 463894185 /nfs/dbraw/zinc/89/41/85/463894185.db2.gz QYRQDXJWJMELRI-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194754933 463922973 /nfs/dbraw/zinc/92/29/73/463922973.db2.gz LUYFRWYZFBNGEF-OKILXGFUSA-N 1 2 335.404 2.084 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194754933 463922976 /nfs/dbraw/zinc/92/29/76/463922976.db2.gz LUYFRWYZFBNGEF-OKILXGFUSA-N 1 2 335.404 2.084 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000175167968 464498792 /nfs/dbraw/zinc/49/87/92/464498792.db2.gz 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O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371175585 465630378 /nfs/dbraw/zinc/63/03/78/465630378.db2.gz LVXFZSRDHKGGFZ-UHFFFAOYSA-N 1 2 345.315 2.246 10 5 EEBELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302225218 466124190 /nfs/dbraw/zinc/12/41/90/466124190.db2.gz ONRQYXJGHJLXOL-LBPRGKRZSA-N 1 2 331.351 2.407 10 5 EEBELO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000361644273 466174368 /nfs/dbraw/zinc/17/43/68/466174368.db2.gz PKZITCMSUUPTNF-GUYCJALGSA-N 1 2 336.388 2.373 10 5 EEBELO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000361644273 466174375 /nfs/dbraw/zinc/17/43/75/466174375.db2.gz PKZITCMSUUPTNF-GUYCJALGSA-N 1 2 336.388 2.373 10 5 EEBELO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000600228502 468502161 /nfs/dbraw/zinc/50/21/61/468502161.db2.gz CCYFJWJGSXKRPW-CYBMUJFWSA-N 1 2 333.388 2.437 10 5 EEBELO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000600228502 468502164 /nfs/dbraw/zinc/50/21/64/468502164.db2.gz CCYFJWJGSXKRPW-CYBMUJFWSA-N 1 2 333.388 2.437 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000370327883 466837671 /nfs/dbraw/zinc/83/76/71/466837671.db2.gz SIUCQAJJDKGPST-LLVKDONJSA-N 1 2 332.335 2.385 10 5 EEBELO CN(CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000378080163 467193433 /nfs/dbraw/zinc/19/34/33/467193433.db2.gz SKNXNTJPAAAJTP-UHFFFAOYSA-N 1 2 343.387 2.160 10 5 EEBELO CN(CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000378080163 467193436 /nfs/dbraw/zinc/19/34/36/467193436.db2.gz SKNXNTJPAAAJTP-UHFFFAOYSA-N 1 2 343.387 2.160 10 5 EEBELO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378114185 467202231 /nfs/dbraw/zinc/20/22/31/467202231.db2.gz RJLLSOJNAIMGAJ-ZDUSSCGKSA-N 1 2 343.387 2.059 10 5 EEBELO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378114185 467202234 /nfs/dbraw/zinc/20/22/34/467202234.db2.gz RJLLSOJNAIMGAJ-ZDUSSCGKSA-N 1 2 343.387 2.059 10 5 EEBELO CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600247686 468507077 /nfs/dbraw/zinc/50/70/77/468507077.db2.gz XFLUSOVRCGDGLT-YVEFUNNKSA-N 1 2 342.355 2.078 10 5 EEBELO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc1 ZINC000583393854 468692443 /nfs/dbraw/zinc/69/24/43/468692443.db2.gz AEKDKBXJYFEKRV-UHFFFAOYSA-N 1 2 327.388 2.269 10 5 EEBELO C[C@@H]1CN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000601104786 468742919 /nfs/dbraw/zinc/74/29/19/468742919.db2.gz GVRXSGGPDGPBJY-LLVKDONJSA-N 1 2 347.350 2.361 10 5 EEBELO O=C(N1CC(n2cc[nH+]c2)C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601177320 468771774 /nfs/dbraw/zinc/77/17/74/468771774.db2.gz XSHNKBWPSJDKSO-UHFFFAOYSA-N 1 2 326.356 2.297 10 5 EEBELO COc1ccc(NC(=O)C[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595669759 468947156 /nfs/dbraw/zinc/94/71/56/468947156.db2.gz ZQWROUHVHFOXSY-SECBINFHSA-N 1 2 336.373 2.349 10 5 EEBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000598938983 469057125 /nfs/dbraw/zinc/05/71/25/469057125.db2.gz IOGNFZSRHVNPSJ-VIFPVBQESA-N 1 2 340.261 2.165 10 5 EEBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCc2ncccc2C1 ZINC000611008970 469138294 /nfs/dbraw/zinc/13/82/94/469138294.db2.gz BWTASJSFBQOCTH-UHFFFAOYSA-N 1 2 349.350 2.374 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000599180063 469151982 /nfs/dbraw/zinc/15/19/82/469151982.db2.gz IUMGMMVPBUKKLT-MAUKXSAKSA-N 1 2 347.415 2.406 10 5 EEBELO COc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000596426874 469261939 /nfs/dbraw/zinc/26/19/39/469261939.db2.gz CMEBKCDNYOVGIH-MNOVXSKESA-N 1 2 327.356 2.264 10 5 EEBELO COc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000596426874 469261945 /nfs/dbraw/zinc/26/19/45/469261945.db2.gz CMEBKCDNYOVGIH-MNOVXSKESA-N 1 2 327.356 2.264 10 5 EEBELO COC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)nc1 ZINC000599449479 469262741 /nfs/dbraw/zinc/26/27/41/469262741.db2.gz RVCIUXGNVCJGFX-UHFFFAOYSA-N 1 2 345.355 2.417 10 5 EEBELO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)nc1 ZINC000599449479 469262744 /nfs/dbraw/zinc/26/27/44/469262744.db2.gz RVCIUXGNVCJGFX-UHFFFAOYSA-N 1 2 345.355 2.417 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+]2CCOCC2)CC2CC2)n1 ZINC000596518892 469291496 /nfs/dbraw/zinc/29/14/96/469291496.db2.gz YQZBXSBCQNIPIM-UHFFFAOYSA-N 1 2 334.420 2.155 10 5 EEBELO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000596551385 469298664 /nfs/dbraw/zinc/29/86/64/469298664.db2.gz JTQSCHSWWJVTFZ-INIZCTEOSA-N 1 2 341.415 2.218 10 5 EEBELO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNc2cccnc2[N+](=O)[O-])C1 ZINC000596551385 469298667 /nfs/dbraw/zinc/29/86/67/469298667.db2.gz JTQSCHSWWJVTFZ-INIZCTEOSA-N 1 2 341.415 2.218 10 5 EEBELO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000616136219 469379065 /nfs/dbraw/zinc/37/90/65/469379065.db2.gz RDRCCNURQDQSPW-WCQYABFASA-N 1 2 340.351 2.327 10 5 EEBELO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000616136219 469379072 /nfs/dbraw/zinc/37/90/72/469379072.db2.gz RDRCCNURQDQSPW-WCQYABFASA-N 1 2 340.351 2.327 10 5 EEBELO Cc1nsc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000183370420 534509508 /nfs/dbraw/zinc/50/95/08/534509508.db2.gz NPFGYYQMLXNDAH-UHFFFAOYSA-N 1 2 333.417 2.385 10 5 EEBELO Cc1cccc(Cl)c1C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482595253 1187248968 /nfs/dbraw/zinc/24/89/68/1187248968.db2.gz LTSLWWDZCBKKMG-IUODEOHRSA-N 1 2 339.823 2.204 10 5 EEBELO Cc1cccc(Cl)c1C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482595253 1187248971 /nfs/dbraw/zinc/24/89/71/1187248971.db2.gz LTSLWWDZCBKKMG-IUODEOHRSA-N 1 2 339.823 2.204 10 5 EEBELO COCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc3ccccc32)CC1 ZINC000859353184 1294406337 /nfs/dbraw/zinc/40/63/37/1294406337.db2.gz BNIIJVPEGTVCCG-UHFFFAOYSA-N 1 2 343.383 2.152 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC001150594214 1316310082 /nfs/dbraw/zinc/31/00/82/1316310082.db2.gz YAWOFNAUUYZQSW-NHYWBVRUSA-N 1 2 329.360 2.218 10 5 EEBELO COC(=O)c1ccnc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC001162792700 1320959845 /nfs/dbraw/zinc/95/98/45/1320959845.db2.gz PTQVQOFJVXNDBM-UHFFFAOYSA-N 1 2 327.300 2.036 10 5 EEBELO CCc1[nH]c(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c[nH+]1 ZINC001639094263 1352694668 /nfs/dbraw/zinc/69/46/68/1352694668.db2.gz YXEOHGCKUFBYGD-UHFFFAOYSA-N 1 2 340.286 2.412 10 5 EEBELO CCc1[nH]cc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[nH+]1 ZINC001639094263 1352694672 /nfs/dbraw/zinc/69/46/72/1352694672.db2.gz YXEOHGCKUFBYGD-UHFFFAOYSA-N 1 2 340.286 2.412 10 5 EEBELO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001644647392 1352765107 /nfs/dbraw/zinc/76/51/07/1352765107.db2.gz OBPRUUTXTQYFMI-CQSZACIVSA-N 1 2 332.360 2.130 10 5 EEBELO CC(=O)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000846946155 790765077 /nfs/dbraw/zinc/76/50/77/790765077.db2.gz HIALNVMUFXLLAW-MRXNPFEDSA-N 1 2 331.372 2.001 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cn1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910780716 787043119 /nfs/dbraw/zinc/04/31/19/787043119.db2.gz KUZMCSRQWQUWBY-UHFFFAOYSA-N 1 2 338.367 2.090 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cn1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910780716 787043125 /nfs/dbraw/zinc/04/31/25/787043125.db2.gz KUZMCSRQWQUWBY-UHFFFAOYSA-N 1 2 338.367 2.090 10 5 EEBELO CC1(C)CC(=O)NCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001175382355 798091722 /nfs/dbraw/zinc/09/17/22/798091722.db2.gz OIWQNAXKTBSFFO-UHFFFAOYSA-N 1 2 344.371 2.350 10 5 EEBELO CC1(C)CC(=O)NCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001175382355 798091726 /nfs/dbraw/zinc/09/17/26/798091726.db2.gz OIWQNAXKTBSFFO-UHFFFAOYSA-N 1 2 344.371 2.350 10 5 EEBELO Nc1[nH+]ccc2c1CN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)CC2 ZINC001170259836 809850444 /nfs/dbraw/zinc/85/04/44/809850444.db2.gz XMCVRMWXTGUVEX-UHFFFAOYSA-N 1 2 337.339 2.252 10 5 EEBELO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccn(C)n1 ZINC001129743480 810987918 /nfs/dbraw/zinc/98/79/18/810987918.db2.gz GUFYPYDUCASAPB-LLVKDONJSA-N 1 2 340.343 2.005 10 5 EEBELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(-c3nc[nH]n3)no2)cc1[N+](=O)[O-] ZINC001473316738 1110574052 /nfs/dbraw/zinc/57/40/52/1110574052.db2.gz VWACPEVPJNQHNR-ZJUUUORDSA-N 1 2 343.347 2.483 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)n1 ZINC001535619234 1123589229 /nfs/dbraw/zinc/58/92/29/1123589229.db2.gz LXPZIJMEZFFAMP-INIZCTEOSA-N 1 2 326.356 2.215 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)n1 ZINC001535619234 1123589233 /nfs/dbraw/zinc/58/92/33/1123589233.db2.gz LXPZIJMEZFFAMP-INIZCTEOSA-N 1 2 326.356 2.215 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)n1 ZINC001537992721 1124018092 /nfs/dbraw/zinc/01/80/92/1124018092.db2.gz RQRIDXZCYNNBPQ-UHFFFAOYSA-N 1 2 329.360 2.052 10 5 EEBELO CN(C)c1[nH+]ccc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])ccc21 ZINC001544055233 1124138132 /nfs/dbraw/zinc/13/81/32/1124138132.db2.gz HAVLHZIXSIJAGP-UHFFFAOYSA-N 1 2 340.343 2.195 10 5 EEBELO CCc1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000183337395 529736842 /nfs/dbraw/zinc/73/68/42/529736842.db2.gz VYNGGHHSLRYYLP-UHFFFAOYSA-N 1 2 345.403 2.166 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC000191559251 256006153 /nfs/dbraw/zinc/00/61/53/256006153.db2.gz IHNGFVCPRHJDRT-UHFFFAOYSA-N 1 2 344.306 2.388 10 5 EEBELO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000054529656 132191613 /nfs/dbraw/zinc/19/16/13/132191613.db2.gz CUTOMHBQCPQHQD-UHFFFAOYSA-N 1 2 340.383 2.356 10 5 EEBELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1csc([N+](=O)[O-])c1 ZINC000194656938 160197869 /nfs/dbraw/zinc/19/78/69/160197869.db2.gz YZDMVWYCMSZKJP-UHFFFAOYSA-N 1 2 329.341 2.167 10 5 EEBELO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000355482708 163205115 /nfs/dbraw/zinc/20/51/15/163205115.db2.gz WKHJAMOULSOJNA-CQSZACIVSA-N 1 2 329.356 2.333 10 5 EEBELO COc1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280288353 269347650 /nfs/dbraw/zinc/34/76/50/269347650.db2.gz NXZPUNPYOWDXPF-QGZVFWFLSA-N 1 2 336.388 2.373 10 5 EEBELO COc1ccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280288353 269347651 /nfs/dbraw/zinc/34/76/51/269347651.db2.gz NXZPUNPYOWDXPF-QGZVFWFLSA-N 1 2 336.388 2.373 10 5 EEBELO C[NH+]1CCC2(CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC000375824375 289900735 /nfs/dbraw/zinc/90/07/35/289900735.db2.gz MHTAZAYBCWFVFZ-UHFFFAOYSA-N 1 2 333.388 2.248 10 5 EEBELO Cc1cc[nH+]cc1N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000337304949 465295341 /nfs/dbraw/zinc/29/53/41/465295341.db2.gz SNQRNZWWFXBMGV-UHFFFAOYSA-N 1 2 340.383 2.190 10 5 EEBELO O=[N+]([O-])c1cccnc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000089835011 462726716 /nfs/dbraw/zinc/72/67/16/462726716.db2.gz CNFYPUVKXVAZRI-DLBZAZTESA-N 1 2 340.383 2.079 10 5 EEBELO O=[N+]([O-])c1cccnc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000089835011 462726722 /nfs/dbraw/zinc/72/67/22/462726722.db2.gz CNFYPUVKXVAZRI-DLBZAZTESA-N 1 2 340.383 2.079 10 5 EEBELO Cc1cn2cc(Nc3nc4ccccn4c(=O)c3[N+](=O)[O-])ccc2[nH+]1 ZINC000071920522 463474691 /nfs/dbraw/zinc/47/46/91/463474691.db2.gz QRBIXNVKVPXKET-UHFFFAOYSA-N 1 2 336.311 2.302 10 5 EEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173311398 464236968 /nfs/dbraw/zinc/23/69/68/464236968.db2.gz DWTVNHATEZQPRY-SWLSCSKDSA-N 1 2 343.387 2.492 10 5 EEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173311398 464236973 /nfs/dbraw/zinc/23/69/73/464236973.db2.gz DWTVNHATEZQPRY-SWLSCSKDSA-N 1 2 343.387 2.492 10 5 EEBELO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000341065820 466556222 /nfs/dbraw/zinc/55/62/22/466556222.db2.gz VDTNAHOGGCSLAG-RYUDHWBXSA-N 1 2 345.403 2.464 10 5 EEBELO C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000376059753 466889417 /nfs/dbraw/zinc/88/94/17/466889417.db2.gz SNBRVRVSRHYOHC-XHDPSFHLSA-N 1 2 330.344 2.220 10 5 EEBELO COC(=O)c1cc(C)nc(N2CCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000376393852 466909825 /nfs/dbraw/zinc/90/98/25/466909825.db2.gz FPBQAGBNNISICV-NSHDSACASA-N 1 2 331.332 2.149 10 5 EEBELO C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449785305 467714442 /nfs/dbraw/zinc/71/44/42/467714442.db2.gz FMTOSPAHMVRUBH-CQSZACIVSA-N 1 2 345.399 2.353 10 5 EEBELO C[C@@H]1CN(CCO)CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449785305 467714448 /nfs/dbraw/zinc/71/44/48/467714448.db2.gz FMTOSPAHMVRUBH-CQSZACIVSA-N 1 2 345.399 2.353 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601978192 469124688 /nfs/dbraw/zinc/12/46/88/469124688.db2.gz VPCTYTPJFZNJAU-ZDUSSCGKSA-N 1 2 343.330 2.198 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601978192 469124690 /nfs/dbraw/zinc/12/46/90/469124690.db2.gz VPCTYTPJFZNJAU-ZDUSSCGKSA-N 1 2 343.330 2.198 10 5 EEBELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599654488 469325939 /nfs/dbraw/zinc/32/59/39/469325939.db2.gz MPKBOQILSDFRHY-LZWOXQAQSA-N 1 2 334.372 2.464 10 5 EEBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599654488 469325943 /nfs/dbraw/zinc/32/59/43/469325943.db2.gz MPKBOQILSDFRHY-LZWOXQAQSA-N 1 2 334.372 2.464 10 5 EEBELO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Br ZINC000756887030 577852461 /nfs/dbraw/zinc/85/24/61/577852461.db2.gz MMIBGIGZAWSOCU-KOLCDFICSA-N 1 2 345.197 2.012 10 5 EEBELO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Br ZINC000756887030 577852462 /nfs/dbraw/zinc/85/24/62/577852462.db2.gz MMIBGIGZAWSOCU-KOLCDFICSA-N 1 2 345.197 2.012 10 5 EEBELO C[N@@H+]1CCO[C@@H](CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000311395325 682570350 /nfs/dbraw/zinc/57/03/50/682570350.db2.gz DPIOYOYAJJYOJJ-VIFPVBQESA-N 1 2 330.182 2.100 10 5 EEBELO C[N@H+]1CCO[C@@H](CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000311395325 682570352 /nfs/dbraw/zinc/57/03/52/682570352.db2.gz DPIOYOYAJJYOJJ-VIFPVBQESA-N 1 2 330.182 2.100 10 5 EEBELO CCC1([NH+]2CCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000899558134 693791337 /nfs/dbraw/zinc/79/13/37/693791337.db2.gz BXSBAUCPJWGGEO-UHFFFAOYSA-N 1 2 333.388 2.391 10 5 EEBELO Cc1nc([C@@](C)([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000814670772 1199670719 /nfs/dbraw/zinc/67/07/19/1199670719.db2.gz FTCJVNTZUZALRX-HOCLYGCPSA-N 1 2 332.360 2.235 10 5 EEBELO CC(C)[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000812292774 1200643876 /nfs/dbraw/zinc/64/38/76/1200643876.db2.gz YJEAAXQGVATMHM-VIFPVBQESA-N 1 2 333.186 2.011 10 5 EEBELO CC(C)[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CCOC1 ZINC000812292774 1200643881 /nfs/dbraw/zinc/64/38/81/1200643881.db2.gz YJEAAXQGVATMHM-VIFPVBQESA-N 1 2 333.186 2.011 10 5 EEBELO CC(C)(C)OC(=O)N1CC(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000800368850 1234079086 /nfs/dbraw/zinc/07/90/86/1234079086.db2.gz BVKBUPQISKCRHR-UHFFFAOYSA-N 1 2 348.403 2.215 10 5 EEBELO CC(C)(C)OC(=O)N1CC(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000800368850 1234079088 /nfs/dbraw/zinc/07/90/88/1234079088.db2.gz BVKBUPQISKCRHR-UHFFFAOYSA-N 1 2 348.403 2.215 10 5 EEBELO CC(C)N1CC[NH+](CCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000901330493 1235555824 /nfs/dbraw/zinc/55/58/24/1235555824.db2.gz SGBGCPLXTKIWLH-OAHLLOKOSA-N 1 2 348.447 2.188 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(c2cnccn2)[C@H](C)C1 ZINC001198837177 1285357839 /nfs/dbraw/zinc/35/78/39/1285357839.db2.gz KPKKCURRODDGRU-CYBMUJFWSA-N 1 2 343.387 2.104 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(c2cnccn2)[C@H](C)C1 ZINC001198837177 1285357847 /nfs/dbraw/zinc/35/78/47/1285357847.db2.gz KPKKCURRODDGRU-CYBMUJFWSA-N 1 2 343.387 2.104 10 5 EEBELO Cc1c(C[NH2+]C(c2ccnn2C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000860076512 1294791393 /nfs/dbraw/zinc/79/13/93/1294791393.db2.gz GGBJPGYRLBKFAD-UHFFFAOYSA-N 1 2 340.387 2.249 10 5 EEBELO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839576072 1315216611 /nfs/dbraw/zinc/21/66/11/1315216611.db2.gz XRLCNXGCMSNYGK-NXEZZACHSA-N 1 2 341.795 2.420 10 5 EEBELO O=C(OCC1CCC(O)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001261234205 1322048883 /nfs/dbraw/zinc/04/88/83/1322048883.db2.gz YOKGUPVBNGFBGW-UHFFFAOYSA-N 1 2 345.355 2.488 10 5 EEBELO Cc1c[nH+]c2cc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)ccn12 ZINC001264991381 1322839666 /nfs/dbraw/zinc/83/96/66/1322839666.db2.gz IYCPVMAUPYIKKP-UHFFFAOYSA-N 1 2 340.339 2.360 10 5 EEBELO C[C@@H]1CSCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480972 1338705910 /nfs/dbraw/zinc/70/59/10/1338705910.db2.gz WCMSIXNJBHWSCX-DOMZBBRYSA-N 1 2 335.429 2.306 10 5 EEBELO C[C@@H]1CSCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480972 1338705915 /nfs/dbraw/zinc/70/59/15/1338705915.db2.gz WCMSIXNJBHWSCX-DOMZBBRYSA-N 1 2 335.429 2.306 10 5 EEBELO Cc1cn2cc(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001631716002 1352588150 /nfs/dbraw/zinc/58/81/50/1352588150.db2.gz HRZLIAFPKFPIMX-OAHLLOKOSA-N 1 2 326.312 2.223 10 5 EEBELO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844758435 789352403 /nfs/dbraw/zinc/35/24/03/789352403.db2.gz OHQGJWHEESZIDV-ZDUSSCGKSA-N 1 2 325.271 2.191 10 5 EEBELO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844758435 789352415 /nfs/dbraw/zinc/35/24/15/789352415.db2.gz OHQGJWHEESZIDV-ZDUSSCGKSA-N 1 2 325.271 2.191 10 5 EEBELO C/C(=C\C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000790127809 808453842 /nfs/dbraw/zinc/45/38/42/808453842.db2.gz NBZPIRJNPFNWDD-OKFGHLOFSA-N 1 2 347.415 2.177 10 5 EEBELO Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC001469396344 1110490458 /nfs/dbraw/zinc/49/04/58/1110490458.db2.gz UQAQATREJAMVMX-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC001517940137 1119048023 /nfs/dbraw/zinc/04/80/23/1119048023.db2.gz ABGALLMASAWLFM-UHFFFAOYSA-N 1 2 327.300 2.007 10 5 EEBELO CCc1ncc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cn1 ZINC001519915550 1119113591 /nfs/dbraw/zinc/11/35/91/1119113591.db2.gz CZYVOECRHSUJED-UHFFFAOYSA-N 1 2 338.327 2.385 10 5 EEBELO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC001535974587 1123633091 /nfs/dbraw/zinc/63/30/91/1123633091.db2.gz OMFJILFBNZEDME-VNQPRFMTSA-N 1 2 340.383 2.448 10 5 EEBELO O=C(N[C@H]1C[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001568074597 1124279322 /nfs/dbraw/zinc/27/93/22/1124279322.db2.gz XUPVGLZELXHLGY-CABCVRRESA-N 1 2 349.350 2.461 10 5 EEBELO CN(C)c1ccc(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000272896322 256247502 /nfs/dbraw/zinc/24/75/02/256247502.db2.gz YRTOVASLYQDBCJ-UHFFFAOYSA-N 1 2 342.402 2.264 10 5 EEBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359070789 164050662 /nfs/dbraw/zinc/05/06/62/164050662.db2.gz ZMRNUJPPYSGRTO-VIFPVBQESA-N 1 2 340.286 2.211 10 5 EEBELO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000364737102 165255371 /nfs/dbraw/zinc/25/53/71/165255371.db2.gz JCWNWBPMVCBPGS-MRXNPFEDSA-N 1 2 339.355 2.471 10 5 EEBELO CC(C)(C)OCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000574636671 320043431 /nfs/dbraw/zinc/04/34/31/320043431.db2.gz BTKJDIRLJVVXDS-UHFFFAOYSA-N 1 2 332.360 2.325 10 5 EEBELO O=[N+]([O-])c1cnccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000066796500 462931264 /nfs/dbraw/zinc/93/12/64/462931264.db2.gz YEIBCFQBZZQQMC-HNNXBMFYSA-N 1 2 328.372 2.303 10 5 EEBELO O=[N+]([O-])c1cnccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000066796500 462931271 /nfs/dbraw/zinc/93/12/71/462931271.db2.gz YEIBCFQBZZQQMC-HNNXBMFYSA-N 1 2 328.372 2.303 10 5 EEBELO O=C(NCCCCNc1cccc[nH+]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000353325673 465798124 /nfs/dbraw/zinc/79/81/24/465798124.db2.gz CRXLEXIFZYJMBK-UHFFFAOYSA-N 1 2 330.344 2.318 10 5 EEBELO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361413814 465975863 /nfs/dbraw/zinc/97/58/63/465975863.db2.gz FTTFFAAIXRIQOP-LBPRGKRZSA-N 1 2 327.768 2.032 10 5 EEBELO CC1(C)[C@@H](O)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000361413814 465975872 /nfs/dbraw/zinc/97/58/72/465975872.db2.gz FTTFFAAIXRIQOP-LBPRGKRZSA-N 1 2 327.768 2.032 10 5 EEBELO Cn1c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000601149117 468761489 /nfs/dbraw/zinc/76/14/89/468761489.db2.gz IUEOKULXBVUPNL-GOSISDBHSA-N 1 2 340.383 2.479 10 5 EEBELO C[C@@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601223665 468787478 /nfs/dbraw/zinc/78/74/78/468787478.db2.gz KHNWRGBPGDGOKB-NFAWXSAZSA-N 1 2 335.404 2.405 10 5 EEBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000562482430 468966983 /nfs/dbraw/zinc/96/69/83/468966983.db2.gz XPZSHKUQKXFASB-LLVKDONJSA-N 1 2 341.795 2.007 10 5 EEBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000562482430 468966987 /nfs/dbraw/zinc/96/69/87/468966987.db2.gz XPZSHKUQKXFASB-LLVKDONJSA-N 1 2 341.795 2.007 10 5 EEBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595755561 468990632 /nfs/dbraw/zinc/99/06/32/468990632.db2.gz OCLHJJBLOPSTDC-ZDUSSCGKSA-N 1 2 344.408 2.440 10 5 EEBELO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595755561 468990639 /nfs/dbraw/zinc/99/06/39/468990639.db2.gz OCLHJJBLOPSTDC-ZDUSSCGKSA-N 1 2 344.408 2.440 10 5 EEBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598941895 469058588 /nfs/dbraw/zinc/05/85/88/469058588.db2.gz HELUVUUFMAYZJQ-MNOVXSKESA-N 1 2 332.385 2.013 10 5 EEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975219 469122045 /nfs/dbraw/zinc/12/20/45/469122045.db2.gz MLEXCLVGVCYGOS-GXFFZTMASA-N 1 2 343.330 2.278 10 5 EEBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975219 469122052 /nfs/dbraw/zinc/12/20/52/469122052.db2.gz MLEXCLVGVCYGOS-GXFFZTMASA-N 1 2 343.330 2.278 10 5 EEBELO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599562995 469293135 /nfs/dbraw/zinc/29/31/35/469293135.db2.gz LOLGYTDGJGMGCU-AWEZNQCLSA-N 1 2 328.752 2.012 10 5 EEBELO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599562995 469293138 /nfs/dbraw/zinc/29/31/38/469293138.db2.gz LOLGYTDGJGMGCU-AWEZNQCLSA-N 1 2 328.752 2.012 10 5 EEBELO Nc1cc(NCc2ccccc2-n2cc[nH+]c2)cc(CO)c1[N+](=O)[O-] ZINC000615994407 469350006 /nfs/dbraw/zinc/35/00/06/469350006.db2.gz BPFRKIYPJKPSAV-UHFFFAOYSA-N 1 2 339.355 2.467 10 5 EEBELO O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000750308390 577990214 /nfs/dbraw/zinc/99/02/14/577990214.db2.gz AAEAJGXRJRAEPD-UHFFFAOYSA-N 1 2 338.323 2.461 10 5 EEBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000898484447 693331483 /nfs/dbraw/zinc/33/14/83/693331483.db2.gz SVPFVLGNDBHLAN-SNVBAGLBSA-N 1 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ZINC001649061451 1193501396 /nfs/dbraw/zinc/50/13/96/1193501396.db2.gz OCJXLZOXWDMTSK-UHFFFAOYSA-N 1 2 345.359 2.055 10 5 EEBELO C[NH+]1CCC(ONC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)CC1 ZINC000868088354 1201741026 /nfs/dbraw/zinc/74/10/26/1201741026.db2.gz AIDDEFUEPIGMNO-UHFFFAOYSA-N 1 2 333.388 2.159 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801566596 1235845970 /nfs/dbraw/zinc/84/59/70/1235845970.db2.gz CEBIXWGOBVVGMH-ZDUSSCGKSA-N 1 2 343.330 2.198 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801566596 1235845974 /nfs/dbraw/zinc/84/59/74/1235845974.db2.gz CEBIXWGOBVVGMH-ZDUSSCGKSA-N 1 2 343.330 2.198 10 5 EEBELO C[N@H+](Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2c1)C1CC1 ZINC000855470393 1293221849 /nfs/dbraw/zinc/22/18/49/1293221849.db2.gz GHCLIHVDZQJKBX-DGCLKSJQSA-N 1 2 346.412 2.494 10 5 EEBELO C[N@@H+](Cc1ccc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2c1)C1CC1 ZINC000855470393 1293221852 /nfs/dbraw/zinc/22/18/52/1293221852.db2.gz GHCLIHVDZQJKBX-DGCLKSJQSA-N 1 2 346.412 2.494 10 5 EEBELO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839603804 1315219184 /nfs/dbraw/zinc/21/91/84/1315219184.db2.gz HCLRTCUMVMDVPK-LBPRGKRZSA-N 1 2 327.768 2.032 10 5 EEBELO CC1(C)[C@@H](O)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839603804 1315219188 /nfs/dbraw/zinc/21/91/88/1315219188.db2.gz HCLRTCUMVMDVPK-LBPRGKRZSA-N 1 2 327.768 2.032 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCCC[C@@H]1CO ZINC001570867257 1343125773 /nfs/dbraw/zinc/12/57/73/1343125773.db2.gz ZRHPOEMPWBTXNT-CQSZACIVSA-N 1 2 344.371 2.158 10 5 EEBELO O=C(Nc1ccn2nccc2n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001584812396 1348764315 /nfs/dbraw/zinc/76/43/15/1348764315.db2.gz WCEIBDPMMRFUFP-UHFFFAOYSA-N 1 2 349.310 2.076 10 5 EEBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001628086244 1352520306 /nfs/dbraw/zinc/52/03/06/1352520306.db2.gz GOEFXCAZFZKLTN-CYBMUJFWSA-N 1 2 349.350 2.208 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ncccn1 ZINC001654633638 1354154440 /nfs/dbraw/zinc/15/44/40/1354154440.db2.gz NISQEIWPBVJMKQ-UHFFFAOYSA-N 1 2 329.360 2.154 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ncccn1 ZINC001654633638 1354154442 /nfs/dbraw/zinc/15/44/42/1354154442.db2.gz NISQEIWPBVJMKQ-UHFFFAOYSA-N 1 2 329.360 2.154 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@]12CCOC2 ZINC001176971304 798665986 /nfs/dbraw/zinc/66/59/86/798665986.db2.gz NALMWHMHNRRRAW-KRWDZBQOSA-N 1 2 333.388 2.487 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@]12CCOC2 ZINC001176971304 798665989 /nfs/dbraw/zinc/66/59/89/798665989.db2.gz NALMWHMHNRRRAW-KRWDZBQOSA-N 1 2 333.388 2.487 10 5 EEBELO Cc1nc(F)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000787082329 806988122 /nfs/dbraw/zinc/98/81/22/806988122.db2.gz CZLJXEVMHQJTMW-UHFFFAOYSA-N 1 2 331.351 2.155 10 5 EEBELO Cc1cnn(CCOC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000792202771 809651464 /nfs/dbraw/zinc/65/14/64/809651464.db2.gz GIQMTZKLYLZSRX-UHFFFAOYSA-N 1 2 341.327 2.142 10 5 EEBELO Cc1nccnc1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001438994808 1091671281 /nfs/dbraw/zinc/67/12/81/1091671281.db2.gz ISJFZPJPJIALBI-UHFFFAOYSA-N 1 2 338.327 2.156 10 5 EEBELO Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)cc[nH+]1 ZINC001537535532 1124008881 /nfs/dbraw/zinc/00/88/81/1124008881.db2.gz TYDKNPVUNNVSLO-UHFFFAOYSA-N 1 2 329.312 2.134 10 5 EEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1cccc([N+](=O)[O-])c1 ZINC000046099087 201105551 /nfs/dbraw/zinc/10/55/51/201105551.db2.gz WCBCFYINKAVEJJ-UHFFFAOYSA-N 1 2 338.327 2.497 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2CC(C)C)n1 ZINC000439160436 242065443 /nfs/dbraw/zinc/06/54/43/242065443.db2.gz ZJVAXEZDBNBNNG-UHFFFAOYSA-N 1 2 333.348 2.241 10 5 EEBELO CCOC(=O)c1noc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000459388197 245101570 /nfs/dbraw/zinc/10/15/70/245101570.db2.gz OJNURQDHNMJOHU-LBPRGKRZSA-N 1 2 334.332 2.395 10 5 EEBELO CNc1[nH+]cccc1Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000052733825 206083192 /nfs/dbraw/zinc/08/31/92/206083192.db2.gz ZYEWDFXBMZXNAR-UHFFFAOYSA-N 1 2 339.149 2.004 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cnccn1 ZINC000174648679 207042070 /nfs/dbraw/zinc/04/20/70/207042070.db2.gz RVQFBOXSUWJTFE-JTQLQIEISA-N 1 2 349.778 2.497 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cnccn1 ZINC000174648679 207042075 /nfs/dbraw/zinc/04/20/75/207042075.db2.gz RVQFBOXSUWJTFE-JTQLQIEISA-N 1 2 349.778 2.497 10 5 EEBELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000184658965 160013565 /nfs/dbraw/zinc/01/35/65/160013565.db2.gz NRSXNJJLWOYWCB-UHFFFAOYSA-N 1 2 342.355 2.094 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368112976 166053262 /nfs/dbraw/zinc/05/32/62/166053262.db2.gz NSLIBZLEBSQKPD-SECBINFHSA-N 1 2 331.332 2.006 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368112976 166053263 /nfs/dbraw/zinc/05/32/63/166053263.db2.gz NSLIBZLEBSQKPD-SECBINFHSA-N 1 2 331.332 2.006 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000374870499 167056178 /nfs/dbraw/zinc/05/61/78/167056178.db2.gz ZOUBPIOUFQUSDN-HNNXBMFYSA-N 1 2 346.774 2.430 10 5 EEBELO COC[C@@H]1CC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000293719255 293278386 /nfs/dbraw/zinc/27/83/86/293278386.db2.gz YJBRBQBODZGDMO-JTQLQIEISA-N 1 2 332.303 2.426 10 5 EEBELO COC[C@@H]1CC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000293719255 293278387 /nfs/dbraw/zinc/27/83/87/293278387.db2.gz YJBRBQBODZGDMO-JTQLQIEISA-N 1 2 332.303 2.426 10 5 EEBELO Cc1c(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1C ZINC000574634207 320042980 /nfs/dbraw/zinc/04/29/80/320042980.db2.gz OSQLCKTZVMSYQJ-UHFFFAOYSA-N 1 2 331.376 2.016 10 5 EEBELO Cc1c(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1C ZINC000574634207 320042983 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ZINC000361042843 465725759 /nfs/dbraw/zinc/72/57/59/465725759.db2.gz MWIYRZWRVYQVNC-UHFFFAOYSA-N 1 2 341.371 2.222 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000299691001 465857908 /nfs/dbraw/zinc/85/79/08/465857908.db2.gz ZIIYIVYIKMQRIF-UHFFFAOYSA-N 1 2 329.356 2.454 10 5 EEBELO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000353705818 466084404 /nfs/dbraw/zinc/08/44/04/466084404.db2.gz AYLBHVUNOPQZBM-CYBMUJFWSA-N 1 2 333.388 2.104 10 5 EEBELO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000353705818 466084411 /nfs/dbraw/zinc/08/44/11/466084411.db2.gz AYLBHVUNOPQZBM-CYBMUJFWSA-N 1 2 333.388 2.104 10 5 EEBELO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000428345092 467223994 /nfs/dbraw/zinc/22/39/94/467223994.db2.gz BOXCFBVCRGVUII-SNVBAGLBSA-N 1 2 325.328 2.017 10 5 EEBELO CC(C)C[C@@H](CO)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450726711 467897387 /nfs/dbraw/zinc/89/73/87/467897387.db2.gz WBPPUNYBPRMZOZ-AWEZNQCLSA-N 1 2 346.387 2.260 10 5 EEBELO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000532134269 468099278 /nfs/dbraw/zinc/09/92/78/468099278.db2.gz UXZINCCVAHHBBH-UHFFFAOYSA-N 1 2 329.360 2.161 10 5 EEBELO COc1cc(N[C@H](C)C[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596076828 469142911 /nfs/dbraw/zinc/14/29/11/469142911.db2.gz QFAVSSHKKZUNQU-SNVBAGLBSA-N 1 2 329.784 2.389 10 5 EEBELO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596308850 469239191 /nfs/dbraw/zinc/23/91/91/469239191.db2.gz WUJMEKOLYZTRDG-NSHDSACASA-N 1 2 341.433 2.283 10 5 EEBELO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596308850 469239195 /nfs/dbraw/zinc/23/91/95/469239195.db2.gz WUJMEKOLYZTRDG-NSHDSACASA-N 1 2 341.433 2.283 10 5 EEBELO COC[C@@H](CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)OC ZINC000596321410 469243735 /nfs/dbraw/zinc/24/37/35/469243735.db2.gz YMTKGDLSEKXSPW-OAHLLOKOSA-N 1 2 346.387 2.246 10 5 EEBELO C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000611820476 469329561 /nfs/dbraw/zinc/32/95/61/469329561.db2.gz OQCFYXFWONNDQZ-ZDUSSCGKSA-N 1 2 333.388 2.027 10 5 EEBELO COC(=O)C1C[C@@H](C)[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000599687562 469338396 /nfs/dbraw/zinc/33/83/96/469338396.db2.gz DCMJUHKJPFWOKL-VXGBXAGGSA-N 1 2 349.387 2.195 10 5 EEBELO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610032109 469975677 /nfs/dbraw/zinc/97/56/77/469975677.db2.gz BRYBBZNGSJTNGC-UHFFFAOYSA-N 1 2 332.341 2.352 10 5 EEBELO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451256831 536181880 /nfs/dbraw/zinc/18/18/80/536181880.db2.gz PKIAIGLTLSXTSD-YGRLFVJLSA-N 1 2 341.795 2.280 10 5 EEBELO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451256831 536181885 /nfs/dbraw/zinc/18/18/85/536181885.db2.gz PKIAIGLTLSXTSD-YGRLFVJLSA-N 1 2 341.795 2.280 10 5 EEBELO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C(F)(F)F ZINC000894986927 683457620 /nfs/dbraw/zinc/45/76/20/683457620.db2.gz WFHOULMNSMDSOV-ZYHUDNBSSA-N 1 2 331.294 2.371 10 5 EEBELO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)c1 ZINC000895070071 683691561 /nfs/dbraw/zinc/69/15/61/683691561.db2.gz BJEMTEMGIVTLEX-UHFFFAOYSA-N 1 2 328.372 2.382 10 5 EEBELO O=[N+]([O-])c1cccc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)c1 ZINC000895070071 683691565 /nfs/dbraw/zinc/69/15/65/683691565.db2.gz BJEMTEMGIVTLEX-UHFFFAOYSA-N 1 2 328.372 2.382 10 5 EEBELO Cc1nc([C@](C)([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000814670633 1199669885 /nfs/dbraw/zinc/66/98/85/1199669885.db2.gz BJFAOWMSEIWSRK-GDBMZVCRSA-N 1 2 332.360 2.235 10 5 EEBELO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000121846871 1201688503 /nfs/dbraw/zinc/68/85/03/1201688503.db2.gz RTFMIVQJNVDRHR-PHIMTYICSA-N 1 2 341.433 2.146 10 5 EEBELO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000121846871 1201688505 /nfs/dbraw/zinc/68/85/05/1201688505.db2.gz RTFMIVQJNVDRHR-PHIMTYICSA-N 1 2 341.433 2.146 10 5 EEBELO Cc1c[nH+]cc(C)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001616246464 1352326966 /nfs/dbraw/zinc/32/69/66/1352326966.db2.gz KCVPKCYVHRRNDZ-UHFFFAOYSA-N 1 2 330.300 2.497 10 5 EEBELO CSc1ccc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001569472406 1342877759 /nfs/dbraw/zinc/87/77/59/1342877759.db2.gz JETPJWSJCPZTEB-RYUDHWBXSA-N 1 2 339.392 2.185 10 5 EEBELO CSc1ccc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001569472406 1342877764 /nfs/dbraw/zinc/87/77/64/1342877764.db2.gz JETPJWSJCPZTEB-RYUDHWBXSA-N 1 2 339.392 2.185 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001597584326 1349928112 /nfs/dbraw/zinc/92/81/12/1349928112.db2.gz CYUKXHBYOWHGAC-UHFFFAOYSA-N 1 2 330.344 2.135 10 5 EEBELO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C[C@H]1n1cc[nH+]c1 ZINC001622808942 1352389464 /nfs/dbraw/zinc/38/94/64/1352389464.db2.gz BCTDRNWBPRRGHA-XHDPSFHLSA-N 1 2 329.360 2.097 10 5 EEBELO C/C(=C\C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000908360711 785356452 /nfs/dbraw/zinc/35/64/52/785356452.db2.gz UANZLQKVZQVAAH-WYMLVPIESA-N 1 2 347.415 2.225 10 5 EEBELO Cc1noc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)c1[N+](=O)[O-] ZINC001460518399 1110301761 /nfs/dbraw/zinc/30/17/61/1110301761.db2.gz QJPMVWIPPQUXAU-HNNXBMFYSA-N 1 2 332.360 2.280 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)c1 ZINC001468815358 1110480586 /nfs/dbraw/zinc/48/05/86/1110480586.db2.gz MPBURURRLZESEZ-UHFFFAOYSA-N 1 2 346.390 2.387 10 5 EEBELO O=[N+]([O-])c1cccc(-c2ncn(Cc3[nH+]ccn3CC(F)F)n2)c1 ZINC001472985753 1110569810 /nfs/dbraw/zinc/56/98/10/1110569810.db2.gz VPTOGKALXGFTQV-UHFFFAOYSA-N 1 2 334.286 2.363 10 5 EEBELO Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001568296374 1124410158 /nfs/dbraw/zinc/41/01/58/1124410158.db2.gz XESJLJZJEGXWKB-UHFFFAOYSA-N 1 2 339.311 2.442 10 5 EEBELO CN(C(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000070693710 203079971 /nfs/dbraw/zinc/07/99/71/203079971.db2.gz VGBNWCSZOULOLS-JKSUJKDBSA-N 1 2 333.388 2.201 10 5 EEBELO CN(C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000070693710 203079974 /nfs/dbraw/zinc/07/99/74/203079974.db2.gz VGBNWCSZOULOLS-JKSUJKDBSA-N 1 2 333.388 2.201 10 5 EEBELO C[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076064241 203333890 /nfs/dbraw/zinc/33/38/90/203333890.db2.gz DWKIGSGCWRPBDW-JTQLQIEISA-N 1 2 325.332 2.326 10 5 EEBELO CC(C)c1nc(C2([NH2+]CCn3cc([N+](=O)[O-])cn3)CCCC2)no1 ZINC000174878776 207068344 /nfs/dbraw/zinc/06/83/44/207068344.db2.gz QBGZAVDRCBMVPG-UHFFFAOYSA-N 1 2 334.380 2.357 10 5 EEBELO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000271072321 256205143 /nfs/dbraw/zinc/20/51/43/256205143.db2.gz FMUBNWRCPDJKKJ-VIFPVBQESA-N 1 2 330.287 2.191 10 5 EEBELO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000271072321 256205145 /nfs/dbraw/zinc/20/51/45/256205145.db2.gz FMUBNWRCPDJKKJ-VIFPVBQESA-N 1 2 330.287 2.191 10 5 EEBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000184681141 160014310 /nfs/dbraw/zinc/01/43/10/160014310.db2.gz UUQLSNKTMOPSAT-GDBMZVCRSA-N 1 2 349.431 2.000 10 5 EEBELO COc1cc(C[N@H+](C)CC(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000352770332 162281088 /nfs/dbraw/zinc/28/10/88/162281088.db2.gz RIMGDMZDBIJVQB-UHFFFAOYSA-N 1 2 343.383 2.352 10 5 EEBELO COc1cc(C[N@@H+](C)CC(=O)NCc2ccccc2)ccc1[N+](=O)[O-] ZINC000352770332 162281090 /nfs/dbraw/zinc/28/10/90/162281090.db2.gz RIMGDMZDBIJVQB-UHFFFAOYSA-N 1 2 343.383 2.352 10 5 EEBELO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367911175 166019547 /nfs/dbraw/zinc/01/95/47/166019547.db2.gz MMVPXZICPYJHHD-ZDUSSCGKSA-N 1 2 343.387 2.059 10 5 EEBELO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367911175 166019549 /nfs/dbraw/zinc/01/95/49/166019549.db2.gz MMVPXZICPYJHHD-ZDUSSCGKSA-N 1 2 343.387 2.059 10 5 EEBELO O=c1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289389123 275113001 /nfs/dbraw/zinc/11/30/01/275113001.db2.gz JVZYONYSFRMWSC-VIFPVBQESA-N 1 2 337.767 2.039 10 5 EEBELO O=c1nc([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)[nH][nH]1 ZINC000289389123 275113002 /nfs/dbraw/zinc/11/30/02/275113002.db2.gz JVZYONYSFRMWSC-VIFPVBQESA-N 1 2 337.767 2.039 10 5 EEBELO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436885695 315009465 /nfs/dbraw/zinc/00/94/65/315009465.db2.gz OSPRCXUCSXPCID-CQSZACIVSA-N 1 2 343.383 2.203 10 5 EEBELO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2nccn2C)CC1 ZINC000441305092 315180088 /nfs/dbraw/zinc/18/00/88/315180088.db2.gz QRUHXSKVINHYRF-AWEZNQCLSA-N 1 2 329.404 2.207 10 5 EEBELO Nc1ccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)cc1[N+](=O)[O-] ZINC000351399270 465141261 /nfs/dbraw/zinc/14/12/61/465141261.db2.gz ASWQANCYDDYEMO-UHFFFAOYSA-N 1 2 340.343 2.351 10 5 EEBELO Cc1cc[nH+]cc1N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000337288712 465287381 /nfs/dbraw/zinc/28/73/81/465287381.db2.gz NNMSYOGRACNSNV-UHFFFAOYSA-N 1 2 340.383 2.190 10 5 EEBELO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cn1 ZINC000078596653 463132005 /nfs/dbraw/zinc/13/20/05/463132005.db2.gz PYTFNMUHTAGXFD-INIZCTEOSA-N 1 2 328.372 2.475 10 5 EEBELO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]c(C4CC4)n3)C2)nc1 ZINC000127002548 463675687 /nfs/dbraw/zinc/67/56/87/463675687.db2.gz JHEHJNQZBIJNQN-GFCCVEGCSA-N 1 2 326.360 2.348 10 5 EEBELO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000183234673 464829926 /nfs/dbraw/zinc/82/99/26/464829926.db2.gz AXTNQKBNJLIRRT-HNNXBMFYSA-N 1 2 326.418 2.302 10 5 EEBELO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000183234673 464829930 /nfs/dbraw/zinc/82/99/30/464829930.db2.gz AXTNQKBNJLIRRT-HNNXBMFYSA-N 1 2 326.418 2.302 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000449527630 467657162 /nfs/dbraw/zinc/65/71/62/467657162.db2.gz JVWHYNFBSMCQSL-OAHLLOKOSA-N 1 2 326.418 2.302 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000449527630 467657166 /nfs/dbraw/zinc/65/71/66/467657166.db2.gz JVWHYNFBSMCQSL-OAHLLOKOSA-N 1 2 326.418 2.302 10 5 EEBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457857460 467718453 /nfs/dbraw/zinc/71/84/53/467718453.db2.gz MHGXZLPWYRZVPD-CQSZACIVSA-N 1 2 330.388 2.256 10 5 EEBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457889684 467724216 /nfs/dbraw/zinc/72/42/16/467724216.db2.gz UXLGZSTXJGGEEJ-LLVKDONJSA-N 1 2 334.401 2.168 10 5 EEBELO O=C(NCC1(CCO)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450175799 467793076 /nfs/dbraw/zinc/79/30/76/467793076.db2.gz XLNUBVMDXYGBPF-UHFFFAOYSA-N 1 2 344.371 2.063 10 5 EEBELO CCO[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600367396 468541164 /nfs/dbraw/zinc/54/11/64/468541164.db2.gz MVMABENDQKHSRB-ZBFHGGJFSA-N 1 2 330.344 2.078 10 5 EEBELO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597476357 468569158 /nfs/dbraw/zinc/56/91/58/468569158.db2.gz GIVLWVRSRLFWAL-NSHDSACASA-N 1 2 348.790 2.435 10 5 EEBELO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597476357 468569159 /nfs/dbraw/zinc/56/91/59/468569159.db2.gz GIVLWVRSRLFWAL-NSHDSACASA-N 1 2 348.790 2.435 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781074 469006328 /nfs/dbraw/zinc/00/63/28/469006328.db2.gz QQJPOAYKDVWJMW-NEPJUHHUSA-N 1 2 337.376 2.041 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781074 469006332 /nfs/dbraw/zinc/00/63/32/469006332.db2.gz QQJPOAYKDVWJMW-NEPJUHHUSA-N 1 2 337.376 2.041 10 5 EEBELO Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000598998765 469081631 /nfs/dbraw/zinc/08/16/31/469081631.db2.gz XFKZBIOLNADKAD-CYBMUJFWSA-N 1 2 326.356 2.251 10 5 EEBELO Nc1cc(NCc2ccc(N3CCCC3)[nH+]c2)cc(CO)c1[N+](=O)[O-] ZINC000611525303 469272420 /nfs/dbraw/zinc/27/24/20/469272420.db2.gz MOKQYFBATVEZEP-UHFFFAOYSA-N 1 2 343.387 2.277 10 5 EEBELO CN(C)c1c[nH+]ccc1NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000619808369 469684765 /nfs/dbraw/zinc/68/47/65/469684765.db2.gz IGBTVSZGQWGQNH-UHFFFAOYSA-N 1 2 329.360 2.142 10 5 EEBELO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)nc1 ZINC000761482655 577684685 /nfs/dbraw/zinc/68/46/85/577684685.db2.gz RKIOZMAHPVQHQS-UHFFFAOYSA-N 1 2 335.283 2.288 10 5 EEBELO Cc1nn(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000762185114 577696783 /nfs/dbraw/zinc/69/67/83/577696783.db2.gz WGSVAJFIEVYONH-CYBMUJFWSA-N 1 2 344.293 2.210 10 5 EEBELO Cc1nn(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000762185114 577696784 /nfs/dbraw/zinc/69/67/84/577696784.db2.gz WGSVAJFIEVYONH-CYBMUJFWSA-N 1 2 344.293 2.210 10 5 EEBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000898490584 693337037 /nfs/dbraw/zinc/33/70/37/693337037.db2.gz UMTBGQXJCMOABY-GFCCVEGCSA-N 1 2 334.351 2.240 10 5 EEBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000898490584 693337043 /nfs/dbraw/zinc/33/70/43/693337043.db2.gz UMTBGQXJCMOABY-GFCCVEGCSA-N 1 2 334.351 2.240 10 5 EEBELO COC(=O)c1ccnc(NC[C@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000866194075 1201461398 /nfs/dbraw/zinc/46/13/98/1201461398.db2.gz GKJRLUFGSUSHSH-AWEZNQCLSA-N 1 2 342.355 2.375 10 5 EEBELO COC(=O)c1ccnc(NC[C@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000866194075 1201461401 /nfs/dbraw/zinc/46/14/01/1201461401.db2.gz GKJRLUFGSUSHSH-AWEZNQCLSA-N 1 2 342.355 2.375 10 5 EEBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000881761198 1201753909 /nfs/dbraw/zinc/75/39/09/1201753909.db2.gz MRRLVDUKDOSBRQ-AWEZNQCLSA-N 1 2 333.388 2.098 10 5 EEBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000882186846 1201827636 /nfs/dbraw/zinc/82/76/36/1201827636.db2.gz AJCUZPRHMJZCKC-UHFFFAOYSA-N 1 2 341.371 2.222 10 5 EEBELO Cn1cc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c(Br)n1 ZINC000720661584 1217257463 /nfs/dbraw/zinc/25/74/63/1217257463.db2.gz ZSILDKSBQCSEDZ-UHFFFAOYSA-N 1 2 331.195 2.442 10 5 EEBELO C[C@@H](C(=O)O[C@@H]1CC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000802236679 1237149641 /nfs/dbraw/zinc/14/96/41/1237149641.db2.gz OVOMSVNJQXSOIR-ZYHUDNBSSA-N 1 2 328.315 2.424 10 5 EEBELO C[C@@H](C(=O)O[C@@H]1CC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000802236679 1237149642 /nfs/dbraw/zinc/14/96/42/1237149642.db2.gz OVOMSVNJQXSOIR-ZYHUDNBSSA-N 1 2 328.315 2.424 10 5 EEBELO O=C(N1CC[NH+](CCCF)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000862113681 1295703423 /nfs/dbraw/zinc/70/34/23/1295703423.db2.gz QZKOHAUKYYIAMM-UHFFFAOYSA-N 1 2 345.321 2.190 10 5 EEBELO Cc1[nH+]c[nH]c1CNC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001294283974 1328958478 /nfs/dbraw/zinc/95/84/78/1328958478.db2.gz QBMZOAQTNSHTJM-UHFFFAOYSA-N 1 2 325.328 2.292 10 5 EEBELO Cc1c(NC(=O)CC[N@@H+](C)Cc2ncccn2)cccc1[N+](=O)[O-] ZINC001560102834 1342507217 /nfs/dbraw/zinc/50/72/17/1342507217.db2.gz ZINOKUPFRQJMAM-UHFFFAOYSA-N 1 2 329.360 2.154 10 5 EEBELO Cc1c(NC(=O)CC[N@H+](C)Cc2ncccn2)cccc1[N+](=O)[O-] ZINC001560102834 1342507221 /nfs/dbraw/zinc/50/72/21/1342507221.db2.gz ZINOKUPFRQJMAM-UHFFFAOYSA-N 1 2 329.360 2.154 10 5 EEBELO Cc1nn(C)c(C)c1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001135948874 784847969 /nfs/dbraw/zinc/84/79/69/784847969.db2.gz ZGWUJSAULPYRHV-UHFFFAOYSA-N 1 2 340.343 2.383 10 5 EEBELO CC[C@@H](C)[C@@H](C(=O)OC)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001459307656 1110139027 /nfs/dbraw/zinc/13/90/27/1110139027.db2.gz AMFZVOPHESVVQZ-CJNGLKHVSA-N 1 2 335.404 2.305 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001460750121 1110323075 /nfs/dbraw/zinc/32/30/75/1110323075.db2.gz PZPJPNQXZBAUSV-LBPRGKRZSA-N 1 2 349.265 2.250 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001460750121 1110323076 /nfs/dbraw/zinc/32/30/76/1110323076.db2.gz PZPJPNQXZBAUSV-LBPRGKRZSA-N 1 2 349.265 2.250 10 5 EEBELO CC[C@H](C[N+](=O)[O-])OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001517179864 1119026669 /nfs/dbraw/zinc/02/66/69/1119026669.db2.gz RHSMQIGGNSFTIG-SECBINFHSA-N 1 2 327.287 2.221 10 5 EEBELO CC(C)n1cnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001527433413 1120792435 /nfs/dbraw/zinc/79/24/35/1120792435.db2.gz NVODWDYXMUFUEG-UHFFFAOYSA-N 1 2 341.331 2.205 10 5 EEBELO COc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177733791 207386794 /nfs/dbraw/zinc/38/67/94/207386794.db2.gz JLPHSOKEYSFYFA-CYBMUJFWSA-N 1 2 330.344 2.105 10 5 EEBELO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000110959924 142349896 /nfs/dbraw/zinc/34/98/96/142349896.db2.gz XOWXXGLYKCNYNN-MRXNPFEDSA-N 1 2 347.415 2.230 10 5 EEBELO COCCN1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000190787881 152223737 /nfs/dbraw/zinc/22/37/37/152223737.db2.gz GJAPCPCQUNYPCW-AWEZNQCLSA-N 1 2 335.404 2.145 10 5 EEBELO COCCN1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000190787881 152223739 /nfs/dbraw/zinc/22/37/39/152223739.db2.gz GJAPCPCQUNYPCW-AWEZNQCLSA-N 1 2 335.404 2.145 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245464024 160237326 /nfs/dbraw/zinc/23/73/26/160237326.db2.gz XRHMFLFWSBITOG-WBMJQRKESA-N 1 2 343.387 2.492 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245464024 160237327 /nfs/dbraw/zinc/23/73/27/160237327.db2.gz XRHMFLFWSBITOG-WBMJQRKESA-N 1 2 343.387 2.492 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000352554561 162184602 /nfs/dbraw/zinc/18/46/02/162184602.db2.gz GWAYUGMFRZBBHG-ZDUSSCGKSA-N 1 2 331.376 2.410 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)n1 ZINC000566832976 319324396 /nfs/dbraw/zinc/32/43/96/319324396.db2.gz ZLKIAFAIHGQJKA-UHFFFAOYSA-N 1 2 328.332 2.259 10 5 EEBELO Cc1ccc[nH+]c1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295681291 464926754 /nfs/dbraw/zinc/92/67/54/464926754.db2.gz HBYZUNLZJVWANW-UHFFFAOYSA-N 1 2 335.385 2.356 10 5 EEBELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccccc1[N+](=O)[O-] ZINC000114203219 462633625 /nfs/dbraw/zinc/63/36/25/462633625.db2.gz XPJNGSNKGWCTNB-CQSZACIVSA-N 1 2 329.360 2.484 10 5 EEBELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccccc1[N+](=O)[O-] ZINC000114203219 462633630 /nfs/dbraw/zinc/63/36/30/462633630.db2.gz XPJNGSNKGWCTNB-CQSZACIVSA-N 1 2 329.360 2.484 10 5 EEBELO COc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000131293919 462803157 /nfs/dbraw/zinc/80/31/57/462803157.db2.gz OADYVGWOTPNPOK-UHFFFAOYSA-N 1 2 332.360 2.386 10 5 EEBELO COc1ccnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000140371853 463341770 /nfs/dbraw/zinc/34/17/70/463341770.db2.gz SUKAZEDEHHEJQB-UHFFFAOYSA-N 1 2 343.387 2.024 10 5 EEBELO O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591081048 468404680 /nfs/dbraw/zinc/40/46/80/468404680.db2.gz LISDDTPJKDQYKC-VBNZEHGJSA-N 1 2 326.356 2.026 10 5 EEBELO CCn1c(C)nc([N+](=O)[O-])c1NCc1[nH+]ccn1CC(F)(F)F ZINC000360955197 465660518 /nfs/dbraw/zinc/66/05/18/465660518.db2.gz VGWOQQMCLNQGLK-UHFFFAOYSA-N 1 2 332.286 2.491 10 5 EEBELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000366404653 465706052 /nfs/dbraw/zinc/70/60/52/465706052.db2.gz FNSTVUCHHXZOPU-CQSZACIVSA-N 1 2 326.418 2.384 10 5 EEBELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000366404653 465706058 /nfs/dbraw/zinc/70/60/58/465706058.db2.gz FNSTVUCHHXZOPU-CQSZACIVSA-N 1 2 326.418 2.384 10 5 EEBELO C[N@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000346208705 465992048 /nfs/dbraw/zinc/99/20/48/465992048.db2.gz FLAHMILIYHVFFE-UHFFFAOYSA-N 1 2 329.356 2.162 10 5 EEBELO C[N@@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000346208705 465992052 /nfs/dbraw/zinc/99/20/52/465992052.db2.gz FLAHMILIYHVFFE-UHFFFAOYSA-N 1 2 329.356 2.162 10 5 EEBELO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000361518844 466066297 /nfs/dbraw/zinc/06/62/97/466066297.db2.gz LJUPJTDYMYBPFV-UHFFFAOYSA-N 1 2 347.371 2.238 10 5 EEBELO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000361518844 466066307 /nfs/dbraw/zinc/06/63/07/466066307.db2.gz LJUPJTDYMYBPFV-UHFFFAOYSA-N 1 2 347.371 2.238 10 5 EEBELO COCCN1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347409795 466618654 /nfs/dbraw/zinc/61/86/54/466618654.db2.gz JQHYARVJXIFCKX-PTNGSMBKSA-N 1 2 347.415 2.179 10 5 EEBELO COCCN1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347409795 466618660 /nfs/dbraw/zinc/61/86/60/466618660.db2.gz JQHYARVJXIFCKX-PTNGSMBKSA-N 1 2 347.415 2.179 10 5 EEBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)[C@@H](C)O1 ZINC000450999372 467223590 /nfs/dbraw/zinc/22/35/90/467223590.db2.gz CGTBFBOZFAHDJD-JHJVBQTASA-N 1 2 344.371 2.418 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000451039849 467233165 /nfs/dbraw/zinc/23/31/65/467233165.db2.gz IKQHWTPDYBXPCK-QGZVFWFLSA-N 1 2 332.356 2.306 10 5 EEBELO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)c1cscn1 ZINC000453578859 467498675 /nfs/dbraw/zinc/49/86/75/467498675.db2.gz VJAPSZVNHWHRRX-LBPRGKRZSA-N 1 2 346.412 2.398 10 5 EEBELO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)c1cscn1 ZINC000453578859 467498678 /nfs/dbraw/zinc/49/86/78/467498678.db2.gz VJAPSZVNHWHRRX-LBPRGKRZSA-N 1 2 346.412 2.398 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])CC2 ZINC000590038123 468208126 /nfs/dbraw/zinc/20/81/26/468208126.db2.gz FVMJMBXIDUIWNE-UHFFFAOYSA-N 1 2 328.372 2.420 10 5 EEBELO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597476355 468568987 /nfs/dbraw/zinc/56/89/87/468568987.db2.gz GIVLWVRSRLFWAL-LLVKDONJSA-N 1 2 348.790 2.435 10 5 EEBELO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597476355 468568988 /nfs/dbraw/zinc/56/89/88/468568988.db2.gz GIVLWVRSRLFWAL-LLVKDONJSA-N 1 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/nfs/dbraw/zinc/92/70/29/466927029.db2.gz FWCTTYQCAHGXAD-WBVHZDCISA-N 1 2 336.388 2.373 10 5 EEBELO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@]2(CCOC2)O1 ZINC000373809386 466927031 /nfs/dbraw/zinc/92/70/31/466927031.db2.gz FWCTTYQCAHGXAD-WBVHZDCISA-N 1 2 336.388 2.373 10 5 EEBELO Cc1cc(OCC(=O)NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000432048786 467211092 /nfs/dbraw/zinc/21/10/92/467211092.db2.gz LAAKUXFVOXICQL-UHFFFAOYSA-N 1 2 346.387 2.451 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC000457858743 467718649 /nfs/dbraw/zinc/71/86/49/467718649.db2.gz FPPFNWGLRSSRSA-UHFFFAOYSA-N 1 2 342.277 2.320 10 5 EEBELO CC[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000458519004 467849951 /nfs/dbraw/zinc/84/99/51/467849951.db2.gz TZZVBHRLTOMZAQ-OAHLLOKOSA-N 1 2 331.376 2.321 10 5 EEBELO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCCCCn1cc[nH+]c1 ZINC000515270587 467982139 /nfs/dbraw/zinc/98/21/39/467982139.db2.gz RBVVUXQWBQXFKO-UHFFFAOYSA-N 1 2 338.314 2.209 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)c2ccsc2)c1 ZINC000593025851 468844493 /nfs/dbraw/zinc/84/44/93/468844493.db2.gz SQNRRMWHHRSQMR-ZDUSSCGKSA-N 1 2 336.369 2.266 10 5 EEBELO CC1(C)OCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598453462 468871863 /nfs/dbraw/zinc/87/18/63/468871863.db2.gz BSDMKPMEMVDDFJ-CYBMUJFWSA-N 1 2 344.371 2.325 10 5 EEBELO Cc1noc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1[N+](=O)[O-] ZINC000595515268 468884813 /nfs/dbraw/zinc/88/48/13/468884813.db2.gz CZBFPEUYSMUJLD-BBRMVZONSA-N 1 2 335.335 2.191 10 5 EEBELO Cc1noc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1[N+](=O)[O-] ZINC000595515268 468884818 /nfs/dbraw/zinc/88/48/18/468884818.db2.gz CZBFPEUYSMUJLD-BBRMVZONSA-N 1 2 335.335 2.191 10 5 EEBELO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cscn1 ZINC000595668712 468946430 /nfs/dbraw/zinc/94/64/30/468946430.db2.gz OSTOBHCBAQOLHX-SNVBAGLBSA-N 1 2 332.385 2.291 10 5 EEBELO CCOc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802242729 1237156222 /nfs/dbraw/zinc/15/62/22/1237156222.db2.gz PBOPHFRYWYSYDD-GFCCVEGCSA-N 1 2 326.324 2.194 10 5 EEBELO CCOc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802242729 1237156224 /nfs/dbraw/zinc/15/62/24/1237156224.db2.gz PBOPHFRYWYSYDD-GFCCVEGCSA-N 1 2 326.324 2.194 10 5 EEBELO CC[C@@H](C[C@@H](C)O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001649147365 1278330794 /nfs/dbraw/zinc/33/07/94/1278330794.db2.gz NZRPACITKCSIST-YPMHNXCESA-N 1 2 332.360 2.060 10 5 EEBELO COC(=O)c1cc(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)no1 ZINC001197212042 1284501945 /nfs/dbraw/zinc/50/19/45/1284501945.db2.gz FMZYQHDCCDBPGG-UHFFFAOYSA-N 1 2 346.343 2.144 10 5 EEBELO COC(=O)[C@@H]1[C@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1(F)F ZINC001119507329 1309093474 /nfs/dbraw/zinc/09/34/74/1309093474.db2.gz DYRRRNWRFNRSHB-STQMWFEESA-N 1 2 326.299 2.007 10 5 EEBELO COC(=O)[C@@H]1[C@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1(F)F ZINC001119507329 1309093485 /nfs/dbraw/zinc/09/34/85/1309093485.db2.gz DYRRRNWRFNRSHB-STQMWFEESA-N 1 2 326.299 2.007 10 5 EEBELO COCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001317729729 1332391179 /nfs/dbraw/zinc/39/11/79/1332391179.db2.gz GQXGCWLTZBIXDA-IYBDPMFKSA-N 1 2 347.415 2.197 10 5 EEBELO COCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001317729729 1332391184 /nfs/dbraw/zinc/39/11/84/1332391184.db2.gz GQXGCWLTZBIXDA-IYBDPMFKSA-N 1 2 347.415 2.197 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@]12CCOC2 ZINC001560233052 1342509042 /nfs/dbraw/zinc/50/90/42/1342509042.db2.gz PVGYPVUPFRRJGM-KRWDZBQOSA-N 1 2 349.387 2.187 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@]12CCOC2 ZINC001560233052 1342509048 /nfs/dbraw/zinc/50/90/48/1342509048.db2.gz PVGYPVUPFRRJGM-KRWDZBQOSA-N 1 2 349.387 2.187 10 5 EEBELO CC[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC001564497313 1342549515 /nfs/dbraw/zinc/54/95/15/1342549515.db2.gz OOEPOZYDWXUTRR-WFASDCNBSA-N 1 2 329.360 2.167 10 5 EEBELO COc1ccc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC001607972311 1351595555 /nfs/dbraw/zinc/59/55/55/1351595555.db2.gz RZQASLMSBMSVBX-UHFFFAOYSA-N 1 2 344.371 2.421 10 5 EEBELO Cc1oncc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001645485011 1352778879 /nfs/dbraw/zinc/77/88/79/1352778879.db2.gz AHHLCAFEIMVWOD-UHFFFAOYSA-N 1 2 327.300 2.007 10 5 EEBELO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC001653259742 1354118683 /nfs/dbraw/zinc/11/86/83/1354118683.db2.gz ZGLTUTNGGKBCCI-AWEZNQCLSA-N 1 2 343.387 2.118 10 5 EEBELO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC[N+](=O)[O-])C1)c1ccccc1 ZINC001653259742 1354118686 /nfs/dbraw/zinc/11/86/86/1354118686.db2.gz ZGLTUTNGGKBCCI-AWEZNQCLSA-N 1 2 343.387 2.118 10 5 EEBELO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001654790607 1354158096 /nfs/dbraw/zinc/15/80/96/1354158096.db2.gz DYDFCCWRTLWDHM-SNVBAGLBSA-N 1 2 331.332 2.421 10 5 EEBELO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001654790607 1354158098 /nfs/dbraw/zinc/15/80/98/1354158098.db2.gz DYDFCCWRTLWDHM-SNVBAGLBSA-N 1 2 331.332 2.421 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2cnccn2)[C@H](C)C1 ZINC001177014995 798696189 /nfs/dbraw/zinc/69/61/89/798696189.db2.gz DQWHWBMTBWQGSP-CYBMUJFWSA-N 1 2 343.387 2.104 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2cnccn2)[C@H](C)C1 ZINC001177014995 798696194 /nfs/dbraw/zinc/69/61/94/798696194.db2.gz DQWHWBMTBWQGSP-CYBMUJFWSA-N 1 2 343.387 2.104 10 5 EEBELO C[C@H]1CN=C(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)S1 ZINC001451892182 1098013411 /nfs/dbraw/zinc/01/34/11/1098013411.db2.gz VFCFZJZGCHAFDM-VIFPVBQESA-N 1 2 331.357 2.002 10 5 EEBELO O=C(NCc1ccc2c[nH+]cn2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001524865245 1120236015 /nfs/dbraw/zinc/23/60/15/1120236015.db2.gz BRVWYULSCJDVEK-UHFFFAOYSA-N 1 2 336.311 2.049 10 5 EEBELO COC(=O)c1cc(C(=O)NCc2c[nH+]c(C)cc2C)cc([N+](=O)[O-])c1 ZINC001525400153 1120312772 /nfs/dbraw/zinc/31/27/72/1120312772.db2.gz SSMZTSXAVMIMRC-UHFFFAOYSA-N 1 2 343.339 2.323 10 5 EEBELO Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)cc[nH+]1 ZINC001527655701 1120842452 /nfs/dbraw/zinc/84/24/52/1120842452.db2.gz NCKLMCADJVGJGR-UHFFFAOYSA-N 1 2 341.302 2.297 10 5 EEBELO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451256828 243052757 /nfs/dbraw/zinc/05/27/57/243052757.db2.gz PKIAIGLTLSXTSD-HZMBPMFUSA-N 1 2 341.795 2.280 10 5 EEBELO CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451256828 243052761 /nfs/dbraw/zinc/05/27/61/243052761.db2.gz PKIAIGLTLSXTSD-HZMBPMFUSA-N 1 2 341.795 2.280 10 5 EEBELO COc1cc(C[NH+]2CC(CCO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459598241 245180421 /nfs/dbraw/zinc/18/04/21/245180421.db2.gz VXPPBZOCNOCIBS-UHFFFAOYSA-N 1 2 346.330 2.062 10 5 EEBELO CCOc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000153645837 140831598 /nfs/dbraw/zinc/83/15/98/140831598.db2.gz VTMBWKZGWSTVDO-GFCCVEGCSA-N 1 2 332.360 2.256 10 5 EEBELO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000195506765 160214516 /nfs/dbraw/zinc/21/45/16/160214516.db2.gz NJSLRSZSULJBMW-UHFFFAOYSA-N 1 2 329.360 2.136 10 5 EEBELO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357115040 163628543 /nfs/dbraw/zinc/62/85/43/163628543.db2.gz HJTMMHFTHHIYJV-UHFFFAOYSA-N 1 2 335.323 2.378 10 5 EEBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000359427529 164130723 /nfs/dbraw/zinc/13/07/23/164130723.db2.gz PNUCDDPOTXOANS-WDEREUQCSA-N 1 2 346.412 2.472 10 5 EEBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000359427529 164130724 /nfs/dbraw/zinc/13/07/24/164130724.db2.gz PNUCDDPOTXOANS-WDEREUQCSA-N 1 2 346.412 2.472 10 5 EEBELO C[C@H]1C[NH+]=C(N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)S1 ZINC000278549417 274370767 /nfs/dbraw/zinc/37/07/67/274370767.db2.gz VQQZDRWNHMBAOK-JTQLQIEISA-N 1 2 346.416 2.084 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000302102410 294929742 /nfs/dbraw/zinc/92/97/42/294929742.db2.gz QIBNNZQCBCMCOM-UHFFFAOYSA-N 1 2 342.355 2.103 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000185635689 304532581 /nfs/dbraw/zinc/53/25/81/304532581.db2.gz HHOHPXFGUFNNOJ-CQSZACIVSA-N 1 2 333.388 2.391 10 5 EEBELO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000425383870 314383316 /nfs/dbraw/zinc/38/33/16/314383316.db2.gz LYJALRLVUKQGCQ-INIZCTEOSA-N 1 2 346.431 2.116 10 5 EEBELO CN(c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000581468635 324258062 /nfs/dbraw/zinc/25/80/62/324258062.db2.gz OKUNTCKARGBZAY-UHFFFAOYSA-N 1 2 335.404 2.042 10 5 EEBELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000105893183 463492420 /nfs/dbraw/zinc/49/24/20/463492420.db2.gz LPTMHGNMXGFYDF-QGZVFWFLSA-N 1 2 330.388 2.309 10 5 EEBELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000105893183 463492425 /nfs/dbraw/zinc/49/24/25/463492425.db2.gz LPTMHGNMXGFYDF-QGZVFWFLSA-N 1 2 330.388 2.309 10 5 EEBELO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000182192879 464594497 /nfs/dbraw/zinc/59/44/97/464594497.db2.gz LPWVMDFHSBCRJK-CQSZACIVSA-N 1 2 325.796 2.155 10 5 EEBELO CNc1cc(N2CCC[C@@H]2CNc2cc(C)c([N+](=O)[O-])cn2)nc[nH+]1 ZINC000266841493 464840989 /nfs/dbraw/zinc/84/09/89/464840989.db2.gz MQYLJAGAPMPTQG-GFCCVEGCSA-N 1 2 343.391 2.211 10 5 EEBELO CNc1cc(N2CCC[C@@H]2CNc2cc(C)c([N+](=O)[O-])cn2)[nH+]cn1 ZINC000266841493 464840993 /nfs/dbraw/zinc/84/09/93/464840993.db2.gz MQYLJAGAPMPTQG-GFCCVEGCSA-N 1 2 343.391 2.211 10 5 EEBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298757966 465496642 /nfs/dbraw/zinc/49/66/42/465496642.db2.gz OITOGAUEAQKXDG-STQMWFEESA-N 1 2 326.418 2.412 10 5 EEBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298757966 465496647 /nfs/dbraw/zinc/49/66/47/465496647.db2.gz OITOGAUEAQKXDG-STQMWFEESA-N 1 2 326.418 2.412 10 5 EEBELO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357108658 465781062 /nfs/dbraw/zinc/78/10/62/465781062.db2.gz IJVPWGSPTNDHEH-UHFFFAOYSA-N 1 2 337.339 2.148 10 5 EEBELO Cc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301476752 465970929 /nfs/dbraw/zinc/97/09/29/465970929.db2.gz OTFFMOUWRUVVLJ-LBPRGKRZSA-N 1 2 325.796 2.468 10 5 EEBELO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000361644272 466173605 /nfs/dbraw/zinc/17/36/05/466173605.db2.gz PKZITCMSUUPTNF-DYVFJYSZSA-N 1 2 336.388 2.373 10 5 EEBELO COc1cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000361644272 466173609 /nfs/dbraw/zinc/17/36/09/466173609.db2.gz PKZITCMSUUPTNF-DYVFJYSZSA-N 1 2 336.388 2.373 10 5 EEBELO Cc1cn2c([nH+]1)CN(Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000374690482 466716199 /nfs/dbraw/zinc/71/61/99/466716199.db2.gz AFNHQEBSEUAQPR-UHFFFAOYSA-N 1 2 340.343 2.166 10 5 EEBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000378205486 467228440 /nfs/dbraw/zinc/22/84/40/467228440.db2.gz WREXWRFCZZQVTI-GFCCVEGCSA-N 1 2 341.371 2.180 10 5 EEBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000378205486 467228441 /nfs/dbraw/zinc/22/84/41/467228441.db2.gz WREXWRFCZZQVTI-GFCCVEGCSA-N 1 2 341.371 2.180 10 5 EEBELO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CC[C@H](O)CC1 ZINC000451021856 467228422 /nfs/dbraw/zinc/22/84/22/467228422.db2.gz BMBOSIREIHIEQB-HDJSIYSDSA-N 1 2 344.371 2.156 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000434245809 467384490 /nfs/dbraw/zinc/38/44/90/467384490.db2.gz NYILTVKIXQDCNH-UHFFFAOYSA-N 1 2 334.380 2.224 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(OC)nc2)c1 ZINC000589511318 468157905 /nfs/dbraw/zinc/15/79/05/468157905.db2.gz DLJYDRPYBXOMMM-UHFFFAOYSA-N 1 2 345.355 2.417 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(OC)nc2)c1 ZINC000589511318 468157909 /nfs/dbraw/zinc/15/79/09/468157909.db2.gz DLJYDRPYBXOMMM-UHFFFAOYSA-N 1 2 345.355 2.417 10 5 EEBELO COCCN(C)c1ccc(-c2cc([N+](=O)[O-])ccc2CCO)c[nH+]1 ZINC000600791735 468659372 /nfs/dbraw/zinc/65/93/72/468659372.db2.gz GFLVLIKOKCZBSH-UHFFFAOYSA-N 1 2 331.372 2.274 10 5 EEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625787 468928303 /nfs/dbraw/zinc/92/83/03/468928303.db2.gz OHEAHRVEEGOHQS-SJCJKPOMSA-N 1 2 333.388 2.423 10 5 EEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625787 468928307 /nfs/dbraw/zinc/92/83/07/468928307.db2.gz OHEAHRVEEGOHQS-SJCJKPOMSA-N 1 2 333.388 2.423 10 5 EEBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598942503 469059253 /nfs/dbraw/zinc/05/92/53/469059253.db2.gz BVGNUGYBRWSWSZ-SECBINFHSA-N 1 2 340.261 2.165 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3cc(C)cc[nH+]3)C2)n1 ZINC000599098942 469118882 /nfs/dbraw/zinc/11/88/82/469118882.db2.gz DOPVOCPJXHWBQZ-LBPRGKRZSA-N 1 2 342.355 2.474 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000599180062 469152132 /nfs/dbraw/zinc/15/21/32/469152132.db2.gz IUMGMMVPBUKKLT-CRAIPNDOSA-N 1 2 347.415 2.406 10 5 EEBELO O=C(NCCC1(CO)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000593878938 490675013 /nfs/dbraw/zinc/67/50/13/490675013.db2.gz ILROKBLNMKKVEH-UHFFFAOYSA-N 1 2 344.371 2.063 10 5 EEBELO COC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234554860 677760447 /nfs/dbraw/zinc/76/04/47/677760447.db2.gz HSYFMNLAFZNSPG-JTQLQIEISA-N 1 2 343.177 2.352 10 5 EEBELO COC(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000234554860 677760451 /nfs/dbraw/zinc/76/04/51/677760451.db2.gz HSYFMNLAFZNSPG-JTQLQIEISA-N 1 2 343.177 2.352 10 5 EEBELO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000899811716 693877597 /nfs/dbraw/zinc/87/75/97/693877597.db2.gz XRRZMAPLLCTQLI-LBPRGKRZSA-N 1 2 342.355 2.046 10 5 EEBELO COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1(F)F ZINC001119507327 1309093802 /nfs/dbraw/zinc/09/38/02/1309093802.db2.gz DYRRRNWRFNRSHB-OLZOCXBDSA-N 1 2 326.299 2.007 10 5 EEBELO COC(=O)[C@@H]1[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1(F)F ZINC001119507327 1309093812 /nfs/dbraw/zinc/09/38/12/1309093812.db2.gz DYRRRNWRFNRSHB-OLZOCXBDSA-N 1 2 326.299 2.007 10 5 EEBELO Cc1nn(C[N@@H+]2CCC[C@H]2COc2cccnc2C)cc1[N+](=O)[O-] ZINC000841691880 1315598377 /nfs/dbraw/zinc/59/83/77/1315598377.db2.gz SVUBZDTZMAOSGP-AWEZNQCLSA-N 1 2 331.376 2.304 10 5 EEBELO Cc1nn(C[N@H+]2CCC[C@H]2COc2cccnc2C)cc1[N+](=O)[O-] ZINC000841691880 1315598379 /nfs/dbraw/zinc/59/83/79/1315598379.db2.gz SVUBZDTZMAOSGP-AWEZNQCLSA-N 1 2 331.376 2.304 10 5 EEBELO C[NH+](C)Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)co1 ZINC001558567287 1342482878 /nfs/dbraw/zinc/48/28/78/1342482878.db2.gz NCRKFCMHXKBXEJ-UHFFFAOYSA-N 1 2 338.751 2.228 10 5 EEBELO CCc1[nH]c(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC001597251349 1349920873 /nfs/dbraw/zinc/92/08/73/1349920873.db2.gz RSZBEFAISASWFE-UHFFFAOYSA-N 1 2 332.360 2.274 10 5 EEBELO CCc1[nH]cc(CNC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])[nH+]1 ZINC001597251349 1349920875 /nfs/dbraw/zinc/92/08/75/1349920875.db2.gz RSZBEFAISASWFE-UHFFFAOYSA-N 1 2 332.360 2.274 10 5 EEBELO C[NH+](C)Cc1nc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)co1 ZINC001597858047 1349932300 /nfs/dbraw/zinc/93/23/00/1349932300.db2.gz JAJXQOMEFFLJSX-UHFFFAOYSA-N 1 2 343.343 2.056 10 5 EEBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001639819686 1352702024 /nfs/dbraw/zinc/70/20/24/1352702024.db2.gz OTHISWVEVYSTJX-LLVKDONJSA-N 1 2 334.763 2.118 10 5 EEBELO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCc3[nH+]c[nH]c3C2)cc1C ZINC001655539722 1354176750 /nfs/dbraw/zinc/17/67/50/1354176750.db2.gz BDTXPAGAJYVBAO-UHFFFAOYSA-N 1 2 330.344 2.366 10 5 EEBELO CCNc1cc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001686330735 1358380392 /nfs/dbraw/zinc/38/03/92/1358380392.db2.gz TXAVHKGZIQAWLB-UHFFFAOYSA-N 1 2 343.387 2.464 10 5 EEBELO COC(=O)[C@](C)(NCc1[nH]c(C)c(C)[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC001175140092 798012380 /nfs/dbraw/zinc/01/23/80/798012380.db2.gz KRWPLTMMUCCLAZ-MRXNPFEDSA-N 1 2 332.360 2.113 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001128407779 799278223 /nfs/dbraw/zinc/27/82/23/799278223.db2.gz LWDHSWNFUFFHKP-UHFFFAOYSA-N 1 2 334.332 2.295 10 5 EEBELO C/C(=C/C(=O)N[C@@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000804333249 803883143 /nfs/dbraw/zinc/88/31/43/803883143.db2.gz WQWOAFYULPIWBE-ICDLMJIXSA-N 1 2 326.356 2.326 10 5 EEBELO Cc1ncc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC001526922712 1120620893 /nfs/dbraw/zinc/62/08/93/1120620893.db2.gz FWMWQGREYWYNDT-UHFFFAOYSA-N 1 2 338.327 2.440 10 5 EEBELO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccnn1C ZINC000426517280 241302185 /nfs/dbraw/zinc/30/21/85/241302185.db2.gz SAKZDNREDOHCJP-ALCCZGGFSA-N 1 2 330.388 2.490 10 5 EEBELO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccnn1C ZINC000426517280 241302189 /nfs/dbraw/zinc/30/21/89/241302189.db2.gz SAKZDNREDOHCJP-ALCCZGGFSA-N 1 2 330.388 2.490 10 5 EEBELO C[C@H]1CCCC[N@@H+]1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271218464 256221753 /nfs/dbraw/zinc/22/17/53/256221753.db2.gz CEHPOEIPHHFLCA-JTQLQIEISA-N 1 2 347.462 2.346 10 5 EEBELO C[C@H]1CCCC[N@H+]1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271218464 256221754 /nfs/dbraw/zinc/22/17/54/256221754.db2.gz CEHPOEIPHHFLCA-JTQLQIEISA-N 1 2 347.462 2.346 10 5 EEBELO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000351971819 162008367 /nfs/dbraw/zinc/00/83/67/162008367.db2.gz XGHHYNPDQXPLJA-ZDUSSCGKSA-N 1 2 342.417 2.003 10 5 EEBELO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000351971819 162008373 /nfs/dbraw/zinc/00/83/73/162008373.db2.gz XGHHYNPDQXPLJA-ZDUSSCGKSA-N 1 2 342.417 2.003 10 5 EEBELO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000344778992 288019869 /nfs/dbraw/zinc/01/98/69/288019869.db2.gz SXIRVPZNFMRWNM-LBPRGKRZSA-N 1 2 333.388 2.247 10 5 EEBELO C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000344778992 288019871 /nfs/dbraw/zinc/01/98/71/288019871.db2.gz SXIRVPZNFMRWNM-LBPRGKRZSA-N 1 2 333.388 2.247 10 5 EEBELO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000334051515 312233782 /nfs/dbraw/zinc/23/37/82/312233782.db2.gz SSVKWMPDSJKRPQ-UPJWGTAASA-N 1 2 335.404 2.397 10 5 EEBELO COC(=O)[C@H](CC(C)C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000351845785 465395298 /nfs/dbraw/zinc/39/52/98/465395298.db2.gz WDAIIFJEKVVLKL-INIZCTEOSA-N 1 2 335.404 2.305 10 5 EEBELO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000154214577 462742152 /nfs/dbraw/zinc/74/21/52/462742152.db2.gz SVNDVHGETIRRMN-AWEZNQCLSA-N 1 2 329.356 2.333 10 5 EEBELO COc1ccc(CN2CCCC[C@H]2C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000109818965 463650800 /nfs/dbraw/zinc/65/08/00/463650800.db2.gz QLEZEJJDBKLBHS-INIZCTEOSA-N 1 2 349.431 2.290 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284622833 464265540 /nfs/dbraw/zinc/26/55/40/464265540.db2.gz URWADFBLOHEIMX-HUUCEWRRSA-N 1 2 347.415 2.065 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284622833 464265545 /nfs/dbraw/zinc/26/55/45/464265545.db2.gz URWADFBLOHEIMX-HUUCEWRRSA-N 1 2 347.415 2.065 10 5 EEBELO COc1ccc(OCC[N@@H+]2CCOC[C@H]2CC(F)F)c([N+](=O)[O-])c1 ZINC000286463221 464927254 /nfs/dbraw/zinc/92/72/54/464927254.db2.gz NFLAAGHWFKSMMZ-LLVKDONJSA-N 1 2 346.330 2.338 10 5 EEBELO COc1ccc(OCC[N@H+]2CCOC[C@H]2CC(F)F)c([N+](=O)[O-])c1 ZINC000286463221 464927260 /nfs/dbraw/zinc/92/72/60/464927260.db2.gz NFLAAGHWFKSMMZ-LLVKDONJSA-N 1 2 346.330 2.338 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000184139504 464951274 /nfs/dbraw/zinc/95/12/74/464951274.db2.gz WYSMAOOCLODQOL-QGZVFWFLSA-N 1 2 340.383 2.427 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000184139504 464951278 /nfs/dbraw/zinc/95/12/78/464951278.db2.gz WYSMAOOCLODQOL-QGZVFWFLSA-N 1 2 340.383 2.427 10 5 EEBELO COC(=O)c1cc(C)nc(NCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000295871000 464992709 /nfs/dbraw/zinc/99/27/09/464992709.db2.gz ZAPWKWBYBZUWTM-UHFFFAOYSA-N 1 2 330.344 2.443 10 5 EEBELO Cc1cc(N2CCC3(C2)OCCO3)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301240819 465928083 /nfs/dbraw/zinc/92/80/83/465928083.db2.gz OFLSWUOZJATAGX-UHFFFAOYSA-N 1 2 342.355 2.313 10 5 EEBELO CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361416162 465977432 /nfs/dbraw/zinc/97/74/32/465977432.db2.gz QLEIYHOWFBIDMX-LBPRGKRZSA-N 1 2 327.768 2.032 10 5 EEBELO CC1(C)[C@@H](O)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361416162 465977438 /nfs/dbraw/zinc/97/74/38/465977438.db2.gz QLEIYHOWFBIDMX-LBPRGKRZSA-N 1 2 327.768 2.032 10 5 EEBELO Cc1ccc(C[N@H+](CCO)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000361518646 466067253 /nfs/dbraw/zinc/06/72/53/466067253.db2.gz KPOUTIHFLBZULI-UHFFFAOYSA-N 1 2 330.344 2.367 10 5 EEBELO Cc1ccc(C[N@@H+](CCO)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000361518646 466067260 /nfs/dbraw/zinc/06/72/60/466067260.db2.gz KPOUTIHFLBZULI-UHFFFAOYSA-N 1 2 330.344 2.367 10 5 EEBELO CCOC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCCC1 ZINC000594046951 468471840 /nfs/dbraw/zinc/47/18/40/468471840.db2.gz IYDGIBJIAMXWQG-OAHLLOKOSA-N 1 2 338.408 2.283 10 5 EEBELO CC(C)Oc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1[N+](=O)[O-] ZINC000412191307 467035867 /nfs/dbraw/zinc/03/58/67/467035867.db2.gz ADHMRQYJHRMBFI-LBPRGKRZSA-N 1 2 344.371 2.392 10 5 EEBELO CC(C)Oc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000412191307 467035870 /nfs/dbraw/zinc/03/58/70/467035870.db2.gz ADHMRQYJHRMBFI-LBPRGKRZSA-N 1 2 344.371 2.392 10 5 EEBELO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCNc1cccc[nH+]1 ZINC000601100990 468741258 /nfs/dbraw/zinc/74/12/58/468741258.db2.gz SENPHKGDRUZNMW-UHFFFAOYSA-N 1 2 330.270 2.266 10 5 EEBELO COCc1cnc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148598 468761686 /nfs/dbraw/zinc/76/16/86/468761686.db2.gz DUCMAGSIDCPDKQ-HNNXBMFYSA-N 1 2 337.401 2.195 10 5 EEBELO CS(=O)(=O)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599068386 469105317 /nfs/dbraw/zinc/10/53/17/469105317.db2.gz OLANZULXBHXGLR-GFCCVEGCSA-N 1 2 335.385 2.156 10 5 EEBELO C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC000599075162 469109151 /nfs/dbraw/zinc/10/91/51/469109151.db2.gz YVODMGKSHKZJNZ-NSHDSACASA-N 1 2 335.385 2.156 10 5 EEBELO C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC000599075161 469109262 /nfs/dbraw/zinc/10/92/62/469109262.db2.gz YVODMGKSHKZJNZ-LLVKDONJSA-N 1 2 335.385 2.156 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000611893929 469341696 /nfs/dbraw/zinc/34/16/96/469341696.db2.gz IFAREQRCGVKTKT-UHFFFAOYSA-N 1 2 325.328 2.237 10 5 EEBELO Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)CC2 ZINC000599820923 469383770 /nfs/dbraw/zinc/38/37/70/469383770.db2.gz RFNYYJUMRFQMHQ-CYBMUJFWSA-N 1 2 328.372 2.287 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000612576551 469500684 /nfs/dbraw/zinc/50/06/84/469500684.db2.gz ZJDBHENTGCFLOB-UHFFFAOYSA-N 1 2 342.399 2.200 10 5 EEBELO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000608916044 469886163 /nfs/dbraw/zinc/88/61/63/469886163.db2.gz UMYJAEQLKJZEGD-UHFFFAOYSA-N 1 2 325.284 2.133 10 5 EEBELO CO[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451105484 536762327 /nfs/dbraw/zinc/76/23/27/536762327.db2.gz CJTTVPNCPRPPEP-OLZOCXBDSA-N 1 2 330.344 2.078 10 5 EEBELO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1CCC(=O)CC1 ZINC000813172535 1201141925 /nfs/dbraw/zinc/14/19/25/1201141925.db2.gz KAKRXQGHPMHSQO-KRWDZBQOSA-N 1 2 346.383 2.472 10 5 EEBELO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1CCC(=O)CC1 ZINC000813172535 1201141929 /nfs/dbraw/zinc/14/19/29/1201141929.db2.gz KAKRXQGHPMHSQO-KRWDZBQOSA-N 1 2 346.383 2.472 10 5 EEBELO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827544663 1248407602 /nfs/dbraw/zinc/40/76/02/1248407602.db2.gz HPWSIRKZMMFFPC-LBPRGKRZSA-N 1 2 340.811 2.436 10 5 EEBELO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000827544663 1248407607 /nfs/dbraw/zinc/40/76/07/1248407607.db2.gz HPWSIRKZMMFFPC-LBPRGKRZSA-N 1 2 340.811 2.436 10 5 EEBELO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1Br ZINC000852536821 1292130288 /nfs/dbraw/zinc/13/02/88/1292130288.db2.gz BCYJVBUDPXDANI-GXFFZTMASA-N 1 2 327.178 2.314 10 5 EEBELO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1Br ZINC000852536821 1292130281 /nfs/dbraw/zinc/13/02/81/1292130281.db2.gz BCYJVBUDPXDANI-GXFFZTMASA-N 1 2 327.178 2.314 10 5 EEBELO Cc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000857984502 1293979819 /nfs/dbraw/zinc/97/98/19/1293979819.db2.gz JAVZNVXZYXPMIQ-NSHDSACASA-N 1 2 345.315 2.191 10 5 EEBELO Cc1nn(C)c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1C ZINC001125138614 1314436747 /nfs/dbraw/zinc/43/67/47/1314436747.db2.gz RFXXYEBOZDHOPC-UHFFFAOYSA-N 1 2 340.343 2.383 10 5 EEBELO C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cnccn1 ZINC001358299928 1339039111 /nfs/dbraw/zinc/03/91/11/1339039111.db2.gz IZRPPHNJEJJCAJ-NSHDSACASA-N 1 2 339.311 2.489 10 5 EEBELO Nc1[nH+]ccc2c1CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001557841673 1342458322 /nfs/dbraw/zinc/45/83/22/1342458322.db2.gz OATLAIRFNNZZCQ-UHFFFAOYSA-N 1 2 344.346 2.229 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCCC[C@H]1CO ZINC001570867256 1343125761 /nfs/dbraw/zinc/12/57/61/1343125761.db2.gz ZRHPOEMPWBTXNT-AWEZNQCLSA-N 1 2 344.371 2.158 10 5 EEBELO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC001651360435 1354050320 /nfs/dbraw/zinc/05/03/20/1354050320.db2.gz AFLJIPHXHYEMJP-MRXNPFEDSA-N 1 2 344.346 2.103 10 5 EEBELO COc1c(C)c[nH+]c(Cn2nnc(-c3ccccc3[N+](=O)[O-])n2)c1C ZINC001653115119 1354113862 /nfs/dbraw/zinc/11/38/62/1354113862.db2.gz MDWYBJFHGGMEGS-UHFFFAOYSA-N 1 2 340.343 2.317 10 5 EEBELO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000817288770 784630284 /nfs/dbraw/zinc/63/02/84/784630284.db2.gz MKTFGRXHUDAGOP-MWLCHTKSSA-N 1 2 327.768 2.032 10 5 EEBELO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000817288770 784630287 /nfs/dbraw/zinc/63/02/87/784630287.db2.gz MKTFGRXHUDAGOP-MWLCHTKSSA-N 1 2 327.768 2.032 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000845287747 789712406 /nfs/dbraw/zinc/71/24/06/789712406.db2.gz ZYLGGRJQGFUUSA-NSHDSACASA-N 1 2 347.327 2.272 10 5 EEBELO CCn1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC001130703677 811944166 /nfs/dbraw/zinc/94/41/66/811944166.db2.gz OVQFFAKYXLPILO-UHFFFAOYSA-N 1 2 341.327 2.354 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468316701 1110472477 /nfs/dbraw/zinc/47/24/77/1110472477.db2.gz UPDJALDLILTVQW-ONGXEEELSA-N 1 2 327.743 2.116 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001468316701 1110472479 /nfs/dbraw/zinc/47/24/79/1110472479.db2.gz UPDJALDLILTVQW-ONGXEEELSA-N 1 2 327.743 2.116 10 5 EEBELO Cc1cc(N2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n[nH]1 ZINC000187262628 160097993 /nfs/dbraw/zinc/09/79/93/160097993.db2.gz PKQWXNJKDPWYLE-UHFFFAOYSA-N 1 2 342.359 2.090 10 5 EEBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000246265324 160271254 /nfs/dbraw/zinc/27/12/54/160271254.db2.gz LRXHCOPUPJIZLQ-UONOGXRCSA-N 1 2 335.385 2.158 10 5 EEBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000246265324 160271255 /nfs/dbraw/zinc/27/12/55/160271255.db2.gz LRXHCOPUPJIZLQ-UONOGXRCSA-N 1 2 335.385 2.158 10 5 EEBELO CCOc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1[N+](=O)[O-] ZINC000357952054 163798142 /nfs/dbraw/zinc/79/81/42/163798142.db2.gz DPFCGVRUOULJFY-UHFFFAOYSA-N 1 2 329.316 2.368 10 5 EEBELO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000375952491 167233050 /nfs/dbraw/zinc/23/30/50/167233050.db2.gz BUGCJPPCUZFDGI-HNNXBMFYSA-N 1 2 337.395 2.421 10 5 EEBELO CO[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000286157887 274842832 /nfs/dbraw/zinc/84/28/32/274842832.db2.gz YUERDQHUBAJGEZ-BETUJISGSA-N 1 2 330.344 2.030 10 5 EEBELO Cc1cn2c([nH+]1)CN(c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])CC2 ZINC000371703304 292852656 /nfs/dbraw/zinc/85/26/56/292852656.db2.gz KPPVBJGCSPANCA-UHFFFAOYSA-N 1 2 343.387 2.258 10 5 EEBELO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c(C(F)(F)F)c1 ZINC000301750093 294889775 /nfs/dbraw/zinc/88/97/75/294889775.db2.gz AMLJIUKOHYKIPL-NSHDSACASA-N 1 2 330.310 2.025 10 5 EEBELO Cn1c[nH+]c(CCNc2c(Br)cncc2[N+](=O)[O-])c1 ZINC000313473578 311587357 /nfs/dbraw/zinc/58/73/57/311587357.db2.gz UTQUEAUQRJTTSH-UHFFFAOYSA-N 1 2 326.154 2.140 10 5 EEBELO Cn1cc(Cl)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000420942491 314004946 /nfs/dbraw/zinc/00/49/46/314004946.db2.gz VQBRBUKYEQJYGJ-JTQLQIEISA-N 1 2 336.783 2.063 10 5 EEBELO Cn1cc(Cl)c(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000420942491 314004948 /nfs/dbraw/zinc/00/49/48/314004948.db2.gz VQBRBUKYEQJYGJ-JTQLQIEISA-N 1 2 336.783 2.063 10 5 EEBELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000194750868 463921771 /nfs/dbraw/zinc/92/17/71/463921771.db2.gz IFNJMUDAZWKYHA-HNNXBMFYSA-N 1 2 335.407 2.448 10 5 EEBELO C[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000194750868 463921774 /nfs/dbraw/zinc/92/17/74/463921774.db2.gz IFNJMUDAZWKYHA-HNNXBMFYSA-N 1 2 335.407 2.448 10 5 EEBELO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281499732 464480406 /nfs/dbraw/zinc/48/04/06/464480406.db2.gz UIVWGENBKMYPKO-HNNXBMFYSA-N 1 2 343.387 2.154 10 5 EEBELO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281499732 464480414 /nfs/dbraw/zinc/48/04/14/464480414.db2.gz UIVWGENBKMYPKO-HNNXBMFYSA-N 1 2 343.387 2.154 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000285280706 464509606 /nfs/dbraw/zinc/50/96/06/464509606.db2.gz TYUABSVDLRZMJO-JKSUJKDBSA-N 1 2 348.403 2.148 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285280706 464509610 /nfs/dbraw/zinc/50/96/10/464509610.db2.gz TYUABSVDLRZMJO-JKSUJKDBSA-N 1 2 348.403 2.148 10 5 EEBELO C[C@@H]1CCOCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000375005450 466764563 /nfs/dbraw/zinc/76/45/63/466764563.db2.gz OONKLGOAYBGFFY-GFCCVEGCSA-N 1 2 330.344 2.032 10 5 EEBELO CCC[C@H](C)[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000515858133 468006639 /nfs/dbraw/zinc/00/66/39/468006639.db2.gz KSWVHVAMAYJYEG-JSGCOSHPSA-N 1 2 346.387 2.307 10 5 EEBELO CN(C)c1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000559052028 468727399 /nfs/dbraw/zinc/72/73/99/468727399.db2.gz QLTHOWUJWXXTQC-UHFFFAOYSA-N 1 2 326.316 2.184 10 5 EEBELO CN(C)c1ccc(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c[nH+]1 ZINC000601103504 468741687 /nfs/dbraw/zinc/74/16/87/468741687.db2.gz AZXGNNVZHOJLIB-UHFFFAOYSA-N 1 2 344.297 2.420 10 5 EEBELO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cscn1 ZINC000595669237 468946807 /nfs/dbraw/zinc/94/68/07/468946807.db2.gz ULATXVCPEHPIDK-JTQLQIEISA-N 1 2 332.385 2.291 10 5 EEBELO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000601763023 469011104 /nfs/dbraw/zinc/01/11/04/469011104.db2.gz WYSZZKZOLDPQFF-WZRBSPASSA-N 1 2 330.344 2.076 10 5 EEBELO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000595851079 469044463 /nfs/dbraw/zinc/04/44/63/469044463.db2.gz VIPAXHDZILIMNO-BJHJDKERSA-N 1 2 346.343 2.028 10 5 EEBELO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000595851079 469044469 /nfs/dbraw/zinc/04/44/69/469044469.db2.gz VIPAXHDZILIMNO-BJHJDKERSA-N 1 2 346.343 2.028 10 5 EEBELO CSc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000587045628 469084826 /nfs/dbraw/zinc/08/48/26/469084826.db2.gz YHTFDLODGYMPHF-NSHDSACASA-N 1 2 332.385 2.258 10 5 EEBELO CNC(=O)NC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599086395 469113010 /nfs/dbraw/zinc/11/30/10/469113010.db2.gz LHJDMSSQHLXUTC-UHFFFAOYSA-N 1 2 329.360 2.041 10 5 EEBELO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c2c(c1)COCO2 ZINC000601972762 469119957 /nfs/dbraw/zinc/11/99/57/469119957.db2.gz OXDGVPXKXNKTBV-CYBMUJFWSA-N 1 2 344.314 2.317 10 5 EEBELO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c2c(c1)COCO2 ZINC000601972762 469119961 /nfs/dbraw/zinc/11/99/61/469119961.db2.gz OXDGVPXKXNKTBV-CYBMUJFWSA-N 1 2 344.314 2.317 10 5 EEBELO COC(=O)c1cnc(NC[C@@H]2c3ccccc3C[N@H+]2C)c([N+](=O)[O-])c1 ZINC000866195225 1201461526 /nfs/dbraw/zinc/46/15/26/1201461526.db2.gz PQFODTHJRYTSEZ-OAHLLOKOSA-N 1 2 342.355 2.375 10 5 EEBELO COC(=O)c1cnc(NC[C@@H]2c3ccccc3C[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000866195225 1201461527 /nfs/dbraw/zinc/46/15/27/1201461527.db2.gz PQFODTHJRYTSEZ-OAHLLOKOSA-N 1 2 342.355 2.375 10 5 EEBELO CC(=O)c1c(N(C)CC[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000882277619 1201846105 /nfs/dbraw/zinc/84/61/05/1201846105.db2.gz DHUKVNPDEOMVHJ-UHFFFAOYSA-N 1 2 335.404 2.344 10 5 EEBELO CC(=O)c1c(N(C)CC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000882277619 1201846106 /nfs/dbraw/zinc/84/61/06/1201846106.db2.gz DHUKVNPDEOMVHJ-UHFFFAOYSA-N 1 2 335.404 2.344 10 5 EEBELO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000857921984 1293953563 /nfs/dbraw/zinc/95/35/63/1293953563.db2.gz UCJPUHJPMPLSGM-SJKOYZFVSA-N 1 2 341.367 2.471 10 5 EEBELO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000857921984 1293953567 /nfs/dbraw/zinc/95/35/67/1293953567.db2.gz UCJPUHJPMPLSGM-SJKOYZFVSA-N 1 2 341.367 2.471 10 5 EEBELO CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000859664779 1294584001 /nfs/dbraw/zinc/58/40/01/1294584001.db2.gz HYNQCLKTALSCNA-CQSZACIVSA-N 1 2 326.324 2.046 10 5 EEBELO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863295192 1296205531 /nfs/dbraw/zinc/20/55/31/1296205531.db2.gz VDZYAGYEDVUHFB-MNOVXSKESA-N 1 2 335.385 2.430 10 5 EEBELO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863295192 1296205540 /nfs/dbraw/zinc/20/55/40/1296205540.db2.gz VDZYAGYEDVUHFB-MNOVXSKESA-N 1 2 335.385 2.430 10 5 EEBELO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@](O)(C(F)F)C3)c2)cc1 ZINC000840120386 1315300075 /nfs/dbraw/zinc/30/00/75/1315300075.db2.gz ZBXGVKVFKOWUEW-OAHLLOKOSA-N 1 2 338.314 2.118 10 5 EEBELO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@](O)(C(F)F)C3)c2)cc1 ZINC000840120386 1315300080 /nfs/dbraw/zinc/30/00/80/1315300080.db2.gz ZBXGVKVFKOWUEW-OAHLLOKOSA-N 1 2 338.314 2.118 10 5 EEBELO C[NH+](C)Cc1nc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])co1 ZINC001157168543 1318455897 /nfs/dbraw/zinc/45/58/97/1318455897.db2.gz SYDGKYDJPNNYHX-UHFFFAOYSA-N 1 2 338.751 2.228 10 5 EEBELO CCc1ccc(C(=O)NCc2coc(C[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC001597858031 1349932153 /nfs/dbraw/zinc/93/21/53/1349932153.db2.gz IEPOPMNWIPMWNN-UHFFFAOYSA-N 1 2 332.360 2.137 10 5 EEBELO O=C(NCCc1ccccn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001135379473 783673206 /nfs/dbraw/zinc/67/32/06/783673206.db2.gz CLTGUFSDJPUVJX-UHFFFAOYSA-N 1 2 337.339 2.148 10 5 EEBELO Cc1ncc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC001461688502 1110346590 /nfs/dbraw/zinc/34/65/90/1110346590.db2.gz UCCKNSQQZBETDM-UHFFFAOYSA-N 1 2 328.284 2.434 10 5 EEBELO Cc1[nH]c(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[nH+]c1C ZINC001472883237 1110565097 /nfs/dbraw/zinc/56/50/97/1110565097.db2.gz LAAAXFXEWDCBSI-UHFFFAOYSA-N 1 2 327.344 2.399 10 5 EEBELO C[C@@H]([NH2+][C@@H](C)c1nc(-c2nc[nH]n2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001473782982 1110580481 /nfs/dbraw/zinc/58/04/81/1110580481.db2.gz DCDLAOKYABBPDJ-BDAKNGLRSA-N 1 2 329.320 2.175 10 5 EEBELO Cc1cnn(C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000183333710 235014165 /nfs/dbraw/zinc/01/41/65/235014165.db2.gz FZHCDLHPCAOQOF-KRWDZBQOSA-N 1 2 330.388 2.309 10 5 EEBELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000183333710 235014169 /nfs/dbraw/zinc/01/41/69/235014169.db2.gz FZHCDLHPCAOQOF-KRWDZBQOSA-N 1 2 330.388 2.309 10 5 EEBELO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccccc1 ZINC000179224713 283131730 /nfs/dbraw/zinc/13/17/30/283131730.db2.gz FMCQXZGPODLZRO-YOEHRIQHSA-N 1 2 341.367 2.476 10 5 EEBELO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccccc1 ZINC000179224713 283131737 /nfs/dbraw/zinc/13/17/37/283131737.db2.gz FMCQXZGPODLZRO-YOEHRIQHSA-N 1 2 341.367 2.476 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(C1)CCCOC2 ZINC000451778628 243258735 /nfs/dbraw/zinc/25/87/35/243258735.db2.gz HDMFEBIAZFRUHU-UHFFFAOYSA-N 1 2 342.355 2.033 10 5 EEBELO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000279267467 269265095 /nfs/dbraw/zinc/26/50/95/269265095.db2.gz UXLHFDHCTDIZJW-UHFFFAOYSA-N 1 2 333.323 2.059 10 5 EEBELO O=c1[nH]ccc2c1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444705926 315318296 /nfs/dbraw/zinc/31/82/96/315318296.db2.gz NBEPSANYZYNQFR-UHFFFAOYSA-N 1 2 325.328 2.130 10 5 EEBELO O=c1[nH]ccc2c1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000444705926 315318299 /nfs/dbraw/zinc/31/82/99/315318299.db2.gz NBEPSANYZYNQFR-UHFFFAOYSA-N 1 2 325.328 2.130 10 5 EEBELO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000532397481 317863103 /nfs/dbraw/zinc/86/31/03/317863103.db2.gz TXRKMCZJLVWNEM-OAHLLOKOSA-N 1 2 337.339 2.243 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000131430363 462810872 /nfs/dbraw/zinc/81/08/72/462810872.db2.gz SVALEQYXYOSFFL-UHFFFAOYSA-N 1 2 332.360 2.386 10 5 EEBELO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000071920459 463474653 /nfs/dbraw/zinc/47/46/53/463474653.db2.gz RHVFPTVFZVTBNY-CYBMUJFWSA-N 1 2 332.360 2.060 10 5 EEBELO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000071920459 463474656 /nfs/dbraw/zinc/47/46/56/463474656.db2.gz RHVFPTVFZVTBNY-CYBMUJFWSA-N 1 2 332.360 2.060 10 5 EEBELO Cc1noc([C@H](C)N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000105864014 463480291 /nfs/dbraw/zinc/48/02/91/463480291.db2.gz DJMHNUBDNMMDRY-LBPRGKRZSA-N 1 2 331.376 2.165 10 5 EEBELO CC[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000191037316 464766520 /nfs/dbraw/zinc/76/65/20/464766520.db2.gz YLILPEDEEDTNSH-NSHDSACASA-N 1 2 344.297 2.385 10 5 EEBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000377813362 467144229 /nfs/dbraw/zinc/14/42/29/467144229.db2.gz FHHFGNIAKQJAHU-UHFFFAOYSA-N 1 2 333.388 2.391 10 5 EEBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[N@H+](C2CCCC2)CC1 ZINC000377813362 467144231 /nfs/dbraw/zinc/14/42/31/467144231.db2.gz FHHFGNIAKQJAHU-UHFFFAOYSA-N 1 2 333.388 2.391 10 5 EEBELO COC(=O)Cc1ccc(NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])c1 ZINC000450259695 467811204 /nfs/dbraw/zinc/81/12/04/467811204.db2.gz XQWDJWNZVPQZAZ-UHFFFAOYSA-N 1 2 344.371 2.383 10 5 EEBELO C[N@@H+]1CCO[C@H](CSc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591953689 468581421 /nfs/dbraw/zinc/58/14/21/468581421.db2.gz NJGRNKYHLUFRED-VIFPVBQESA-N 1 2 337.323 2.431 10 5 EEBELO C[N@H+]1CCO[C@H](CSc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591953689 468581425 /nfs/dbraw/zinc/58/14/25/468581425.db2.gz NJGRNKYHLUFRED-VIFPVBQESA-N 1 2 337.323 2.431 10 5 EEBELO CCCC[C@@](C)(CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592853922 468805466 /nfs/dbraw/zinc/80/54/66/468805466.db2.gz MAPPCAHNFMDWTG-KRWDZBQOSA-N 1 2 346.387 2.452 10 5 EEBELO CCOc1cc(C[NH+]2CCN(c3ncns3)CC2)ccc1[N+](=O)[O-] ZINC000595517603 468885429 /nfs/dbraw/zinc/88/54/29/468885429.db2.gz XBQZSZJMFIVZHK-UHFFFAOYSA-N 1 2 349.416 2.167 10 5 EEBELO O=C(N[C@H]1CCn2c[nH+]cc2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601648887 468950575 /nfs/dbraw/zinc/95/05/75/468950575.db2.gz LGQQDJYXPHSFNS-AWEZNQCLSA-N 1 2 340.383 2.344 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593483095 469000966 /nfs/dbraw/zinc/00/09/66/469000966.db2.gz ARTNSHJPRGWEDX-UHFFFAOYSA-N 1 2 334.351 2.445 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595825978 469030561 /nfs/dbraw/zinc/03/05/61/469030561.db2.gz IFHKPCZOJUBPQX-CYBMUJFWSA-N 1 2 340.811 2.436 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595825978 469030565 /nfs/dbraw/zinc/03/05/65/469030565.db2.gz IFHKPCZOJUBPQX-CYBMUJFWSA-N 1 2 340.811 2.436 10 5 EEBELO CN(C)C(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599011972 469087776 /nfs/dbraw/zinc/08/77/76/469087776.db2.gz DYQMVBYPKQVMQP-UHFFFAOYSA-N 1 2 328.372 2.448 10 5 EEBELO O=C(C1CC1)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599017228 469089627 /nfs/dbraw/zinc/08/96/27/469089627.db2.gz ZJESLPUTRAXWGN-UHFFFAOYSA-N 1 2 326.356 2.202 10 5 EEBELO CC(=O)NCC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599026648 469093141 /nfs/dbraw/zinc/09/31/41/469093141.db2.gz KHQKQYOXQKENQG-UHFFFAOYSA-N 1 2 328.372 2.496 10 5 EEBELO CS(=O)(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599058076 469102306 /nfs/dbraw/zinc/10/23/06/469102306.db2.gz QNZNOURZGMQLGT-UHFFFAOYSA-N 1 2 335.385 2.156 10 5 EEBELO CN1CCCC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1=O ZINC000601969750 469118091 /nfs/dbraw/zinc/11/80/91/469118091.db2.gz KUYIINFLOWNODR-ZDUSSCGKSA-N 1 2 332.360 2.179 10 5 EEBELO CN1CCCC[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1=O ZINC000601969750 469118095 /nfs/dbraw/zinc/11/80/95/469118095.db2.gz KUYIINFLOWNODR-ZDUSSCGKSA-N 1 2 332.360 2.179 10 5 EEBELO COC(=O)c1cnc(N2CC[C@H](c3cc(C)cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000599102824 469120584 /nfs/dbraw/zinc/12/05/84/469120584.db2.gz UZVFCPKVBMFOCE-LBPRGKRZSA-N 1 2 342.355 2.474 10 5 EEBELO CCn1nc(C)c([N+](=O)[O-])c1NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000599147452 469137010 /nfs/dbraw/zinc/13/70/10/469137010.db2.gz KMDGMNRDCPSVHQ-UHFFFAOYSA-N 1 2 347.423 2.865 10 5 EEBELO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599183355 469153141 /nfs/dbraw/zinc/15/31/41/469153141.db2.gz KPWOYUJBRHXIQK-HNNXBMFYSA-N 1 2 346.362 2.442 10 5 EEBELO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(F)c1 ZINC000599183355 469153146 /nfs/dbraw/zinc/15/31/46/469153146.db2.gz KPWOYUJBRHXIQK-HNNXBMFYSA-N 1 2 346.362 2.442 10 5 EEBELO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610032889 469976303 /nfs/dbraw/zinc/97/63/03/469976303.db2.gz SMZYWQUCNSGXOJ-UHFFFAOYSA-N 1 2 332.341 2.352 10 5 EEBELO COc1ccccc1C1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000592143370 490672258 /nfs/dbraw/zinc/67/22/58/490672258.db2.gz WKHAMBCTQHUQIK-UHFFFAOYSA-N 1 2 341.367 2.481 10 5 EEBELO Cc1cc(=O)[nH]c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000761887252 577691006 /nfs/dbraw/zinc/69/10/06/577691006.db2.gz MVEWCFABHVBFEM-UHFFFAOYSA-N 1 2 344.371 2.442 10 5 EEBELO Cc1ccc(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000869053601 1201929997 /nfs/dbraw/zinc/92/99/97/1201929997.db2.gz OUSQDDQLPFMQCH-CQSZACIVSA-N 1 2 343.387 2.336 10 5 EEBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000928546809 1206397897 /nfs/dbraw/zinc/39/78/97/1206397897.db2.gz LVVZLXWAQOVZGI-GFCCVEGCSA-N 1 2 330.344 2.032 10 5 EEBELO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000859558718 1294493500 /nfs/dbraw/zinc/49/35/00/1294493500.db2.gz QCBPTKBJEYGMKA-CQSZACIVSA-N 1 2 328.752 2.012 10 5 EEBELO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000859558718 1294493518 /nfs/dbraw/zinc/49/35/18/1294493518.db2.gz QCBPTKBJEYGMKA-CQSZACIVSA-N 1 2 328.752 2.012 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@](CO)(C(F)(F)F)C3)nc2c1 ZINC000886799411 1296743618 /nfs/dbraw/zinc/74/36/18/1296743618.db2.gz QMUWMFXLBONVIE-ZDUSSCGKSA-N 1 2 345.277 2.483 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@](CO)(C(F)(F)F)C3)nc2c1 ZINC000886799411 1296743630 /nfs/dbraw/zinc/74/36/30/1296743630.db2.gz QMUWMFXLBONVIE-ZDUSSCGKSA-N 1 2 345.277 2.483 10 5 EEBELO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001333206962 1335982747 /nfs/dbraw/zinc/98/27/47/1335982747.db2.gz FKDRDYLMYMHELV-LBPRGKRZSA-N 1 2 327.178 2.314 10 5 EEBELO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001333206962 1335982748 /nfs/dbraw/zinc/98/27/48/1335982748.db2.gz FKDRDYLMYMHELV-LBPRGKRZSA-N 1 2 327.178 2.314 10 5 EEBELO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001611466213 1352301078 /nfs/dbraw/zinc/30/10/78/1352301078.db2.gz BAYBZBIXRVSCCO-LLVKDONJSA-N 1 2 339.342 2.382 10 5 EEBELO C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001611466213 1352301082 /nfs/dbraw/zinc/30/10/82/1352301082.db2.gz BAYBZBIXRVSCCO-LLVKDONJSA-N 1 2 339.342 2.382 10 5 EEBELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001629926350 1352560780 /nfs/dbraw/zinc/56/07/80/1352560780.db2.gz HRLLQGXERBXERG-LBPRGKRZSA-N 1 2 343.387 2.005 10 5 EEBELO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001136367182 786431226 /nfs/dbraw/zinc/43/12/26/786431226.db2.gz KIZKBTSGZLRULH-MRXNPFEDSA-N 1 2 343.387 2.057 10 5 EEBELO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001136367182 786431231 /nfs/dbraw/zinc/43/12/31/786431231.db2.gz KIZKBTSGZLRULH-MRXNPFEDSA-N 1 2 343.387 2.057 10 5 EEBELO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136394445 786522294 /nfs/dbraw/zinc/52/22/94/786522294.db2.gz MAYYWDOQWZFGCS-AWEZNQCLSA-N 1 2 331.376 2.218 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000230118809 242233749 /nfs/dbraw/zinc/23/37/49/242233749.db2.gz FLCJJXOAGAQLIH-HZPDHXFCSA-N 1 2 343.387 2.454 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000230118809 242233751 /nfs/dbraw/zinc/23/37/51/242233751.db2.gz FLCJJXOAGAQLIH-HZPDHXFCSA-N 1 2 343.387 2.454 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000248775703 284215818 /nfs/dbraw/zinc/21/58/18/284215818.db2.gz BDEPXHLVKLHIFL-WWGRRREGSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000248775703 284215821 /nfs/dbraw/zinc/21/58/21/284215821.db2.gz BDEPXHLVKLHIFL-WWGRRREGSA-N 1 2 334.372 2.377 10 5 EEBELO O=C(c1csc([N+](=O)[O-])c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186392164 160069299 /nfs/dbraw/zinc/06/92/99/160069299.db2.gz XJOIOPPFAUOXRZ-UHFFFAOYSA-N 1 2 332.385 2.404 10 5 EEBELO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280867217 269395541 /nfs/dbraw/zinc/39/55/41/269395541.db2.gz XQZDSSAGNADJCM-UHFFFAOYSA-N 1 2 347.396 2.150 10 5 EEBELO O=C(NCC[N@H+]1CCc2sccc2C1)c1cccc(O)c1[N+](=O)[O-] ZINC000280867217 269395542 /nfs/dbraw/zinc/39/55/42/269395542.db2.gz XQZDSSAGNADJCM-UHFFFAOYSA-N 1 2 347.396 2.150 10 5 EEBELO Cc1cn2c([nH+]1)CN(c1ccc(C(=O)NC3CC3)cc1[N+](=O)[O-])CC2 ZINC000371705290 279003593 /nfs/dbraw/zinc/00/35/93/279003593.db2.gz BOZAIPNUHQDUFU-UHFFFAOYSA-N 1 2 341.371 2.012 10 5 EEBELO Cn1c[nH+]cc1Cc1nc(-c2ccc([N+](=O)[O-])c3c2CCCN3)no1 ZINC000351147964 312368436 /nfs/dbraw/zinc/36/84/36/312368436.db2.gz BWVMYKOSBVYPEJ-UHFFFAOYSA-N 1 2 340.343 2.327 10 5 EEBELO COc1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000439450908 315078549 /nfs/dbraw/zinc/07/85/49/315078549.db2.gz LAXZORCEHQXYBQ-HIFRSBDPSA-N 1 2 334.372 2.173 10 5 EEBELO COc1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000439450908 315078552 /nfs/dbraw/zinc/07/85/52/315078552.db2.gz LAXZORCEHQXYBQ-HIFRSBDPSA-N 1 2 334.372 2.173 10 5 EEBELO COc1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000444796867 315325368 /nfs/dbraw/zinc/32/53/68/315325368.db2.gz BYLXCVDDCINPRY-CYBMUJFWSA-N 1 2 342.417 2.003 10 5 EEBELO COc1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)ccc1[N+](=O)[O-] ZINC000444796867 315325370 /nfs/dbraw/zinc/32/53/70/315325370.db2.gz BYLXCVDDCINPRY-CYBMUJFWSA-N 1 2 342.417 2.003 10 5 EEBELO O=C(NC1(CF)CCOCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456050226 315682277 /nfs/dbraw/zinc/68/22/77/315682277.db2.gz OEEJJAYTFXVKGQ-UHFFFAOYSA-N 1 2 348.334 2.029 10 5 EEBELO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532392614 317862023 /nfs/dbraw/zinc/86/20/23/317862023.db2.gz AJARBTPHELKKCP-UHFFFAOYSA-N 1 2 343.265 2.021 10 5 EEBELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000063567111 462655309 /nfs/dbraw/zinc/65/53/09/462655309.db2.gz FRQYSADRQCUVDP-IAGOWNOFSA-N 1 2 345.399 2.127 10 5 EEBELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000063567111 462655312 /nfs/dbraw/zinc/65/53/12/462655312.db2.gz FRQYSADRQCUVDP-IAGOWNOFSA-N 1 2 345.399 2.127 10 5 EEBELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089884025 462733564 /nfs/dbraw/zinc/73/35/64/462733564.db2.gz RZUXRJBMCRXLRW-OAHLLOKOSA-N 1 2 344.371 2.302 10 5 EEBELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089884025 462733569 /nfs/dbraw/zinc/73/35/69/462733569.db2.gz RZUXRJBMCRXLRW-OAHLLOKOSA-N 1 2 344.371 2.302 10 5 EEBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000599907441 468411738 /nfs/dbraw/zinc/41/17/38/468411738.db2.gz PBLCQDDLWZHBJK-HNNXBMFYSA-N 1 2 342.399 2.363 10 5 EEBELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000249736377 464910714 /nfs/dbraw/zinc/91/07/14/464910714.db2.gz FRQYSADRQCUVDP-SJORKVTESA-N 1 2 345.399 2.127 10 5 EEBELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000249736377 464910718 /nfs/dbraw/zinc/91/07/18/464910718.db2.gz FRQYSADRQCUVDP-SJORKVTESA-N 1 2 345.399 2.127 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298757943 465495984 /nfs/dbraw/zinc/49/59/84/465495984.db2.gz OITOGAUEAQKXDG-CHWSQXEVSA-N 1 2 326.418 2.412 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298757943 465495991 /nfs/dbraw/zinc/49/59/91/465495991.db2.gz OITOGAUEAQKXDG-CHWSQXEVSA-N 1 2 326.418 2.412 10 5 EEBELO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000366195229 465587315 /nfs/dbraw/zinc/58/73/15/465587315.db2.gz LMGUBIAXYUHVQX-INIZCTEOSA-N 1 2 326.356 2.119 10 5 EEBELO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000366195229 465587320 /nfs/dbraw/zinc/58/73/20/465587320.db2.gz LMGUBIAXYUHVQX-INIZCTEOSA-N 1 2 326.356 2.119 10 5 EEBELO O=[N+]([O-])c1ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000301650666 466003930 /nfs/dbraw/zinc/00/39/30/466003930.db2.gz PXSASEUXBQFQAS-DLBZAZTESA-N 1 2 340.383 2.079 10 5 EEBELO O=[N+]([O-])c1ccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000301650666 466003934 /nfs/dbraw/zinc/00/39/34/466003934.db2.gz PXSASEUXBQFQAS-DLBZAZTESA-N 1 2 340.383 2.079 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000373978130 466989362 /nfs/dbraw/zinc/98/93/62/466989362.db2.gz QFIHWKABPNAUMT-PJODQICGSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000373978130 466989366 /nfs/dbraw/zinc/98/93/66/466989366.db2.gz QFIHWKABPNAUMT-PJODQICGSA-N 1 2 334.372 2.377 10 5 EEBELO CCn1cc[nH+]c1[C@@H](C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000450827807 467915244 /nfs/dbraw/zinc/91/52/44/467915244.db2.gz IVOFPXCJOPZWGR-SNVBAGLBSA-N 1 2 333.348 2.474 10 5 EEBELO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595088552 468756570 /nfs/dbraw/zinc/75/65/70/468756570.db2.gz JIYZIHHFHSGGIU-HRCADAONSA-N 1 2 342.399 2.311 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2nnc(C)s2)c1 ZINC000593023884 468842930 /nfs/dbraw/zinc/84/29/30/468842930.db2.gz FJQBVJXWMJWSKW-MRVPVSSYSA-N 1 2 336.373 2.392 10 5 EEBELO CCNC(=O)N1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599057401 469102803 /nfs/dbraw/zinc/10/28/03/469102803.db2.gz OIXICCRPHUFMGE-GFCCVEGCSA-N 1 2 329.360 2.359 10 5 EEBELO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000608842114 469882507 /nfs/dbraw/zinc/88/25/07/469882507.db2.gz HWFBVHMCQLMKMR-UHFFFAOYSA-N 1 2 329.360 2.407 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610032578 469975777 /nfs/dbraw/zinc/97/57/77/469975777.db2.gz KTCDREMVVLBDME-UHFFFAOYSA-N 1 2 332.341 2.352 10 5 EEBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000898502117 693350760 /nfs/dbraw/zinc/35/07/60/693350760.db2.gz ASQWMUOVERBKDU-CWRNSKLLSA-N 1 2 335.379 2.248 10 5 EEBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000898502117 693350765 /nfs/dbraw/zinc/35/07/65/693350765.db2.gz ASQWMUOVERBKDU-CWRNSKLLSA-N 1 2 335.379 2.248 10 5 EEBELO CCOc1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)c([N+](=O)[O-])cc1OC ZINC000857989091 1293981962 /nfs/dbraw/zinc/98/19/62/1293981962.db2.gz OPAGGIVALSOTOH-NSHDSACASA-N 1 2 346.343 2.073 10 5 EEBELO Nc1[nH+]ccc2c1CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CC2 ZINC001150701756 1316347786 /nfs/dbraw/zinc/34/77/86/1316347786.db2.gz PJVCLERTBAQQMW-UHFFFAOYSA-N 1 2 332.747 2.424 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)n1 ZINC001303306731 1331352072 /nfs/dbraw/zinc/35/20/72/1331352072.db2.gz QVCRMMDQYKSDEZ-MRXNPFEDSA-N 1 2 344.346 2.224 10 5 EEBELO C[C@H](C(=O)NCc1coc(C[NH+](C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC001558567655 1342482718 /nfs/dbraw/zinc/48/27/18/1342482718.db2.gz RRNKNQXFSQBBMB-NSHDSACASA-N 1 2 332.360 2.064 10 5 EEBELO COc1cc([N+](=O)[O-])cnc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001597920666 1349933655 /nfs/dbraw/zinc/93/36/55/1349933655.db2.gz ZZXWXHMQYLFQPX-UHFFFAOYSA-N 1 2 327.300 2.207 10 5 EEBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC001628193334 1352524601 /nfs/dbraw/zinc/52/46/01/1352524601.db2.gz BTWWNCMFCTVKJD-UHFFFAOYSA-N 1 2 347.758 2.476 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001652766087 1354102171 /nfs/dbraw/zinc/10/21/71/1354102171.db2.gz KNJDBPAPWUXBGF-UHFFFAOYSA-N 1 2 332.360 2.191 10 5 EEBELO CCCCC(=O)NCC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001660912736 1354559669 /nfs/dbraw/zinc/55/96/69/1354559669.db2.gz BMTNMOXPPPPMJV-UHFFFAOYSA-N 1 2 348.447 2.019 10 5 EEBELO CCCCC(=O)NCCN1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001660912736 1354559670 /nfs/dbraw/zinc/55/96/70/1354559670.db2.gz BMTNMOXPPPPMJV-UHFFFAOYSA-N 1 2 348.447 2.019 10 5 EEBELO CNc1cc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC001687863753 1358650838 /nfs/dbraw/zinc/65/08/38/1358650838.db2.gz NSAMTHGKVZTRMJ-UHFFFAOYSA-N 1 2 327.344 2.257 10 5 EEBELO Cc1cc(C)nc(C2C[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000905978863 783640697 /nfs/dbraw/zinc/64/06/97/783640697.db2.gz RNWVHQHSWRYFEO-MRXNPFEDSA-N 1 2 328.372 2.134 10 5 EEBELO CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000822571117 787272752 /nfs/dbraw/zinc/27/27/52/787272752.db2.gz VWOTVXPISKFLEZ-MRXNPFEDSA-N 1 2 346.431 2.116 10 5 EEBELO Cn1c[nH+]cc1CCC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913384779 788832195 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325.328 2.087 10 5 EEBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344241596 161210436 /nfs/dbraw/zinc/21/04/36/161210436.db2.gz BHRASPUEEBKAHL-SNVBAGLBSA-N 1 2 325.328 2.087 10 5 EEBELO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000344361036 161220539 /nfs/dbraw/zinc/22/05/39/161220539.db2.gz KPSHVGMVQFJGGK-SECBINFHSA-N 1 2 325.328 2.087 10 5 EEBELO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000344361036 161220540 /nfs/dbraw/zinc/22/05/40/161220540.db2.gz KPSHVGMVQFJGGK-SECBINFHSA-N 1 2 325.328 2.087 10 5 EEBELO O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000280702555 274588113 /nfs/dbraw/zinc/58/81/13/274588113.db2.gz FKBKFNSTRGZFRO-ZDUSSCGKSA-N 1 2 333.388 2.248 10 5 EEBELO CNC(=O)Cc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180406658 311461369 /nfs/dbraw/zinc/46/13/69/311461369.db2.gz HTYZSPALHVXTGJ-JTQLQIEISA-N 1 2 334.401 2.191 10 5 EEBELO 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C[C@]12COC[C@H]1C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000595757916 468991854 /nfs/dbraw/zinc/99/18/54/468991854.db2.gz LJDDSIZHUKNFCL-BMIGLBTASA-N 1 2 339.779 2.155 10 5 EEBELO Cc1cc(N[C@@H](CO)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596323853 469244306 /nfs/dbraw/zinc/24/43/06/469244306.db2.gz AOSKIMZWVISGIA-HNNXBMFYSA-N 1 2 328.372 2.355 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000619815320 469685680 /nfs/dbraw/zinc/68/56/80/469685680.db2.gz NNRAHWQGZLDPTC-NSHDSACASA-N 1 2 329.303 2.155 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000619815320 469685683 /nfs/dbraw/zinc/68/56/83/469685683.db2.gz NNRAHWQGZLDPTC-NSHDSACASA-N 1 2 329.303 2.155 10 5 EEBELO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C1(O)CCCC1 ZINC000905901644 1189962723 /nfs/dbraw/zinc/96/27/23/1189962723.db2.gz VVALNYRKTLTHSQ-AWEZNQCLSA-N 1 2 328.796 2.346 10 5 EEBELO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C1(O)CCCC1 ZINC000905901644 1189962726 /nfs/dbraw/zinc/96/27/26/1189962726.db2.gz VVALNYRKTLTHSQ-AWEZNQCLSA-N 1 2 328.796 2.346 10 5 EEBELO CO[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000870710040 1200828890 /nfs/dbraw/zinc/82/88/90/1200828890.db2.gz YLZBBYVOBKUKSH-OCCSQVGLSA-N 1 2 344.371 2.420 10 5 EEBELO C[C@H](C(=O)O[C@H]1CC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000802236677 1237149597 /nfs/dbraw/zinc/14/95/97/1237149597.db2.gz OVOMSVNJQXSOIR-JQWIXIFHSA-N 1 2 328.315 2.424 10 5 EEBELO C[C@H](C(=O)O[C@H]1CC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000802236677 1237149599 /nfs/dbraw/zinc/14/95/99/1237149599.db2.gz OVOMSVNJQXSOIR-JQWIXIFHSA-N 1 2 328.315 2.424 10 5 EEBELO Cc1[nH]c(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[nH+]c1C ZINC001149405092 1315959881 /nfs/dbraw/zinc/95/98/81/1315959881.db2.gz SESABVSWAZLKTN-UHFFFAOYSA-N 1 2 343.387 2.465 10 5 EEBELO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001615414393 1352324315 /nfs/dbraw/zinc/32/43/15/1352324315.db2.gz 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349.412 2.467 10 5 EEBELO COc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286229049 274850430 /nfs/dbraw/zinc/85/04/30/274850430.db2.gz DNWVTOKYFOQVGD-NEPJUHHUSA-N 1 2 339.367 2.042 10 5 EEBELO CNC(=O)Cc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180406678 311460974 /nfs/dbraw/zinc/46/09/74/311460974.db2.gz HTYZSPALHVXTGJ-SNVBAGLBSA-N 1 2 334.401 2.191 10 5 EEBELO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)nc(-c2cccnc2)[nH+]1 ZINC000152545237 462545259 /nfs/dbraw/zinc/54/52/59/462545259.db2.gz HKZNLIQNVJGOCU-UHFFFAOYSA-N 1 2 325.332 2.064 10 5 EEBELO CCCc1[nH]nc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1[N+](=O)[O-] ZINC000071890559 463457638 /nfs/dbraw/zinc/45/76/38/463457638.db2.gz RMWWZRJGXAIJRK-UHFFFAOYSA-N 1 2 328.332 2.479 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125949527 463592604 /nfs/dbraw/zinc/59/26/04/463592604.db2.gz IIJCBJOMPRUEGK-NHYWBVRUSA-N 1 2 329.360 2.218 10 5 EEBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@]4(CCOC4)C3)co2)cc1 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COC(=O)C(C)(C)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000428410585 467229613 /nfs/dbraw/zinc/22/96/13/467229613.db2.gz GBXOGMHYMRJUEU-SOFGYWHQSA-N 1 2 347.415 2.177 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@H](C2CC2)C1 ZINC000450757337 467903713 /nfs/dbraw/zinc/90/37/13/467903713.db2.gz MPSLGRQMKZKIRH-INIZCTEOSA-N 1 2 342.355 2.032 10 5 EEBELO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600441906 468560766 /nfs/dbraw/zinc/56/07/66/468560766.db2.gz CENKFOKGYUTCEZ-PVTKRXDGSA-N 1 2 344.371 2.322 10 5 EEBELO C[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601223667 468787492 /nfs/dbraw/zinc/78/74/92/468787492.db2.gz KHNWRGBPGDGOKB-VNHYZAJKSA-N 1 2 335.404 2.405 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595624524 468927404 /nfs/dbraw/zinc/92/74/04/468927404.db2.gz BWRRWQKWYVGARY-PXAZEXFGSA-N 1 2 333.388 2.423 10 5 EEBELO 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ZINC000596307895 469239201 /nfs/dbraw/zinc/23/92/01/469239201.db2.gz QJMWISCTTOIJAJ-VIFPVBQESA-N 1 2 347.462 2.345 10 5 EEBELO CC(C)(C)[N@H+]1CC[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596307895 469239202 /nfs/dbraw/zinc/23/92/02/469239202.db2.gz QJMWISCTTOIJAJ-VIFPVBQESA-N 1 2 347.462 2.345 10 5 EEBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCSCC1 ZINC000604383303 485647637 /nfs/dbraw/zinc/64/76/37/485647637.db2.gz WBSMPDRNSUHZEG-UHFFFAOYSA-N 1 2 332.385 2.360 10 5 EEBELO CC(C)(C)CC(=O)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749675431 577979692 /nfs/dbraw/zinc/97/96/92/577979692.db2.gz ZDKDVDITABYHRW-INIZCTEOSA-N 1 2 349.431 2.209 10 5 EEBELO CC[N@H+](CCNC(=O)c1ccsn1)Cc1csc([N+](=O)[O-])c1 ZINC001691025947 1176754592 /nfs/dbraw/zinc/75/45/92/1176754592.db2.gz LZDNUXOCAWQKQR-UHFFFAOYSA-N 1 2 340.430 2.365 10 5 EEBELO CC[N@@H+](CCNC(=O)c1ccsn1)Cc1csc([N+](=O)[O-])c1 ZINC001691025947 1176754597 /nfs/dbraw/zinc/75/45/97/1176754597.db2.gz LZDNUXOCAWQKQR-UHFFFAOYSA-N 1 2 340.430 2.365 10 5 EEBELO CC(=O)C1CC[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000872800207 1198392130 /nfs/dbraw/zinc/39/21/30/1198392130.db2.gz SOSTVXBMUBZGFN-UHFFFAOYSA-N 1 2 346.387 2.095 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000865928036 1198426911 /nfs/dbraw/zinc/42/69/11/1198426911.db2.gz OLPWYHASQWNDCW-GFCCVEGCSA-N 1 2 325.340 2.227 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000865928036 1198426915 /nfs/dbraw/zinc/42/69/15/1198426915.db2.gz OLPWYHASQWNDCW-GFCCVEGCSA-N 1 2 325.340 2.227 10 5 EEBELO O=[N+]([O-])c1ccnn1C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000800852916 1234678420 /nfs/dbraw/zinc/67/84/20/1234678420.db2.gz IVACVGKTCDVKIN-UHFFFAOYSA-N 1 2 345.378 2.415 10 5 EEBELO O=C(CC[N@@H+]1CCO[C@@H](C(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801559192 1235836111 /nfs/dbraw/zinc/83/61/11/1235836111.db2.gz FQRPEURLZXFKEA-GFCCVEGCSA-N 1 2 347.293 2.028 10 5 EEBELO O=C(CC[N@H+]1CCO[C@@H](C(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801559192 1235836113 /nfs/dbraw/zinc/83/61/13/1235836113.db2.gz FQRPEURLZXFKEA-GFCCVEGCSA-N 1 2 347.293 2.028 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](OC(F)F)C3)n2)cc1 ZINC000802748057 1238144645 /nfs/dbraw/zinc/14/46/45/1238144645.db2.gz YSIIRVNWIZADNE-LBPRGKRZSA-N 1 2 339.302 2.124 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CC[C@H](OC(F)F)C3)n2)cc1 ZINC000802748057 1238144648 /nfs/dbraw/zinc/14/46/48/1238144648.db2.gz YSIIRVNWIZADNE-LBPRGKRZSA-N 1 2 339.302 2.124 10 5 EEBELO CN1c2ccccc2C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000857888452 1293942876 /nfs/dbraw/zinc/94/28/76/1293942876.db2.gz ZBQRAIRFDVWHBJ-QGZVFWFLSA-N 1 2 341.367 2.107 10 5 EEBELO CN1c2ccccc2C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000857888452 1293942880 /nfs/dbraw/zinc/94/28/80/1293942880.db2.gz ZBQRAIRFDVWHBJ-QGZVFWFLSA-N 1 2 341.367 2.107 10 5 EEBELO O=[N+]([O-])c1ccc2nc(NC3CC([NH+]4CCOCC4)C3)sc2c1 ZINC000858599894 1294164588 /nfs/dbraw/zinc/16/45/88/1294164588.db2.gz NFIRPAQCQRRZMZ-UHFFFAOYSA-N 1 2 334.401 2.480 10 5 EEBELO Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C)[nH+]1 ZINC001319169522 1332660027 /nfs/dbraw/zinc/66/00/27/1332660027.db2.gz COPOOFWYSSLBLG-UHFFFAOYSA-N 1 2 341.776 2.483 10 5 EEBELO NC(=O)c1cc(NCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC001642169558 1352728505 /nfs/dbraw/zinc/72/85/05/1352728505.db2.gz SMPUYOAMVMXJJH-UHFFFAOYSA-N 1 2 337.339 2.492 10 5 EEBELO Nc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000823980626 788007617 /nfs/dbraw/zinc/00/76/17/788007617.db2.gz PODITBIAANTHRL-UHFFFAOYSA-N 1 2 330.348 2.312 10 5 EEBELO Nc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000823980626 788007626 /nfs/dbraw/zinc/00/76/26/788007626.db2.gz PODITBIAANTHRL-UHFFFAOYSA-N 1 2 330.348 2.312 10 5 EEBELO CNc1cc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc[nH+]1 ZINC001458623596 1109912556 /nfs/dbraw/zinc/91/25/56/1109912556.db2.gz UEZGHLWQCYGZFS-UHFFFAOYSA-N 1 2 342.402 2.109 10 5 EEBELO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC001460831261 1110325427 /nfs/dbraw/zinc/32/54/27/1110325427.db2.gz SBNQJESJCROCCG-LBPRGKRZSA-N 1 2 344.371 2.463 10 5 EEBELO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(=O)[nH]2)cccc1[N+](=O)[O-] ZINC001460831261 1110325428 /nfs/dbraw/zinc/32/54/28/1110325428.db2.gz SBNQJESJCROCCG-LBPRGKRZSA-N 1 2 344.371 2.463 10 5 EEBELO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367701550 283131154 /nfs/dbraw/zinc/13/11/54/283131154.db2.gz ZKHJQLDSLRIMEW-DOTOQJQBSA-N 1 2 341.367 2.476 10 5 EEBELO C[N@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367701550 283131156 /nfs/dbraw/zinc/13/11/56/283131156.db2.gz ZKHJQLDSLRIMEW-DOTOQJQBSA-N 1 2 341.367 2.476 10 5 EEBELO CN(C)c1[nH+]cccc1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000058876844 292149428 /nfs/dbraw/zinc/14/94/28/292149428.db2.gz NKBNSVSOJCNPIB-UHFFFAOYSA-N 1 2 344.371 2.141 10 5 EEBELO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000246337715 160274723 /nfs/dbraw/zinc/27/47/23/160274723.db2.gz FBFKBIHCUPVUPM-BLLLJJGKSA-N 1 2 339.823 2.401 10 5 EEBELO CNC(=O)Cc1nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000342279122 161053163 /nfs/dbraw/zinc/05/31/63/161053163.db2.gz KDFPACBWZRXBQP-SNVBAGLBSA-N 1 2 334.401 2.191 10 5 EEBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H](C2CC2)C1 ZINC000364505699 165164609 /nfs/dbraw/zinc/16/46/09/165164609.db2.gz OOYNCPBVCAXNTE-INIZCTEOSA-N 1 2 342.355 2.032 10 5 EEBELO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000414593731 313044879 /nfs/dbraw/zinc/04/48/79/313044879.db2.gz RGAUOJZLXXLYRK-YVEFUNNKSA-N 1 2 332.356 2.436 10 5 EEBELO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000414593731 313044880 /nfs/dbraw/zinc/04/48/80/313044880.db2.gz RGAUOJZLXXLYRK-YVEFUNNKSA-N 1 2 332.356 2.436 10 5 EEBELO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000047143227 462748572 /nfs/dbraw/zinc/74/85/72/462748572.db2.gz IADAVTXKGXVMBG-NSHDSACASA-N 1 2 331.376 2.075 10 5 EEBELO C[C@H]1CCCC[N@H+]1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000047143227 462748578 /nfs/dbraw/zinc/74/85/78/462748578.db2.gz IADAVTXKGXVMBG-NSHDSACASA-N 1 2 331.376 2.075 10 5 EEBELO CCc1nn(C)c(N2CC[C@@H](CNc3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000092829503 462984441 /nfs/dbraw/zinc/98/44/41/462984441.db2.gz MWTIWOXZMKXRAE-LBPRGKRZSA-N 1 2 330.392 2.224 10 5 EEBELO Cc1sc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000054629059 463250516 /nfs/dbraw/zinc/25/05/16/463250516.db2.gz HCWNAHBJBLSAMU-UHFFFAOYSA-N 1 2 343.368 2.475 10 5 EEBELO CCOc1ccnc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000106153314 463507213 /nfs/dbraw/zinc/50/72/13/463507213.db2.gz ZRIXUOVPTHCELI-UHFFFAOYSA-N 1 2 343.387 2.106 10 5 EEBELO Cc1cccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000044899348 463700027 /nfs/dbraw/zinc/70/00/27/463700027.db2.gz KFZOCNRRUWJJMA-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000185830530 463886981 /nfs/dbraw/zinc/88/69/81/463886981.db2.gz CFYHDPYDWXGIOO-OWBHPGMISA-N 1 2 347.415 2.225 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000185830530 463886989 /nfs/dbraw/zinc/88/69/89/463886989.db2.gz CFYHDPYDWXGIOO-OWBHPGMISA-N 1 2 347.415 2.225 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000184139521 464950309 /nfs/dbraw/zinc/95/03/09/464950309.db2.gz WYSMAOOCLODQOL-KRWDZBQOSA-N 1 2 340.383 2.427 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000184139521 464950314 /nfs/dbraw/zinc/95/03/14/464950314.db2.gz WYSMAOOCLODQOL-KRWDZBQOSA-N 1 2 340.383 2.427 10 5 EEBELO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000340660687 466247685 /nfs/dbraw/zinc/24/76/85/466247685.db2.gz GZZKOTUHKPRSQI-UHFFFAOYSA-N 1 2 346.240 2.423 10 5 EEBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000370142795 466774472 /nfs/dbraw/zinc/77/44/72/466774472.db2.gz NZFRAQZCWIEDSS-WBMJQRKESA-N 1 2 345.399 2.389 10 5 EEBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000370142795 466774476 /nfs/dbraw/zinc/77/44/76/466774476.db2.gz NZFRAQZCWIEDSS-WBMJQRKESA-N 1 2 345.399 2.389 10 5 EEBELO NC(=O)c1cccc([N+](=O)[O-])c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000420587065 467429702 /nfs/dbraw/zinc/42/97/02/467429702.db2.gz OVPRYBYIDZKIBL-UHFFFAOYSA-N 1 2 341.371 2.170 10 5 EEBELO Cn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nn1 ZINC000592132791 468633439 /nfs/dbraw/zinc/63/34/39/468633439.db2.gz NRHXWXPQOLFFMG-WKILWMFISA-N 1 2 345.403 2.029 10 5 EEBELO Cn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nn1 ZINC000592132791 468633443 /nfs/dbraw/zinc/63/34/43/468633443.db2.gz NRHXWXPQOLFFMG-WKILWMFISA-N 1 2 345.403 2.029 10 5 EEBELO Cc1cc(N2CC[NH+](CCc3cnccn3)CC2)c([N+](=O)[O-])s1 ZINC000601253462 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COc1ccc(-c2ccc(C[NH2+]Cc3cn(C)nn3)o2)c([N+](=O)[O-])c1 ZINC000611931429 469347632 /nfs/dbraw/zinc/34/76/32/469347632.db2.gz SOYBEQBCMPHHTD-UHFFFAOYSA-N 1 2 343.343 2.282 10 5 EEBELO CN(C)c1[nH+]cccc1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000603855158 469437335 /nfs/dbraw/zinc/43/73/35/469437335.db2.gz KZVQORPPPYJGQB-UHFFFAOYSA-N 1 2 340.343 2.317 10 5 EEBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000776278745 577456567 /nfs/dbraw/zinc/45/65/67/577456567.db2.gz UJFRRQZBOUNRGH-ZWKOTPCHSA-N 1 2 344.367 2.407 10 5 EEBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000776278745 577456568 /nfs/dbraw/zinc/45/65/68/577456568.db2.gz UJFRRQZBOUNRGH-ZWKOTPCHSA-N 1 2 344.367 2.407 10 5 EEBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000898495380 693341171 /nfs/dbraw/zinc/34/11/71/693341171.db2.gz REEZDZKVDWJQJZ-LBPRGKRZSA-N 1 2 329.759 2.412 10 5 EEBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000898495380 693341178 /nfs/dbraw/zinc/34/11/78/693341178.db2.gz REEZDZKVDWJQJZ-LBPRGKRZSA-N 1 2 329.759 2.412 10 5 EEBELO Cc1c[nH+]cc(C)c1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001133452709 1200934649 /nfs/dbraw/zinc/93/46/49/1200934649.db2.gz GVRNCIUKXGAYMU-UHFFFAOYSA-N 1 2 330.300 2.497 10 5 EEBELO C/C(=C/C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000901328367 1235553369 /nfs/dbraw/zinc/55/33/69/1235553369.db2.gz FDZPIZYJBIPBNL-FZDNWWAKSA-N 1 2 333.388 2.051 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc[nH+]c(N)c3C2)c1C ZINC001586737394 1348854412 /nfs/dbraw/zinc/85/44/12/1348854412.db2.gz GRJDJBCKHHYVRX-UHFFFAOYSA-N 1 2 326.356 2.387 10 5 EEBELO Cc1nc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001660132764 1354402225 /nfs/dbraw/zinc/40/22/25/1354402225.db2.gz AEWVSWMYXVKHPS-PWSUYJOCSA-N 1 2 345.359 2.103 10 5 EEBELO Cc1nc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001660132764 1354402227 /nfs/dbraw/zinc/40/22/27/1354402227.db2.gz AEWVSWMYXVKHPS-PWSUYJOCSA-N 1 2 345.359 2.103 10 5 EEBELO Cn1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(Br)n1 ZINC000712423189 794506623 /nfs/dbraw/zinc/50/66/23/794506623.db2.gz LNVAFHOLYRNBFM-UHFFFAOYSA-N 1 2 325.166 2.381 10 5 EEBELO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001470178130 1110502626 /nfs/dbraw/zinc/50/26/26/1110502626.db2.gz ZIJLSVMKRDAJNU-AWEZNQCLSA-N 1 2 333.388 2.437 10 5 EEBELO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001470178130 1110502628 /nfs/dbraw/zinc/50/26/28/1110502628.db2.gz ZIJLSVMKRDAJNU-AWEZNQCLSA-N 1 2 333.388 2.437 10 5 EEBELO CC[C@H](C[N+](=O)[O-])OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001520098863 1119127619 /nfs/dbraw/zinc/12/76/19/1119127619.db2.gz ABDACRJTEYCMMF-CQSZACIVSA-N 1 2 341.433 2.262 10 5 EEBELO COc1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000040374467 213293718 /nfs/dbraw/zinc/29/37/18/213293718.db2.gz DIMNFAKHJDOWJW-UHFFFAOYSA-N 1 2 345.355 2.251 10 5 EEBELO 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O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1Cc2cccnc2C1 ZINC000567380186 319374960 /nfs/dbraw/zinc/37/49/60/319374960.db2.gz BYGGALCADXAXIO-UHFFFAOYSA-N 1 2 340.339 2.304 10 5 EEBELO CC(C)(CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+]1CCOCC1 ZINC000583378240 324650794 /nfs/dbraw/zinc/65/07/94/324650794.db2.gz MQOIGZGVLNXJOH-UHFFFAOYSA-N 1 2 334.420 2.391 10 5 EEBELO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(NCCCCO)[nH+]c2)c1 ZINC000600794396 449549562 /nfs/dbraw/zinc/54/95/62/449549562.db2.gz UDPIXUOUTAOWFF-UHFFFAOYSA-N 1 2 331.372 2.376 10 5 EEBELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000105893272 463491741 /nfs/dbraw/zinc/49/17/41/463491741.db2.gz SSUXEXCARKQRAQ-INIZCTEOSA-N 1 2 330.388 2.309 10 5 EEBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000105893272 463491745 /nfs/dbraw/zinc/49/17/45/463491745.db2.gz SSUXEXCARKQRAQ-INIZCTEOSA-N 1 2 330.388 2.309 10 5 EEBELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000125934862 463591530 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2.085 10 5 EEBELO NC(=O)c1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000339771500 465502549 /nfs/dbraw/zinc/50/25/49/465502549.db2.gz MOFQAXUPEDYFHT-OAHLLOKOSA-N 1 2 333.388 2.085 10 5 EEBELO COc1cc(N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])cc1F ZINC000268197428 464967681 /nfs/dbraw/zinc/96/76/81/464967681.db2.gz NYBLOVGFEKZIOV-UHFFFAOYSA-N 1 2 346.362 2.460 10 5 EEBELO Nc1nccc([C@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000352403858 465524825 /nfs/dbraw/zinc/52/48/25/465524825.db2.gz YVBRTEZONLVVFC-JTQLQIEISA-N 1 2 349.341 2.625 10 5 EEBELO Nc1nccc([C@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000352403858 465524828 /nfs/dbraw/zinc/52/48/28/465524828.db2.gz YVBRTEZONLVVFC-JTQLQIEISA-N 1 2 349.341 2.625 10 5 EEBELO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600228257 468502317 /nfs/dbraw/zinc/50/23/17/468502317.db2.gz IILFZAPPXYIOQK-AWEZNQCLSA-N 1 2 333.388 2.437 10 5 EEBELO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600228257 468502319 /nfs/dbraw/zinc/50/23/19/468502319.db2.gz IILFZAPPXYIOQK-AWEZNQCLSA-N 1 2 333.388 2.437 10 5 EEBELO CSc1cccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000363927613 466657102 /nfs/dbraw/zinc/65/71/02/466657102.db2.gz MTPRKWMPQYLCEZ-SECBINFHSA-N 1 2 332.385 2.327 10 5 EEBELO CSc1cccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000363927613 466657109 /nfs/dbraw/zinc/65/71/09/466657109.db2.gz MTPRKWMPQYLCEZ-SECBINFHSA-N 1 2 332.385 2.327 10 5 EEBELO CCNC(=O)N1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413194760 467187755 /nfs/dbraw/zinc/18/77/55/467187755.db2.gz PWBJJSZEGPFHDL-LBPRGKRZSA-N 1 2 329.360 2.359 10 5 EEBELO Cn1cc(Br)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000393373637 467430502 /nfs/dbraw/zinc/43/05/02/467430502.db2.gz QUHPSQYVVFSOIX-UHFFFAOYSA-N 1 2 325.166 2.381 10 5 EEBELO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)c2c(c1)COCO2 ZINC000516162688 468016398 /nfs/dbraw/zinc/01/63/98/468016398.db2.gz PVBCTWOYEMQFAV-LBPRGKRZSA-N 1 2 330.287 2.275 10 5 EEBELO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](OC(F)F)C2)c2c(c1)COCO2 ZINC000516162688 468016400 /nfs/dbraw/zinc/01/64/00/468016400.db2.gz PVBCTWOYEMQFAV-LBPRGKRZSA-N 1 2 330.287 2.275 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)n1 ZINC000559188595 468731157 /nfs/dbraw/zinc/73/11/57/468731157.db2.gz QLVIBKKNIZSQSJ-UHFFFAOYSA-N 1 2 326.316 2.454 10 5 EEBELO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(Cn3cnnc3)CC2)c(F)c1 ZINC000593077011 468861670 /nfs/dbraw/zinc/86/16/70/468861670.db2.gz HTTYFUXZMHYZOY-UHFFFAOYSA-N 1 2 337.330 2.377 10 5 EEBELO CCc1nn(C)c(NCCNc2cc(C)[nH+]c(C(C)C)n2)c1[N+](=O)[O-] ZINC000599148583 469137488 /nfs/dbraw/zinc/13/74/88/469137488.db2.gz XKJCLTWUXUXCQM-UHFFFAOYSA-N 1 2 347.423 2.637 10 5 EEBELO O=C(C[NH+]1CC2(C1)CC(F)(F)C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000611180798 469186396 /nfs/dbraw/zinc/18/63/96/469186396.db2.gz SUYUPBGJKDWWMY-UHFFFAOYSA-N 1 2 337.326 2.215 10 5 EEBELO O=C(NCC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032626789 490578933 /nfs/dbraw/zinc/57/89/33/490578933.db2.gz OKZKDUNURRDHRE-CYBMUJFWSA-N 1 2 330.344 2.079 10 5 EEBELO Cc1cn2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000768863718 577564487 /nfs/dbraw/zinc/56/44/87/577564487.db2.gz YNDYJOMJDSDOKU-UHFFFAOYSA-N 1 2 338.370 2.413 10 5 EEBELO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000898502248 693350934 /nfs/dbraw/zinc/35/09/34/693350934.db2.gz CMIGOBZUUJRWAM-CYBMUJFWSA-N 1 2 337.395 2.423 10 5 EEBELO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)c1ccccc1[N+](=O)[O-] ZINC000898502248 693350940 /nfs/dbraw/zinc/35/09/40/693350940.db2.gz CMIGOBZUUJRWAM-CYBMUJFWSA-N 1 2 337.395 2.423 10 5 EEBELO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cnn(CCF)c3)CC2)c1 ZINC000929271107 1206461413 /nfs/dbraw/zinc/46/14/13/1206461413.db2.gz UVXZBNSZSMUEOS-UHFFFAOYSA-N 1 2 333.367 2.083 10 5 EEBELO O=C(N[C@@H]1CCC[N@@H+](CC[N+](=O)[O-])C1)c1ccc2ccccc2c1 ZINC000930026488 1206529753 /nfs/dbraw/zinc/52/97/53/1206529753.db2.gz HDMHCLCTONETAC-QGZVFWFLSA-N 1 2 327.384 2.311 10 5 EEBELO O=C(N[C@@H]1CCC[N@H+](CC[N+](=O)[O-])C1)c1ccc2ccccc2c1 ZINC000930026488 1206529754 /nfs/dbraw/zinc/52/97/54/1206529754.db2.gz HDMHCLCTONETAC-QGZVFWFLSA-N 1 2 327.384 2.311 10 5 EEBELO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827293008 1247832352 /nfs/dbraw/zinc/83/23/52/1247832352.db2.gz VPSNYLKWAXHYTL-TVQRCGJNSA-N 1 2 327.178 2.314 10 5 EEBELO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827293008 1247832367 /nfs/dbraw/zinc/83/23/67/1247832367.db2.gz VPSNYLKWAXHYTL-TVQRCGJNSA-N 1 2 327.178 2.314 10 5 EEBELO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839576074 1315216863 /nfs/dbraw/zinc/21/68/63/1315216863.db2.gz XRLCNXGCMSNYGK-PEGIJTEDSA-N 1 2 341.795 2.420 10 5 EEBELO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839576074 1315216867 /nfs/dbraw/zinc/21/68/67/1315216867.db2.gz XRLCNXGCMSNYGK-PEGIJTEDSA-N 1 2 341.795 2.420 10 5 EEBELO COc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001153236472 1316795619 /nfs/dbraw/zinc/79/56/19/1316795619.db2.gz ABXLTHHJEAOPKP-UHFFFAOYSA-N 1 2 339.311 2.436 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001302975846 1331342262 /nfs/dbraw/zinc/34/22/62/1331342262.db2.gz VQLQGMZCEOAFPM-UHFFFAOYSA-N 1 2 344.371 2.255 10 5 EEBELO C[N@@H+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000919597055 770074194 /nfs/dbraw/zinc/07/41/94/770074194.db2.gz AODBIPNKCINEKJ-NSHDSACASA-N 1 2 347.462 2.007 10 5 EEBELO C[N@H+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000919597055 770074207 /nfs/dbraw/zinc/07/42/07/770074207.db2.gz AODBIPNKCINEKJ-NSHDSACASA-N 1 2 347.462 2.007 10 5 EEBELO O=c1[nH]nc(C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)[nH]1 ZINC000808755719 812831086 /nfs/dbraw/zinc/83/10/86/812831086.db2.gz VPWCMWJVMMPAGT-UHFFFAOYSA-N 1 2 337.767 2.452 10 5 EEBELO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccn1C ZINC001454242335 1106960402 /nfs/dbraw/zinc/96/04/02/1106960402.db2.gz OYWUGOZRLDHROG-LLVKDONJSA-N 1 2 340.343 2.005 10 5 EEBELO O=[N+]([O-])c1c(Nc2ccc3c(c2)OCO3)ncnc1-n1cc[nH+]c1 ZINC000040584467 213353642 /nfs/dbraw/zinc/35/36/42/213353642.db2.gz PWVZWPFHWCDHEU-UHFFFAOYSA-N 1 2 326.272 2.043 10 5 EEBELO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184196232 235329546 /nfs/dbraw/zinc/32/95/46/235329546.db2.gz FTGHALRZMJYKDD-SNVBAGLBSA-N 1 2 326.324 2.128 10 5 EEBELO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184196232 235329549 /nfs/dbraw/zinc/32/95/49/235329549.db2.gz FTGHALRZMJYKDD-SNVBAGLBSA-N 1 2 326.324 2.128 10 5 EEBELO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000091981151 159211508 /nfs/dbraw/zinc/21/15/08/159211508.db2.gz JOTCNCNXFOFLIS-AWEZNQCLSA-N 1 2 347.394 2.309 10 5 EEBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000184681122 160013926 /nfs/dbraw/zinc/01/39/26/160013926.db2.gz UUQLSNKTMOPSAT-ZBFHGGJFSA-N 1 2 349.431 2.000 10 5 EEBELO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000189810847 160150274 /nfs/dbraw/zinc/15/02/74/160150274.db2.gz GMIZPLCNECEKSU-OAHLLOKOSA-N 1 2 347.415 2.311 10 5 EEBELO CC(C)c1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000189810847 160150275 /nfs/dbraw/zinc/15/02/75/160150275.db2.gz GMIZPLCNECEKSU-OAHLLOKOSA-N 1 2 347.415 2.311 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000355521363 163219877 /nfs/dbraw/zinc/21/98/77/163219877.db2.gz YYRGNONGDBTHKM-UHFFFAOYSA-N 1 2 334.420 2.481 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C ZINC000355521363 163219879 /nfs/dbraw/zinc/21/98/79/163219879.db2.gz YYRGNONGDBTHKM-UHFFFAOYSA-N 1 2 334.420 2.481 10 5 EEBELO Cc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000194273585 274070339 /nfs/dbraw/zinc/07/03/39/274070339.db2.gz PLUOCVCQGSQUFP-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO COCCC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000291364743 275298257 /nfs/dbraw/zinc/29/82/57/275298257.db2.gz YQFUDAYSPHCOGP-UHFFFAOYSA-N 1 2 344.371 2.279 10 5 EEBELO CCC[C@H](C)[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000566370607 319280177 /nfs/dbraw/zinc/28/01/77/319280177.db2.gz DXHCFHOOHFNXFL-JSGCOSHPSA-N 1 2 346.387 2.307 10 5 EEBELO COc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000582511166 324467900 /nfs/dbraw/zinc/46/79/00/324467900.db2.gz AKHRZWAKNSTKPW-UHFFFAOYSA-N 1 2 344.371 2.447 10 5 EEBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC(C1CC1)C1CC1 ZINC000153111214 462617388 /nfs/dbraw/zinc/61/73/88/462617388.db2.gz BZYOPBKXAAJAPQ-UHFFFAOYSA-N 1 2 329.400 2.258 10 5 EEBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NC(C1CC1)C1CC1 ZINC000153111214 462617393 /nfs/dbraw/zinc/61/73/93/462617393.db2.gz BZYOPBKXAAJAPQ-UHFFFAOYSA-N 1 2 329.400 2.258 10 5 EEBELO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCOC[C@H]1C ZINC000095979952 463124607 /nfs/dbraw/zinc/12/46/07/463124607.db2.gz CHBMRYAOPQIKSG-WDEREUQCSA-N 1 2 341.795 2.087 10 5 EEBELO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCOC[C@H]1C ZINC000095979952 463124614 /nfs/dbraw/zinc/12/46/14/463124614.db2.gz CHBMRYAOPQIKSG-WDEREUQCSA-N 1 2 341.795 2.087 10 5 EEBELO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1[nH+]ccn1CC(C)C ZINC000135304312 463141604 /nfs/dbraw/zinc/14/16/04/463141604.db2.gz NDFIZJAHZPUOCS-UHFFFAOYSA-N 1 2 331.376 2.419 10 5 EEBELO Cc1cn2cc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)ccc2[nH+]1 ZINC000263819345 464203877 /nfs/dbraw/zinc/20/38/77/464203877.db2.gz LTRQPZHCOLUDQS-UHFFFAOYSA-N 1 2 328.332 2.085 10 5 EEBELO O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591081047 468404600 /nfs/dbraw/zinc/40/46/00/468404600.db2.gz LISDDTPJKDQYKC-UHOFOFEASA-N 1 2 326.356 2.026 10 5 EEBELO C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295803157 464969962 /nfs/dbraw/zinc/96/99/62/464969962.db2.gz ATFMVNNJFVYFHT-ZANVPECISA-N 1 2 327.768 2.032 10 5 EEBELO C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000295803157 464969965 /nfs/dbraw/zinc/96/99/65/464969965.db2.gz ATFMVNNJFVYFHT-ZANVPECISA-N 1 2 327.768 2.032 10 5 EEBELO COc1cc(NCC(C)(C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000268241598 464988328 /nfs/dbraw/zinc/98/83/28/464988328.db2.gz UYFXHWCBQFIRTO-UHFFFAOYSA-N 1 2 327.356 2.265 10 5 EEBELO Cc1ccc(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)c(C)[nH+]1 ZINC000358784768 465320247 /nfs/dbraw/zinc/32/02/47/465320247.db2.gz LBEDGUFYLGMVAW-UHFFFAOYSA-N 1 2 326.312 2.472 10 5 EEBELO COc1ccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000353309759 465786491 /nfs/dbraw/zinc/78/64/91/465786491.db2.gz AAVZMTHHKYSDPM-SECBINFHSA-N 1 2 331.332 2.006 10 5 EEBELO COc1ccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000353309759 465786499 /nfs/dbraw/zinc/78/64/99/465786499.db2.gz AAVZMTHHKYSDPM-SECBINFHSA-N 1 2 331.332 2.006 10 5 EEBELO CSc1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000372332836 466309528 /nfs/dbraw/zinc/30/95/28/466309528.db2.gz LZJWHZVHEIZUEM-SNVBAGLBSA-N 1 2 332.385 2.327 10 5 EEBELO CSc1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000372332836 466309537 /nfs/dbraw/zinc/30/95/37/466309537.db2.gz LZJWHZVHEIZUEM-SNVBAGLBSA-N 1 2 332.385 2.327 10 5 EEBELO CCC(=O)N[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000434838200 467431980 /nfs/dbraw/zinc/43/19/80/467431980.db2.gz JPLIBXNPMDGROM-LLVKDONJSA-N 1 2 332.360 2.227 10 5 EEBELO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000434838200 467431984 /nfs/dbraw/zinc/43/19/84/467431984.db2.gz JPLIBXNPMDGROM-LLVKDONJSA-N 1 2 332.360 2.227 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000457851105 467717763 /nfs/dbraw/zinc/71/77/63/467717763.db2.gz HMWJNZPWQOEXQV-UHFFFAOYSA-N 1 2 342.277 2.320 10 5 EEBELO COCc1n[nH]c(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000595067149 468752412 /nfs/dbraw/zinc/75/24/12/468752412.db2.gz LKAOVKMFDULIAE-ZDUSSCGKSA-N 1 2 331.376 2.372 10 5 EEBELO Cn1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000601148762 468761067 /nfs/dbraw/zinc/76/10/67/468761067.db2.gz GMMFSJBIGPOSGX-SFHVURJKSA-N 1 2 340.383 2.479 10 5 EEBELO O=[N+]([O-])c1ccccc1N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000595288930 468801676 /nfs/dbraw/zinc/80/16/76/468801676.db2.gz BMNGFHPBBMWOIH-AWEZNQCLSA-N 1 2 327.331 2.141 10 5 EEBELO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598557148 468911969 /nfs/dbraw/zinc/91/19/69/468911969.db2.gz BPNPUQQMYUKTMF-ZDUSSCGKSA-N 1 2 333.388 2.152 10 5 EEBELO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598557148 468911974 /nfs/dbraw/zinc/91/19/74/468911974.db2.gz BPNPUQQMYUKTMF-ZDUSSCGKSA-N 1 2 333.388 2.152 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595624526 468927384 /nfs/dbraw/zinc/92/73/84/468927384.db2.gz BWRRWQKWYVGARY-SJKOYZFVSA-N 1 2 333.388 2.423 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595624526 468927389 /nfs/dbraw/zinc/92/73/89/468927389.db2.gz BWRRWQKWYVGARY-SJKOYZFVSA-N 1 2 333.388 2.423 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC2(COC2)C1 ZINC000595833478 469031581 /nfs/dbraw/zinc/03/15/81/469031581.db2.gz KMUCXLBZYRTGQL-JTQLQIEISA-N 1 2 339.779 2.298 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC2(COC2)C1 ZINC000595833478 469031587 /nfs/dbraw/zinc/03/15/87/469031587.db2.gz KMUCXLBZYRTGQL-JTQLQIEISA-N 1 2 339.779 2.298 10 5 EEBELO COc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596101159 469154255 /nfs/dbraw/zinc/15/42/55/469154255.db2.gz COZXNNIWDMYYQI-JTQLQIEISA-N 1 2 329.784 2.389 10 5 EEBELO COc1cc(NCC[N@H+]2CCO[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596101159 469154262 /nfs/dbraw/zinc/15/42/62/469154262.db2.gz COZXNNIWDMYYQI-JTQLQIEISA-N 1 2 329.784 2.389 10 5 EEBELO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(F)c1 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338.270 2.268 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c(Br)c1 ZINC001320456928 1332888160 /nfs/dbraw/zinc/88/81/60/1332888160.db2.gz NANCUPFDALHHQP-GFCCVEGCSA-N 1 2 327.178 2.314 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(Br)c1 ZINC001320456928 1332888161 /nfs/dbraw/zinc/88/81/61/1332888161.db2.gz NANCUPFDALHHQP-GFCCVEGCSA-N 1 2 327.178 2.314 10 5 EEBELO CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001351076770 1337786861 /nfs/dbraw/zinc/78/68/61/1337786861.db2.gz GRWXZMWKXVYKOV-UHFFFAOYSA-N 1 2 344.356 2.447 10 5 EEBELO Cn1c(Cl)ncc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000848888735 1338793184 /nfs/dbraw/zinc/79/31/84/1338793184.db2.gz YXYYPKIYDWODMT-JTQLQIEISA-N 1 2 336.783 2.063 10 5 EEBELO Cn1c(Cl)ncc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000848888735 1338793188 /nfs/dbraw/zinc/79/31/88/1338793188.db2.gz YXYYPKIYDWODMT-JTQLQIEISA-N 1 2 336.783 2.063 10 5 EEBELO 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Nc1[nH+]ccc2c1CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)CC2 ZINC001470906768 1110514004 /nfs/dbraw/zinc/51/40/04/1110514004.db2.gz CWZQZIUOZKKIJA-UHFFFAOYSA-N 1 2 332.747 2.424 10 5 EEBELO O=c1[nH]c(C2CC2)nc2c1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001473765395 1110580354 /nfs/dbraw/zinc/58/03/54/1110580354.db2.gz FXHGHTKDKZVVMI-UHFFFAOYSA-N 1 2 342.355 2.362 10 5 EEBELO O=c1[nH]c(C2CC2)nc2c1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001473765395 1110580355 /nfs/dbraw/zinc/58/03/55/1110580355.db2.gz FXHGHTKDKZVVMI-UHFFFAOYSA-N 1 2 342.355 2.362 10 5 EEBELO Cc1csc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001540616639 1124088247 /nfs/dbraw/zinc/08/82/47/1124088247.db2.gz YGIGFXCZOUMDSB-UHFFFAOYSA-N 1 2 343.368 2.475 10 5 EEBELO C[C@@H]1COCC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809626 242320072 /nfs/dbraw/zinc/32/00/72/242320072.db2.gz BAZBCHIMBWCMTI-HIFRSBDPSA-N 1 2 335.404 2.264 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000191801184 256006612 /nfs/dbraw/zinc/00/66/12/256006612.db2.gz DRYINJMQXDOQEV-UHFFFAOYSA-N 1 2 326.316 2.454 10 5 EEBELO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000091689230 159206573 /nfs/dbraw/zinc/20/65/73/159206573.db2.gz HOLNBFMACIWNLC-AWEZNQCLSA-N 1 2 347.394 2.309 10 5 EEBELO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000246337730 160274417 /nfs/dbraw/zinc/27/44/17/160274417.db2.gz FBFKBIHCUPVUPM-MLGOLLRUSA-N 1 2 339.823 2.401 10 5 EEBELO COC(=O)c1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353000597 162383921 /nfs/dbraw/zinc/38/39/21/162383921.db2.gz ZQIRYANYTASIQJ-UHFFFAOYSA-N 1 2 327.340 2.335 10 5 EEBELO COC(=O)c1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353000597 162383924 /nfs/dbraw/zinc/38/39/24/162383924.db2.gz ZQIRYANYTASIQJ-UHFFFAOYSA-N 1 2 327.340 2.335 10 5 EEBELO COc1ccnc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000299039199 294643959 /nfs/dbraw/zinc/64/39/59/294643959.db2.gz MVBAZTKBYVCCIB-ZDUSSCGKSA-N 1 2 343.387 2.277 10 5 EEBELO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000132204057 462846244 /nfs/dbraw/zinc/84/62/44/462846244.db2.gz LHJODQWTUNMNRK-OAHLLOKOSA-N 1 2 343.383 2.203 10 5 EEBELO CNC(=O)[C@@H]([NH2+]Cc1ccc(NC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000069780192 463325697 /nfs/dbraw/zinc/32/56/97/463325697.db2.gz LZKKXNMRUZXCHK-INIZCTEOSA-N 1 2 328.372 2.213 10 5 EEBELO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177748009 463781779 /nfs/dbraw/zinc/78/17/79/463781779.db2.gz QYSJLGIQHGMDOP-CQSZACIVSA-N 1 2 343.387 2.285 10 5 EEBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189323905 464476102 /nfs/dbraw/zinc/47/61/02/464476102.db2.gz FPZRTYXVZXHBNX-LSDHHAIUSA-N 1 2 348.359 2.127 10 5 EEBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000189323905 464476108 /nfs/dbraw/zinc/47/61/08/464476108.db2.gz FPZRTYXVZXHBNX-LSDHHAIUSA-N 1 2 348.359 2.127 10 5 EEBELO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000175429654 464547899 /nfs/dbraw/zinc/54/78/99/464547899.db2.gz KTNFBBDRRAPKOE-CYBMUJFWSA-N 1 2 330.344 2.110 10 5 EEBELO CCn1cc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000190814151 464725872 /nfs/dbraw/zinc/72/58/72/464725872.db2.gz MHKQFSFIPPGENG-KRWDZBQOSA-N 1 2 346.387 2.264 10 5 EEBELO CCn1cc([C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000190814151 464725881 /nfs/dbraw/zinc/72/58/81/464725881.db2.gz MHKQFSFIPPGENG-KRWDZBQOSA-N 1 2 346.387 2.264 10 5 EEBELO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000348206538 465490215 /nfs/dbraw/zinc/49/02/15/465490215.db2.gz LXZLVRISQGMCGH-CQSZACIVSA-N 1 2 337.395 2.421 10 5 EEBELO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2ccsc2)c2c(c1)COCO2 ZINC000349634762 466168681 /nfs/dbraw/zinc/16/86/81/466168681.db2.gz WNRFJHJSIYNYGO-CQSZACIVSA-N 1 2 336.369 2.346 10 5 EEBELO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccsc2)c2c(c1)COCO2 ZINC000349634760 466169247 /nfs/dbraw/zinc/16/92/47/466169247.db2.gz WNRFJHJSIYNYGO-AWEZNQCLSA-N 1 2 336.369 2.346 10 5 EEBELO Cn1c[nH+]cc1Cc1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000357939757 466334349 /nfs/dbraw/zinc/33/43/49/466334349.db2.gz BEAFCSYNQALECG-UHFFFAOYSA-N 1 2 342.359 2.347 10 5 EEBELO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1=O ZINC000340791814 466338875 /nfs/dbraw/zinc/33/88/75/466338875.db2.gz YXASNTJUEORDAP-ZDUSSCGKSA-N 1 2 347.350 2.071 10 5 EEBELO O=C(NCc1[nH]cc[nH+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347231418 466496033 /nfs/dbraw/zinc/49/60/33/466496033.db2.gz XXXNOEAHGPMTOL-UHFFFAOYSA-N 1 2 340.137 2.402 10 5 EEBELO CNC(=O)Cc1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000429227447 467314147 /nfs/dbraw/zinc/31/41/47/467314147.db2.gz ORPZZWVVSUWSHR-UHFFFAOYSA-N 1 2 348.428 2.365 10 5 EEBELO Cc1ccc([C@H](C)NC(=O)NCCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000458493778 467846047 /nfs/dbraw/zinc/84/60/47/467846047.db2.gz HBRMASASUJXHKT-LBPRGKRZSA-N 1 2 331.376 2.240 10 5 EEBELO O=C(Cc1cn2c([nH+]1)CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593396996 468962360 /nfs/dbraw/zinc/96/23/60/468962360.db2.gz VVQHTSREEZKGNN-UHFFFAOYSA-N 1 2 326.356 2.259 10 5 EEBELO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)O1 ZINC000601769977 469015359 /nfs/dbraw/zinc/01/53/59/469015359.db2.gz QJBQDHOXVPTHMR-WZRBSPASSA-N 1 2 330.344 2.076 10 5 EEBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000598998766 469082095 /nfs/dbraw/zinc/08/20/95/469082095.db2.gz XFKZBIOLNADKAD-ZDUSSCGKSA-N 1 2 326.356 2.251 10 5 EEBELO O=[N+]([O-])c1c(NC[C@@H]2CCCS(=O)(=O)C2)ccc2c[nH+]ccc21 ZINC000599085119 469112161 /nfs/dbraw/zinc/11/21/61/469112161.db2.gz MSVNNHWYSCLEES-NSHDSACASA-N 1 2 335.385 2.380 10 5 EEBELO Cn1nccc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1csc([N+](=O)[O-])c1 ZINC000599444282 469259690 /nfs/dbraw/zinc/25/96/90/469259690.db2.gz IKAQTTMIJIHNJO-OAHLLOKOSA-N 1 2 344.400 2.261 10 5 EEBELO Cc1cc(N[C@@H]2C[C@@H](O)C23CCC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596513886 469288822 /nfs/dbraw/zinc/28/88/22/469288822.db2.gz WUICIXLUBPJNRX-HUUCEWRRSA-N 1 2 340.383 2.498 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000611615615 469293483 /nfs/dbraw/zinc/29/34/83/469293483.db2.gz LHBQRRHLJCCVDY-UHFFFAOYSA-N 1 2 327.388 2.324 10 5 EEBELO COc1ccc(NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000599745184 469355799 /nfs/dbraw/zinc/35/57/99/469355799.db2.gz QKJCDWBCINELAG-NSHDSACASA-N 1 2 330.344 2.309 10 5 EEBELO Cc1nc([C@@](C)([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000814670773 1199670606 /nfs/dbraw/zinc/67/06/06/1199670606.db2.gz FTCJVNTZUZALRX-ZBFHGGJFSA-N 1 2 332.360 2.235 10 5 EEBELO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132814843 1200059250 /nfs/dbraw/zinc/05/92/50/1200059250.db2.gz DGWMDHLEQZLJER-HNNXBMFYSA-N 1 2 339.355 2.301 10 5 EEBELO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC001152052018 1316626536 /nfs/dbraw/zinc/62/65/36/1316626536.db2.gz CBMZSUIKPIVELE-OAHLLOKOSA-N 1 2 326.356 2.094 10 5 EEBELO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC001152052018 1316626539 /nfs/dbraw/zinc/62/65/39/1316626539.db2.gz CBMZSUIKPIVELE-OAHLLOKOSA-N 1 2 326.356 2.094 10 5 EEBELO CC[N@H+](CCNC(=O)C1CCOCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317477093 1331618761 /nfs/dbraw/zinc/61/87/61/1331618761.db2.gz XEHKOFUQDSMMFK-UHFFFAOYSA-N 1 2 341.433 2.021 10 5 EEBELO CC[N@@H+](CCNC(=O)C1CCOCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317477093 1331618769 /nfs/dbraw/zinc/61/87/69/1331618769.db2.gz XEHKOFUQDSMMFK-UHFFFAOYSA-N 1 2 341.433 2.021 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccns2)CC1 ZINC001332685503 1335882579 /nfs/dbraw/zinc/88/25/79/1335882579.db2.gz SPDCCSRBRCXUMK-UHFFFAOYSA-N 1 2 346.412 2.052 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](CO)c2cccc(F)c2)c1 ZINC001616538109 1352329474 /nfs/dbraw/zinc/32/94/74/1352329474.db2.gz GETDMGYJFRNRSK-OAHLLOKOSA-N 1 2 348.330 2.344 10 5 EEBELO COC(=O)[C@](C)(CCF)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559998206 1342505883 /nfs/dbraw/zinc/50/58/83/1342505883.db2.gz VPULRGLKTZRCTO-HNNXBMFYSA-N 1 2 328.340 2.245 10 5 EEBELO Nc1c(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001585868798 1348823932 /nfs/dbraw/zinc/82/39/32/1348823932.db2.gz RGTRIQFMWBPALU-MRVPVSSYSA-N 1 2 339.714 2.041 10 5 EEBELO CCc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c[nH+]1 ZINC001597258060 1349920739 /nfs/dbraw/zinc/92/07/39/1349920739.db2.gz SKFSIVDTIUKNNA-UHFFFAOYSA-N 1 2 340.286 2.412 10 5 EEBELO CCc1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)[nH+]1 ZINC001597258060 1349920740 /nfs/dbraw/zinc/92/07/40/1349920740.db2.gz SKFSIVDTIUKNNA-UHFFFAOYSA-N 1 2 340.286 2.412 10 5 EEBELO Nc1[nH+]ccc2c1CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC001642212510 1352728707 /nfs/dbraw/zinc/72/87/07/1352728707.db2.gz MVVKSSZSKMCZTQ-UHFFFAOYSA-N 1 2 332.747 2.424 10 5 EEBELO CC[N@H+](CCNC(=O)c1ccncc1)Cc1csc([N+](=O)[O-])c1 ZINC001663350260 1354952196 /nfs/dbraw/zinc/95/21/96/1354952196.db2.gz RXXNKXFABWLRGQ-UHFFFAOYSA-N 1 2 334.401 2.303 10 5 EEBELO CC[N@@H+](CCNC(=O)c1ccncc1)Cc1csc([N+](=O)[O-])c1 ZINC001663350260 1354952197 /nfs/dbraw/zinc/95/21/97/1354952197.db2.gz RXXNKXFABWLRGQ-UHFFFAOYSA-N 1 2 334.401 2.303 10 5 EEBELO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CO1 ZINC000722502561 778984623 /nfs/dbraw/zinc/98/46/23/778984623.db2.gz NIHDIGWKEKYNGY-JTQLQIEISA-N 1 2 329.378 2.297 10 5 EEBELO C[N@@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC000908570779 785535483 /nfs/dbraw/zinc/53/54/83/785535483.db2.gz MXVHDIQDXUAEME-UHFFFAOYSA-N 1 2 333.388 2.391 10 5 EEBELO C[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC000908570779 785535487 /nfs/dbraw/zinc/53/54/87/785535487.db2.gz MXVHDIQDXUAEME-UHFFFAOYSA-N 1 2 333.388 2.391 10 5 EEBELO COc1cnc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001473863802 1110582625 /nfs/dbraw/zinc/58/26/25/1110582625.db2.gz FLDBBPGGYRDMJF-AWEZNQCLSA-N 1 2 344.371 2.479 10 5 EEBELO COc1cnc([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001473863802 1110582626 /nfs/dbraw/zinc/58/26/26/1110582626.db2.gz FLDBBPGGYRDMJF-AWEZNQCLSA-N 1 2 344.371 2.479 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)c(F)c1 ZINC000359158436 285115064 /nfs/dbraw/zinc/11/50/64/285115064.db2.gz WBVKKGQORSYDSR-UHFFFAOYSA-N 1 2 346.362 2.255 10 5 EEBELO CCn1cc([C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000190801933 152224013 /nfs/dbraw/zinc/22/40/13/152224013.db2.gz NDYIHYHLXPYTLE-KRWDZBQOSA-N 1 2 346.387 2.264 10 5 EEBELO CCn1cc([C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000190801933 152224015 /nfs/dbraw/zinc/22/40/15/152224015.db2.gz NDYIHYHLXPYTLE-KRWDZBQOSA-N 1 2 346.387 2.264 10 5 EEBELO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188697130 160127591 /nfs/dbraw/zinc/12/75/91/160127591.db2.gz KFGPAEIOCHUXCS-UHFFFAOYSA-N 1 2 337.339 2.004 10 5 EEBELO CN(C)c1[nH+]cccc1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000195218397 160208237 /nfs/dbraw/zinc/20/82/37/160208237.db2.gz OOCDWILPBPGRCE-UHFFFAOYSA-N 1 2 339.355 2.467 10 5 EEBELO COc1cc(C[N@H+](CC(N)=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000352406001 162123742 /nfs/dbraw/zinc/12/37/42/162123742.db2.gz OQJOWUJIYNYKPM-UHFFFAOYSA-N 1 2 329.356 2.091 10 5 EEBELO COc1cc(C[N@@H+](CC(N)=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000352406001 162123745 /nfs/dbraw/zinc/12/37/45/162123745.db2.gz OQJOWUJIYNYKPM-UHFFFAOYSA-N 1 2 329.356 2.091 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000278581810 274377001 /nfs/dbraw/zinc/37/70/01/274377001.db2.gz DGJSHRCHXCWENO-OAHLLOKOSA-N 1 2 326.418 2.302 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000278581810 274377003 /nfs/dbraw/zinc/37/70/03/274377003.db2.gz DGJSHRCHXCWENO-OAHLLOKOSA-N 1 2 326.418 2.302 10 5 EEBELO Cc1sc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000414047211 312961343 /nfs/dbraw/zinc/96/13/43/312961343.db2.gz AZSYUYDBKQTPAO-UHFFFAOYSA-N 1 2 341.433 2.148 10 5 EEBELO COc1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000414548265 313039122 /nfs/dbraw/zinc/03/91/22/313039122.db2.gz JTWXJNDFMNOGSE-UHFFFAOYSA-N 1 2 328.368 2.349 10 5 EEBELO Cn1cc(Cl)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000420942494 314004880 /nfs/dbraw/zinc/00/48/80/314004880.db2.gz VQBRBUKYEQJYGJ-SNVBAGLBSA-N 1 2 336.783 2.063 10 5 EEBELO Cn1cc(Cl)c(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000420942494 314004882 /nfs/dbraw/zinc/00/48/82/314004882.db2.gz VQBRBUKYEQJYGJ-SNVBAGLBSA-N 1 2 336.783 2.063 10 5 EEBELO COC(=O)COc1ccc(CNc2ccc(OC)c[nH+]2)cc1[N+](=O)[O-] ZINC000616036785 450307248 /nfs/dbraw/zinc/30/72/48/450307248.db2.gz CRPFAFQIIHZXAZ-UHFFFAOYSA-N 1 2 347.327 2.162 10 5 EEBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000339132223 465101147 /nfs/dbraw/zinc/10/11/47/465101147.db2.gz GTVYROUBDMNJAN-UHFFFAOYSA-N 1 2 330.344 2.134 10 5 EEBELO Cc1nn(CC(=O)Nc2ccccc2-n2cc[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000045860101 462626047 /nfs/dbraw/zinc/62/60/47/462626047.db2.gz IFTAICARKGHBRB-UHFFFAOYSA-N 1 2 340.343 2.233 10 5 EEBELO CN(C)c1[nH+]cccc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000046287623 462668446 /nfs/dbraw/zinc/66/84/46/462668446.db2.gz KEYQRXOBCRXSGR-UHFFFAOYSA-N 1 2 343.387 2.397 10 5 EEBELO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000076048388 462794113 /nfs/dbraw/zinc/79/41/13/462794113.db2.gz FDXXNYCUGRZVFA-KRWDZBQOSA-N 1 2 347.415 2.198 10 5 EEBELO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1)N1CCCC1 ZINC000076048388 462794118 /nfs/dbraw/zinc/79/41/18/462794118.db2.gz FDXXNYCUGRZVFA-KRWDZBQOSA-N 1 2 347.415 2.198 10 5 EEBELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000105893181 463492923 /nfs/dbraw/zinc/49/29/23/463492923.db2.gz LPTMHGNMXGFYDF-KRWDZBQOSA-N 1 2 330.388 2.309 10 5 EEBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000105893181 463492926 /nfs/dbraw/zinc/49/29/26/463492926.db2.gz LPTMHGNMXGFYDF-KRWDZBQOSA-N 1 2 330.388 2.309 10 5 EEBELO Cc1nc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000185364373 463808716 /nfs/dbraw/zinc/80/87/16/463808716.db2.gz SLXSCHPVOJMJJO-UHFFFAOYSA-N 1 2 342.359 2.047 10 5 EEBELO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263828815 464207412 /nfs/dbraw/zinc/20/74/12/464207412.db2.gz MQDGSUYFIAKFRO-UHFFFAOYSA-N 1 2 343.387 2.450 10 5 EEBELO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)n2)c1 ZINC000249706945 464905808 /nfs/dbraw/zinc/90/58/08/464905808.db2.gz PEYYEXZEKYQKJS-HZPDHXFCSA-N 1 2 343.387 2.454 10 5 EEBELO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)n2)c1 ZINC000249706945 464905813 /nfs/dbraw/zinc/90/58/13/464905813.db2.gz PEYYEXZEKYQKJS-HZPDHXFCSA-N 1 2 343.387 2.454 10 5 EEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000342757565 465346482 /nfs/dbraw/zinc/34/64/82/465346482.db2.gz BPDATRJLHUAPNQ-ZENOOKHLSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000342757565 465346484 /nfs/dbraw/zinc/34/64/84/465346484.db2.gz BPDATRJLHUAPNQ-ZENOOKHLSA-N 1 2 334.372 2.377 10 5 EEBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000591555616 468484368 /nfs/dbraw/zinc/48/43/68/468484368.db2.gz OQSJHKFHGUXGEK-AWEZNQCLSA-N 1 2 332.404 2.489 10 5 EEBELO CCOc1ccc(NC(=O)C[N@@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000367661207 466477173 /nfs/dbraw/zinc/47/71/73/466477173.db2.gz KSALAJGNYNMKJZ-GFCCVEGCSA-N 1 2 337.376 2.043 10 5 EEBELO CCOc1ccc(NC(=O)C[N@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000367661207 466477182 /nfs/dbraw/zinc/47/71/82/466477182.db2.gz KSALAJGNYNMKJZ-GFCCVEGCSA-N 1 2 337.376 2.043 10 5 EEBELO Cc1cn2c([nH+]1)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000373314912 466763367 /nfs/dbraw/zinc/76/33/67/466763367.db2.gz AUCTTZWZPFBGER-UHFFFAOYSA-N 1 2 349.778 2.207 10 5 EEBELO CN(C)C(=O)C1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000414487850 467412961 /nfs/dbraw/zinc/41/29/61/467412961.db2.gz PRDJESNJQAKPOZ-UHFFFAOYSA-N 1 2 346.412 2.429 10 5 EEBELO CO[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1C ZINC000447810917 467588637 /nfs/dbraw/zinc/58/86/37/467588637.db2.gz BRJWQEDGVLXEHF-RDTXWAMCSA-N 1 2 349.431 2.288 10 5 EEBELO CCn1cc[nH+]c1CNC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000455288704 467659756 /nfs/dbraw/zinc/65/97/56/467659756.db2.gz ANKGIMVABICUTK-UHFFFAOYSA-N 1 2 331.376 2.195 10 5 EEBELO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595092375 468757290 /nfs/dbraw/zinc/75/72/90/468757290.db2.gz VDCJIVSDCVIKAO-ARFHVFGLSA-N 1 2 342.399 2.311 10 5 EEBELO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595092377 468757304 /nfs/dbraw/zinc/75/73/04/468757304.db2.gz VDCJIVSDCVIKAO-BZUAXINKSA-N 1 2 342.399 2.311 10 5 EEBELO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601383501 468851200 /nfs/dbraw/zinc/85/12/00/468851200.db2.gz QVFOGRSLRPDWEJ-ZJUUUORDSA-N 1 2 347.462 2.068 10 5 EEBELO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601383501 468851204 /nfs/dbraw/zinc/85/12/04/468851204.db2.gz QVFOGRSLRPDWEJ-ZJUUUORDSA-N 1 2 347.462 2.068 10 5 EEBELO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601468403 468887713 /nfs/dbraw/zinc/88/77/13/468887713.db2.gz CQJBAAHWUWKZMQ-CQSZACIVSA-N 1 2 340.383 2.344 10 5 EEBELO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C(C)(C)C1 ZINC000593338359 468943108 /nfs/dbraw/zinc/94/31/08/468943108.db2.gz HTRCDGDRQQTAHN-UHFFFAOYSA-N 1 2 341.433 2.148 10 5 EEBELO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C(C)(C)C1 ZINC000593338359 468943110 /nfs/dbraw/zinc/94/31/10/468943110.db2.gz HTRCDGDRQQTAHN-UHFFFAOYSA-N 1 2 341.433 2.148 10 5 EEBELO O=C(Cc1cn2c([nH+]1)CCCC2)NCCc1cccc([N+](=O)[O-])c1 ZINC000593559081 469034368 /nfs/dbraw/zinc/03/43/68/469034368.db2.gz KPJHFAGFPOWELZ-UHFFFAOYSA-N 1 2 328.372 2.029 10 5 EEBELO CN1c2ccccc2C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1=O ZINC000598949609 469063578 /nfs/dbraw/zinc/06/35/78/469063578.db2.gz YSJCSNJGEYEKFG-UHFFFAOYSA-N 1 2 341.367 2.452 10 5 EEBELO CN1c2ccccc2C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1=O ZINC000598949609 469063584 /nfs/dbraw/zinc/06/35/84/469063584.db2.gz YSJCSNJGEYEKFG-UHFFFAOYSA-N 1 2 341.367 2.452 10 5 EEBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000595932424 469089761 /nfs/dbraw/zinc/08/97/61/469089761.db2.gz PEGGTEDJWNLQQP-UHFFFAOYSA-N 1 2 332.316 2.008 10 5 EEBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000599139805 469133100 /nfs/dbraw/zinc/13/31/00/469133100.db2.gz QCFYVUBCNDPYJS-AWEZNQCLSA-N 1 2 328.372 2.021 10 5 EEBELO Cc1cc(C[NH+]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)on1 ZINC000611615654 469293307 /nfs/dbraw/zinc/29/33/07/469293307.db2.gz VJLQEHORLBZEGW-UHFFFAOYSA-N 1 2 331.376 2.225 10 5 EEBELO Nc1c(C(=O)N2CC[NH+](C3CC3)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC000895940535 684782874 /nfs/dbraw/zinc/78/28/74/684782874.db2.gz RPSYMSXKNCMSTB-UHFFFAOYSA-N 1 2 340.383 2.250 10 5 EEBELO CC(=O)C1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000872800294 1198391543 /nfs/dbraw/zinc/39/15/43/1198391543.db2.gz WBKWYNNRBYFFJC-UHFFFAOYSA-N 1 2 329.360 2.112 10 5 EEBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000857990965 1293982707 /nfs/dbraw/zinc/98/27/07/1293982707.db2.gz UEESTDYJHPCVJN-ZDUSSCGKSA-N 1 2 327.344 2.240 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC001597474822 1349925240 /nfs/dbraw/zinc/92/52/40/1349925240.db2.gz OGAPTJFLIHUIPR-CQSZACIVSA-N 1 2 331.376 2.339 10 5 EEBELO Nc1[nH+]ccc2c1CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)CC2 ZINC001635026605 1352638950 /nfs/dbraw/zinc/63/89/50/1352638950.db2.gz MMPQSYJASMHBGX-CABCVRRESA-N 1 2 338.367 2.260 10 5 EEBELO Cc1nc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)no1 ZINC001660133194 1354402381 /nfs/dbraw/zinc/40/23/81/1354402381.db2.gz HTAKYQHWYDXZBB-LLVKDONJSA-N 1 2 333.304 2.184 10 5 EEBELO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)no1 ZINC001660133194 1354402383 /nfs/dbraw/zinc/40/23/83/1354402383.db2.gz HTAKYQHWYDXZBB-LLVKDONJSA-N 1 2 333.304 2.184 10 5 EEBELO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001660132762 1354402533 /nfs/dbraw/zinc/40/25/33/1354402533.db2.gz AEWVSWMYXVKHPS-CMPLNLGQSA-N 1 2 345.359 2.103 10 5 EEBELO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001660132762 1354402536 /nfs/dbraw/zinc/40/25/36/1354402536.db2.gz AEWVSWMYXVKHPS-CMPLNLGQSA-N 1 2 345.359 2.103 10 5 EEBELO C/C(=C\C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000790127812 808453933 /nfs/dbraw/zinc/45/39/33/808453933.db2.gz NBZPIRJNPFNWDD-ZQHYZAEZSA-N 1 2 347.415 2.177 10 5 EEBELO Cc1nc(C2([NH2+]CCn3c(C)ncc3[N+](=O)[O-])CCCCC2)no1 ZINC001459677493 1110245710 /nfs/dbraw/zinc/24/57/10/1110245710.db2.gz NYWZQLBMRJTATR-UHFFFAOYSA-N 1 2 334.380 2.240 10 5 EEBELO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cnn(C)c1 ZINC001469560363 1110492807 /nfs/dbraw/zinc/49/28/07/1110492807.db2.gz ITXZKRBWYMLGES-UHFFFAOYSA-N 1 2 340.343 2.181 10 5 EEBELO COc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC001472063851 1110540826 /nfs/dbraw/zinc/54/08/26/1110540826.db2.gz DTZDUAQXZKTSNV-UHFFFAOYSA-N 1 2 330.344 2.135 10 5 EEBELO Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C)c[nH+]1 ZINC001521209940 1119222990 /nfs/dbraw/zinc/22/29/90/1119222990.db2.gz TYHSPUFDRXVZAK-UHFFFAOYSA-N 1 2 343.339 2.442 10 5 EEBELO Cc1nccnc1N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001536880016 1123848602 /nfs/dbraw/zinc/84/86/02/1123848602.db2.gz KHSYBJZMAAEJMC-UHFFFAOYSA-N 1 2 338.327 2.156 10 5 EEBELO O=C(Nc1nc2cc[nH]cc-2n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001537589740 1124009943 /nfs/dbraw/zinc/00/99/43/1124009943.db2.gz RNEYRHQSOOLVGR-UHFFFAOYSA-N 1 2 349.310 2.304 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000459147510 245009773 /nfs/dbraw/zinc/00/97/73/245009773.db2.gz JQNIQTXDDPPOHU-UHFFFAOYSA-N 1 2 343.387 2.245 10 5 EEBELO Cc1nc(N2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273543730 256305403 /nfs/dbraw/zinc/30/54/03/256305403.db2.gz XHHNHCFJBIFODR-UHFFFAOYSA-N 1 2 334.767 2.068 10 5 EEBELO Cc1cc(NC[C@@H](CO)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000357785456 153343815 /nfs/dbraw/zinc/34/38/15/153343815.db2.gz RTAFGUZLQVJWOD-AWEZNQCLSA-N 1 2 328.372 2.213 10 5 EEBELO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359439707 153363102 /nfs/dbraw/zinc/36/31/02/153363102.db2.gz NKSKCLLKVHCAEM-UHFFFAOYSA-N 1 2 326.259 2.158 10 5 EEBELO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186411482 160069921 /nfs/dbraw/zinc/06/99/21/160069921.db2.gz CQCDQZVIENACBK-UHFFFAOYSA-N 1 2 340.383 2.271 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279365176 269274488 /nfs/dbraw/zinc/27/44/88/269274488.db2.gz SCDCGYCLCIDHAF-UHFFFAOYSA-N 1 2 335.404 2.086 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279365176 269274490 /nfs/dbraw/zinc/27/44/90/269274490.db2.gz SCDCGYCLCIDHAF-UHFFFAOYSA-N 1 2 335.404 2.086 10 5 EEBELO Cn1ncc2c1nc(NCCCCc1ccc([N+](=O)[O-])cc1)[nH+]c2N ZINC000278334393 274348657 /nfs/dbraw/zinc/34/86/57/274348657.db2.gz IQYGXFDBQJJCGT-UHFFFAOYSA-N 1 2 341.375 2.289 10 5 EEBELO Cc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])cn2)nc(C(C)C)[nH+]1 ZINC000600366322 449340350 /nfs/dbraw/zinc/34/03/50/449340350.db2.gz NRFASYJIBGUXLC-UHFFFAOYSA-N 1 2 344.375 2.054 10 5 EEBELO C[N@@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000134363693 463029761 /nfs/dbraw/zinc/02/97/61/463029761.db2.gz FTRBKSGHUQOSKP-FZMZJTMJSA-N 1 2 349.778 2.147 10 5 EEBELO C[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000134363693 463029766 /nfs/dbraw/zinc/02/97/66/463029766.db2.gz FTRBKSGHUQOSKP-FZMZJTMJSA-N 1 2 349.778 2.147 10 5 EEBELO 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EEBELO C[NH+](C)C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488908826 468111597 /nfs/dbraw/zinc/11/15/97/468111597.db2.gz LDWLYCSLDMWIST-AWEZNQCLSA-N 1 2 347.346 2.472 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000558866296 468718099 /nfs/dbraw/zinc/71/80/99/468718099.db2.gz SBSJQPVKSNYNGO-SKDRFNHKSA-N 1 2 329.303 2.235 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558866296 468718105 /nfs/dbraw/zinc/71/81/05/468718105.db2.gz SBSJQPVKSNYNGO-SKDRFNHKSA-N 1 2 329.303 2.235 10 5 EEBELO CC1(C)OCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598455483 468871903 /nfs/dbraw/zinc/87/19/03/468871903.db2.gz SJTOVAJLIKETCR-ZDUSSCGKSA-N 1 2 344.371 2.325 10 5 EEBELO C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595843977 469039162 /nfs/dbraw/zinc/03/91/62/469039162.db2.gz FGFATNMENTWAAG-LBPRGKRZSA-N 1 2 331.376 2.273 10 5 EEBELO CN(C)C(=O)[C@@H]1CC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])O1 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327.356 2.265 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000747214746 577940926 /nfs/dbraw/zinc/94/09/26/577940926.db2.gz CWCOSDYMWIBGOH-UHFFFAOYSA-N 1 2 327.356 2.265 10 5 EEBELO Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3ncc([N+](=O)[O-])cn3)C2)c1 ZINC000866190964 1201460781 /nfs/dbraw/zinc/46/07/81/1201460781.db2.gz PMJJJOHXKNAHMF-INIZCTEOSA-N 1 2 343.387 2.006 10 5 EEBELO Cc1cccc(C[N@H+]2CCO[C@@H](CNc3ncc([N+](=O)[O-])cn3)C2)c1 ZINC000866190964 1201460782 /nfs/dbraw/zinc/46/07/82/1201460782.db2.gz PMJJJOHXKNAHMF-INIZCTEOSA-N 1 2 343.387 2.006 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN(c2cnccn2)[C@@H](C)C1 ZINC001198837178 1285357464 /nfs/dbraw/zinc/35/74/64/1285357464.db2.gz KPKKCURRODDGRU-ZDUSSCGKSA-N 1 2 343.387 2.104 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN(c2cnccn2)[C@@H](C)C1 ZINC001198837178 1285357471 /nfs/dbraw/zinc/35/74/71/1285357471.db2.gz KPKKCURRODDGRU-ZDUSSCGKSA-N 1 2 343.387 2.104 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000853799315 1292458288 /nfs/dbraw/zinc/45/82/88/1292458288.db2.gz LHZVRCNBPJICGR-GHMZBOCLSA-N 1 2 327.356 2.264 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000853799315 1292458291 /nfs/dbraw/zinc/45/82/91/1292458291.db2.gz LHZVRCNBPJICGR-GHMZBOCLSA-N 1 2 327.356 2.264 10 5 EEBELO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000859557707 1294492526 /nfs/dbraw/zinc/49/25/26/1294492526.db2.gz DUDOAHNYLVYBGF-AWEZNQCLSA-N 1 2 328.752 2.012 10 5 EEBELO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000859557707 1294492537 /nfs/dbraw/zinc/49/25/37/1294492537.db2.gz DUDOAHNYLVYBGF-AWEZNQCLSA-N 1 2 328.752 2.012 10 5 EEBELO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC001616700131 1352331193 /nfs/dbraw/zinc/33/11/93/1352331193.db2.gz RRCMGOAVYVKVKG-IUCAKERBSA-N 1 2 329.320 2.175 10 5 EEBELO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001625024411 1352437809 /nfs/dbraw/zinc/43/78/09/1352437809.db2.gz YZPPJLBRSPGYOI-UHFFFAOYSA-N 1 2 332.707 2.409 10 5 EEBELO Cc1cnc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001628181882 1352524431 /nfs/dbraw/zinc/52/44/31/1352524431.db2.gz HCUJAOLJTJXKJU-UHFFFAOYSA-N 1 2 343.368 2.475 10 5 EEBELO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1[nH]c2c([nH+]1)CCCC2 ZINC001647344036 1353238028 /nfs/dbraw/zinc/23/80/28/1353238028.db2.gz RMUWUVNSBSPZKG-UHFFFAOYSA-N 1 2 344.371 2.282 10 5 EEBELO Cc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c(C)c[nH+]1 ZINC001521209844 1119222879 /nfs/dbraw/zinc/22/28/79/1119222879.db2.gz RQDFTFPEGLXEFO-UHFFFAOYSA-N 1 2 343.339 2.442 10 5 EEBELO CCNc1cc(Cn2cc(Br)c([N+](=O)[O-])n2)cc[nH+]1 ZINC000052733890 214142586 /nfs/dbraw/zinc/14/25/86/214142586.db2.gz MBUSDBMQLVQXKX-UHFFFAOYSA-N 1 2 326.154 2.429 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000053267163 214173664 /nfs/dbraw/zinc/17/36/64/214173664.db2.gz OYRMQKUKICQXJW-UHFFFAOYSA-N 1 2 346.412 2.148 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000053267163 214173667 /nfs/dbraw/zinc/17/36/67/214173667.db2.gz OYRMQKUKICQXJW-UHFFFAOYSA-N 1 2 346.412 2.148 10 5 EEBELO C[C@@H]1COCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809627 242320555 /nfs/dbraw/zinc/32/05/55/242320555.db2.gz BAZBCHIMBWCMTI-UKRRQHHQSA-N 1 2 335.404 2.264 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273727798 256322299 /nfs/dbraw/zinc/32/22/99/256322299.db2.gz JMKZIIHGVQQKSX-UHFFFAOYSA-N 1 2 331.351 2.155 10 5 EEBELO COc1cc(C[NH2+][C@](C)(C(N)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352526853 162172877 /nfs/dbraw/zinc/17/28/77/162172877.db2.gz SNSHLZNASSLDAL-KRWDZBQOSA-N 1 2 329.356 2.094 10 5 EEBELO CC(=O)c1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000286876436 274914936 /nfs/dbraw/zinc/91/49/36/274914936.db2.gz NUDLMHHIDMCNFU-UHFFFAOYSA-N 1 2 341.371 2.222 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+]3CCOCC3)o2)n1 ZINC000302394374 294951291 /nfs/dbraw/zinc/95/12/91/294951291.db2.gz CQKZCLQSVJKMKY-UHFFFAOYSA-N 1 2 332.360 2.336 10 5 EEBELO CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452941554 315619111 /nfs/dbraw/zinc/61/91/11/315619111.db2.gz TUAVVMFBSGPSKD-ZIAGYGMSSA-N 1 2 344.371 2.014 10 5 EEBELO Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000552229735 468319688 /nfs/dbraw/zinc/31/96/88/468319688.db2.gz SYUZLXNKVKPLMO-HAQNSBGRSA-N 1 2 344.375 2.174 10 5 EEBELO O=C(c1cccc([N+](=O)[O-])c1)[C@@H](O)Nc1ccc2ccc[nH+]c2c1O ZINC000031573838 463345607 /nfs/dbraw/zinc/34/56/07/463345607.db2.gz GJOHBVXGLOXPBC-QGZVFWFLSA-N 1 2 339.307 2.462 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276989200 463831654 /nfs/dbraw/zinc/83/16/54/463831654.db2.gz ULNFCJXGBHKOHE-UHFFFAOYSA-N 1 2 342.355 2.001 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276989200 463831661 /nfs/dbraw/zinc/83/16/61/463831661.db2.gz ULNFCJXGBHKOHE-UHFFFAOYSA-N 1 2 342.355 2.001 10 5 EEBELO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000171954057 463955775 /nfs/dbraw/zinc/95/57/75/463955775.db2.gz DCJXZLYETUQGEM-MRXNPFEDSA-N 1 2 348.403 2.313 10 5 EEBELO CCOc1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000285210556 464487910 /nfs/dbraw/zinc/48/79/10/464487910.db2.gz DPKFVZFJLKRSGY-KRWDZBQOSA-N 1 2 336.388 2.375 10 5 EEBELO CCOc1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000285210556 464487916 /nfs/dbraw/zinc/48/79/16/464487916.db2.gz DPKFVZFJLKRSGY-KRWDZBQOSA-N 1 2 336.388 2.375 10 5 EEBELO O=[N+]([O-])c1cnc2ccc(NC3CCN(c4cccc[nH+]4)CC3)nn21 ZINC000301850807 466046647 /nfs/dbraw/zinc/04/66/47/466046647.db2.gz WUETVNMOBGCQMU-UHFFFAOYSA-N 1 2 339.359 2.113 10 5 EEBELO O=[N+]([O-])c1cnc2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)nn21 ZINC000301895725 466055058 /nfs/dbraw/zinc/05/50/58/466055058.db2.gz YIXSPVFZTHHCTM-UHFFFAOYSA-N 1 2 335.327 2.435 10 5 EEBELO COc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000361644271 466174384 /nfs/dbraw/zinc/17/43/84/466174384.db2.gz PKZITCMSUUPTNF-CXAGYDPISA-N 1 2 336.388 2.373 10 5 EEBELO COc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000361644271 466174392 /nfs/dbraw/zinc/17/43/92/466174392.db2.gz PKZITCMSUUPTNF-CXAGYDPISA-N 1 2 336.388 2.373 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000302796922 466188137 /nfs/dbraw/zinc/18/81/37/466188137.db2.gz AEXCLQIIUQBEJX-GFCCVEGCSA-N 1 2 325.796 2.468 10 5 EEBELO O=C(NCC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600169358 468483501 /nfs/dbraw/zinc/48/35/01/468483501.db2.gz FAIOMQKDFZJABK-CYBMUJFWSA-N 1 2 344.371 2.327 10 5 EEBELO C[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000357933160 466328997 /nfs/dbraw/zinc/32/89/97/466328997.db2.gz ISSJNEUDWBBUBR-GHMZBOCLSA-N 1 2 329.360 2.236 10 5 EEBELO C[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000357933160 466329003 /nfs/dbraw/zinc/32/90/03/466329003.db2.gz ISSJNEUDWBBUBR-GHMZBOCLSA-N 1 2 329.360 2.236 10 5 EEBELO O=C(C[N@@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000373938366 466975971 /nfs/dbraw/zinc/97/59/71/466975971.db2.gz NOFOSIGRKRIFGJ-CYBMUJFWSA-N 1 2 341.371 2.203 10 5 EEBELO O=C(C[N@H+]1CCC[C@@H](c2ccncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000373938366 466975975 /nfs/dbraw/zinc/97/59/75/466975975.db2.gz NOFOSIGRKRIFGJ-CYBMUJFWSA-N 1 2 341.371 2.203 10 5 EEBELO CCOC(=O)Cc1ccc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000591949344 468580369 /nfs/dbraw/zinc/58/03/69/468580369.db2.gz WRVBHKORSRYEQT-UHFFFAOYSA-N 1 2 332.360 2.089 10 5 EEBELO COC1CC(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000597860442 468696135 /nfs/dbraw/zinc/69/61/35/468696135.db2.gz DDEQWEWRJQXLLF-UHFFFAOYSA-N 1 2 344.371 2.325 10 5 EEBELO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000595092381 468757513 /nfs/dbraw/zinc/75/75/13/468757513.db2.gz VDCJIVSDCVIKAO-OWCLPIDISA-N 1 2 342.399 2.311 10 5 EEBELO CN(C)c1[nH+]cccc1N(C)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593082476 468863517 /nfs/dbraw/zinc/86/35/17/468863517.db2.gz QKLQLFVTYBSWQZ-UHFFFAOYSA-N 1 2 332.335 2.400 10 5 EEBELO Cc1noc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595476114 468869386 /nfs/dbraw/zinc/86/93/86/468869386.db2.gz QVFKYEJSOKANSH-JRPNMDOOSA-N 1 2 325.365 2.050 10 5 EEBELO Cc1noc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595476114 468869388 /nfs/dbraw/zinc/86/93/88/468869388.db2.gz QVFKYEJSOKANSH-JRPNMDOOSA-N 1 2 325.365 2.050 10 5 EEBELO O=C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595826896 469030191 /nfs/dbraw/zinc/03/01/91/469030191.db2.gz AXPFJCGPFHBISW-QWRGUYRKSA-N 1 2 339.779 2.155 10 5 EEBELO O=C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595826896 469030197 /nfs/dbraw/zinc/03/01/97/469030197.db2.gz AXPFJCGPFHBISW-QWRGUYRKSA-N 1 2 339.779 2.155 10 5 EEBELO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000595853772 469047144 /nfs/dbraw/zinc/04/71/44/469047144.db2.gz XTSVNEWDDLLZOF-BJHJDKERSA-N 1 2 346.343 2.028 10 5 EEBELO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000595853772 469047149 /nfs/dbraw/zinc/04/71/49/469047149.db2.gz XTSVNEWDDLLZOF-BJHJDKERSA-N 1 2 346.343 2.028 10 5 EEBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598941896 469058342 /nfs/dbraw/zinc/05/83/42/469058342.db2.gz HELUVUUFMAYZJQ-QWRGUYRKSA-N 1 2 332.385 2.013 10 5 EEBELO CCNC(=O)N1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599057402 469102365 /nfs/dbraw/zinc/10/23/65/469102365.db2.gz OIXICCRPHUFMGE-LBPRGKRZSA-N 1 2 329.360 2.359 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975238 469122249 /nfs/dbraw/zinc/12/22/49/469122249.db2.gz MNFDGXSZINHUBG-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975238 469122254 /nfs/dbraw/zinc/12/22/54/469122254.db2.gz MNFDGXSZINHUBG-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000599141095 469133849 /nfs/dbraw/zinc/13/38/49/469133849.db2.gz WNZGHYNJFLXERF-LBPRGKRZSA-N 1 2 334.401 2.746 10 5 EEBELO COc1ccc(C[N@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000599141095 469133856 /nfs/dbraw/zinc/13/38/56/469133856.db2.gz WNZGHYNJFLXERF-LBPRGKRZSA-N 1 2 334.401 2.746 10 5 EEBELO CN1CC[N@H+](Cc2ccccc2)[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596549900 469298948 /nfs/dbraw/zinc/29/89/48/469298948.db2.gz BPXLZAYNMDSHNR-KRWDZBQOSA-N 1 2 341.415 2.218 10 5 EEBELO CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596549900 469298951 /nfs/dbraw/zinc/29/89/51/469298951.db2.gz BPXLZAYNMDSHNR-KRWDZBQOSA-N 1 2 341.415 2.218 10 5 EEBELO O=[N+]([O-])c1ccc2[nH]c(=NC3CC[NH+](CC(F)F)CC3)[nH]c2c1 ZINC000618583275 469396862 /nfs/dbraw/zinc/39/68/62/469396862.db2.gz JNROIBODOIUJQM-UHFFFAOYSA-N 1 2 325.319 2.034 10 5 EEBELO O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298177068 490736524 /nfs/dbraw/zinc/73/65/24/490736524.db2.gz DIKZCPZGBNHMNN-TZMCWYRMSA-N 1 2 344.371 2.061 10 5 EEBELO CCc1cc(NCC[S@@](=O)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000733894186 577264471 /nfs/dbraw/zinc/26/44/71/577264471.db2.gz YUUXQEYQDCRXAM-DEOSSOPVSA-N 1 2 348.428 2.217 10 5 EEBELO C/C(=C/C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1 ZINC000767595577 577540693 /nfs/dbraw/zinc/54/06/93/577540693.db2.gz GNWWZJXEXBKEJS-DFXPUQADSA-N 1 2 346.383 2.405 10 5 EEBELO C/C(=C/C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1 ZINC000767595577 577540694 /nfs/dbraw/zinc/54/06/94/577540694.db2.gz GNWWZJXEXBKEJS-DFXPUQADSA-N 1 2 346.383 2.405 10 5 EEBELO COC(=O)[C@H](CC1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000895589464 684652536 /nfs/dbraw/zinc/65/25/36/684652536.db2.gz AYNRZHGABKJUQC-INIZCTEOSA-N 1 2 336.388 2.085 10 5 EEBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000898494425 693340367 /nfs/dbraw/zinc/34/03/67/693340367.db2.gz BJLAVZPTMFIYAS-LLVKDONJSA-N 1 2 329.759 2.412 10 5 EEBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000898494425 693340374 /nfs/dbraw/zinc/34/03/74/693340374.db2.gz BJLAVZPTMFIYAS-LLVKDONJSA-N 1 2 329.759 2.412 10 5 EEBELO C[N@H+](CCNC(=O)c1ccccc1O)Cc1ccccc1[N+](=O)[O-] ZINC001266258572 1176043916 /nfs/dbraw/zinc/04/39/16/1176043916.db2.gz RJLWAMMOHXJJBS-UHFFFAOYSA-N 1 2 329.356 2.162 10 5 EEBELO C[N@@H+](CCNC(=O)c1ccccc1O)Cc1ccccc1[N+](=O)[O-] ZINC001266258572 1176043922 /nfs/dbraw/zinc/04/39/22/1176043922.db2.gz RJLWAMMOHXJJBS-UHFFFAOYSA-N 1 2 329.356 2.162 10 5 EEBELO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929864097 1206510709 /nfs/dbraw/zinc/51/07/09/1206510709.db2.gz TVQVUAJLLJWRPD-ZLDLUXBVSA-N 1 2 326.780 2.484 10 5 EEBELO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929864097 1206510711 /nfs/dbraw/zinc/51/07/11/1206510711.db2.gz TVQVUAJLLJWRPD-ZLDLUXBVSA-N 1 2 326.780 2.484 10 5 EEBELO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CCn4c[nH+]cc4C3)c2c1 ZINC001612448000 1352307927 /nfs/dbraw/zinc/30/79/27/1352307927.db2.gz IQVCTQBFJWMKTE-UHFFFAOYSA-N 1 2 340.299 2.268 10 5 EEBELO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001624842794 1352432393 /nfs/dbraw/zinc/43/23/93/1352432393.db2.gz WRAIPMQNOHSBGF-HNNXBMFYSA-N 1 2 329.360 2.015 10 5 EEBELO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001624842794 1352432397 /nfs/dbraw/zinc/43/23/97/1352432397.db2.gz WRAIPMQNOHSBGF-HNNXBMFYSA-N 1 2 329.360 2.015 10 5 EEBELO Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cnn1C ZINC001630474403 1352569075 /nfs/dbraw/zinc/56/90/75/1352569075.db2.gz SLQVNPUIKUMGFA-UHFFFAOYSA-N 1 2 326.316 2.075 10 5 EEBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCc2c[nH+]cn2C1 ZINC001639819687 1352702160 /nfs/dbraw/zinc/70/21/60/1352702160.db2.gz 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C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000588448228 759999224 /nfs/dbraw/zinc/99/92/24/759999224.db2.gz PKNKNXYOCVVCMH-YBEMTRGBSA-N 1 2 334.372 2.262 10 5 EEBELO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1C ZINC001135424076 783749738 /nfs/dbraw/zinc/74/97/38/783749738.db2.gz XEBXKYJVNMYTOA-UHFFFAOYSA-N 1 2 339.355 2.357 10 5 EEBELO C/C(=C/C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000804333250 803883388 /nfs/dbraw/zinc/88/33/88/803883388.db2.gz WQWOAFYULPIWBE-UNJUUPHPSA-N 1 2 326.356 2.326 10 5 EEBELO COc1cc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc([N+](=O)[O-])c1C ZINC001170268493 809855145 /nfs/dbraw/zinc/85/51/45/809855145.db2.gz NCPAQLOJVBABNX-UHFFFAOYSA-N 1 2 342.355 2.088 10 5 EEBELO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1F ZINC001464635163 1110399129 /nfs/dbraw/zinc/39/91/29/1110399129.db2.gz NAGQTQUYSHRWLH-UHFFFAOYSA-N 1 2 329.331 2.480 10 5 EEBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC001465976037 1110427445 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LWLRSJSCQTZDOO-ISVAXAHUSA-N 1 2 344.293 2.216 10 5 EEBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(C1)CCCOC2 ZINC000360674296 164361805 /nfs/dbraw/zinc/36/18/05/164361805.db2.gz OJJIYWRUQFSDGM-UHFFFAOYSA-N 1 2 342.355 2.033 10 5 EEBELO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@]2(CCOC2)O1 ZINC000374018325 167003554 /nfs/dbraw/zinc/00/35/54/167003554.db2.gz NOLGTVPXGSOPFS-RDJZCZTQSA-N 1 2 336.388 2.373 10 5 EEBELO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@]2(CCOC2)O1 ZINC000374018325 167003556 /nfs/dbraw/zinc/00/35/56/167003556.db2.gz NOLGTVPXGSOPFS-RDJZCZTQSA-N 1 2 336.388 2.373 10 5 EEBELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000153154855 462621133 /nfs/dbraw/zinc/62/11/33/462621133.db2.gz XDUKPLBAVRHZRW-OKILXGFUSA-N 1 2 331.416 2.457 10 5 EEBELO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000153154855 462621139 /nfs/dbraw/zinc/62/11/39/462621139.db2.gz XDUKPLBAVRHZRW-OKILXGFUSA-N 1 2 331.416 2.457 10 5 EEBELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000065969051 462843905 /nfs/dbraw/zinc/84/39/05/462843905.db2.gz OJKRHTKHQYVRHP-CYBMUJFWSA-N 1 2 345.403 2.419 10 5 EEBELO CN(C)c1[nH+]cccc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048322704 462893393 /nfs/dbraw/zinc/89/33/93/462893393.db2.gz MHSJCUGRSPFEIS-UHFFFAOYSA-N 1 2 339.355 2.467 10 5 EEBELO CCOC(=O)c1ccnc(NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000077928432 463071992 /nfs/dbraw/zinc/07/19/92/463071992.db2.gz RVRTXFFOSLJPFI-UHFFFAOYSA-N 1 2 345.359 2.240 10 5 EEBELO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000121436880 463135502 /nfs/dbraw/zinc/13/55/02/463135502.db2.gz YOOGLVPPLSALEI-VIFPVBQESA-N 1 2 342.402 2.295 10 5 EEBELO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000192008785 464848645 /nfs/dbraw/zinc/84/86/45/464848645.db2.gz SUPQDIRPHONUTH-GFCCVEGCSA-N 1 2 339.367 2.105 10 5 EEBELO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000192008785 464848648 /nfs/dbraw/zinc/84/86/48/464848648.db2.gz SUPQDIRPHONUTH-GFCCVEGCSA-N 1 2 339.367 2.105 10 5 EEBELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000192008785 464848653 /nfs/dbraw/zinc/84/86/53/464848653.db2.gz SUPQDIRPHONUTH-GFCCVEGCSA-N 1 2 339.367 2.105 10 5 EEBELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000192008785 464848655 /nfs/dbraw/zinc/84/86/55/464848655.db2.gz SUPQDIRPHONUTH-GFCCVEGCSA-N 1 2 339.367 2.105 10 5 EEBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000600063359 468446638 /nfs/dbraw/zinc/44/66/38/468446638.db2.gz WQFHYJQXVPSVAC-LLVKDONJSA-N 1 2 329.360 2.343 10 5 EEBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371442108 465797077 /nfs/dbraw/zinc/79/70/77/465797077.db2.gz GHYMVBHNAPAFAB-JTQLQIEISA-N 1 2 334.763 2.188 10 5 EEBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371442108 465797082 /nfs/dbraw/zinc/79/70/82/465797082.db2.gz GHYMVBHNAPAFAB-JTQLQIEISA-N 1 2 334.763 2.188 10 5 EEBELO Cn1cc(C[NH+]2CC3(C2)CCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600189827 468488943 /nfs/dbraw/zinc/48/89/43/468488943.db2.gz LBZLIXRXVNNTHG-UHFFFAOYSA-N 1 2 328.372 2.360 10 5 EEBELO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000310691964 466515071 /nfs/dbraw/zinc/51/50/71/466515071.db2.gz KTXVQUVTPOZWAQ-UHFFFAOYSA-N 1 2 341.367 2.258 10 5 EEBELO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000401213028 467458851 /nfs/dbraw/zinc/45/88/51/467458851.db2.gz RFMGOXBALAQDLL-OAHLLOKOSA-N 1 2 346.362 2.442 10 5 EEBELO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000401213028 467458855 /nfs/dbraw/zinc/45/88/55/467458855.db2.gz RFMGOXBALAQDLL-OAHLLOKOSA-N 1 2 346.362 2.442 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@@H]2C[C@H]1CS2 ZINC000458323674 467810144 /nfs/dbraw/zinc/81/01/44/467810144.db2.gz AMWNXPKFIWDNRY-RYUDHWBXSA-N 1 2 330.369 2.110 10 5 EEBELO CCOc1cc(C[N@H+](CCOC)Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC000489835189 468169254 /nfs/dbraw/zinc/16/92/54/468169254.db2.gz FJQRZCHSJRHMEZ-UHFFFAOYSA-N 1 2 348.403 2.376 10 5 EEBELO CCOc1cc(C[N@@H+](CCOC)Cc2ccnn2C)ccc1[N+](=O)[O-] ZINC000489835189 468169258 /nfs/dbraw/zinc/16/92/58/468169258.db2.gz FJQRZCHSJRHMEZ-UHFFFAOYSA-N 1 2 348.403 2.376 10 5 EEBELO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H](O)C(F)(F)F ZINC000594616323 468637988 /nfs/dbraw/zinc/63/79/88/468637988.db2.gz XKGPUCPFCKPIDM-ZDUSSCGKSA-N 1 2 336.310 2.275 10 5 EEBELO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H](O)C(F)(F)F ZINC000594616323 468637993 /nfs/dbraw/zinc/63/79/93/468637993.db2.gz XKGPUCPFCKPIDM-ZDUSSCGKSA-N 1 2 336.310 2.275 10 5 EEBELO CC(C)(NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000597688313 468639059 /nfs/dbraw/zinc/63/90/59/468639059.db2.gz KWBJHVGLLOVCFD-NSHDSACASA-N 1 2 328.372 2.474 10 5 EEBELO CC(C)(NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000597688313 468639064 /nfs/dbraw/zinc/63/90/64/468639064.db2.gz KWBJHVGLLOVCFD-NSHDSACASA-N 1 2 328.372 2.474 10 5 EEBELO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000595088553 468756326 /nfs/dbraw/zinc/75/63/26/468756326.db2.gz JIYZIHHFHSGGIU-OWCLPIDISA-N 1 2 342.399 2.311 10 5 EEBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C)C1=O ZINC000598111985 468768598 /nfs/dbraw/zinc/76/85/98/468768598.db2.gz BKLUXXQDWWHBBE-VXGBXAGGSA-N 1 2 342.355 2.078 10 5 EEBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000598297616 468824157 /nfs/dbraw/zinc/82/41/57/468824157.db2.gz YWAHYRBDBHVPSM-OLZOCXBDSA-N 1 2 344.371 2.420 10 5 EEBELO Cn1cc([C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C2(CO)CCC2)cn1 ZINC000595501617 468878348 /nfs/dbraw/zinc/87/83/48/468878348.db2.gz WVURKEVVMICJLS-INIZCTEOSA-N 1 2 348.378 2.461 10 5 EEBELO C[C@@]1(C2CC2)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000595618966 468926549 /nfs/dbraw/zinc/92/65/49/468926549.db2.gz XFPBHTMVDPLWNF-KRWDZBQOSA-N 1 2 334.372 2.462 10 5 EEBELO C[C@@]1(C2CC2)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCO1 ZINC000595618966 468926553 /nfs/dbraw/zinc/92/65/53/468926553.db2.gz XFPBHTMVDPLWNF-KRWDZBQOSA-N 1 2 334.372 2.462 10 5 EEBELO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595815342 469025032 /nfs/dbraw/zinc/02/50/32/469025032.db2.gz OJCASXYGPUQOFF-GFCCVEGCSA-N 1 2 333.388 2.227 10 5 EEBELO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595815342 469025035 /nfs/dbraw/zinc/02/50/35/469025035.db2.gz OJCASXYGPUQOFF-GFCCVEGCSA-N 1 2 333.388 2.227 10 5 EEBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598948243 469062238 /nfs/dbraw/zinc/06/22/38/469062238.db2.gz ROOXITYUZHOVFQ-KGLIPLIRSA-N 1 2 328.372 2.101 10 5 EEBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000587051747 469085283 /nfs/dbraw/zinc/08/52/83/469085283.db2.gz SAILOEMROYMQIY-GJZGRUSLSA-N 1 2 342.399 2.491 10 5 EEBELO CN(C[C@H]1CCS(=O)(=O)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599047632 469098200 /nfs/dbraw/zinc/09/82/00/469098200.db2.gz CBEWGMYNBBVLBY-LLVKDONJSA-N 1 2 335.385 2.014 10 5 EEBELO CN(C)C(=O)[C@@H]1CC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])O1 ZINC000599063133 469103893 /nfs/dbraw/zinc/10/38/93/469103893.db2.gz WWDNGBZLEJTKIC-DOMZBBRYSA-N 1 2 344.371 2.191 10 5 EEBELO CS(=O)(=O)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599068387 469104840 /nfs/dbraw/zinc/10/48/40/469104840.db2.gz OLANZULXBHXGLR-LBPRGKRZSA-N 1 2 335.385 2.156 10 5 EEBELO CS(=O)(=O)C[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599078782 469109270 /nfs/dbraw/zinc/10/92/70/469109270.db2.gz AZGPRESIXHQREL-GFCCVEGCSA-N 1 2 349.412 2.404 10 5 EEBELO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599641352 469320307 /nfs/dbraw/zinc/32/03/07/469320307.db2.gz NUMPIZWVGZMAHV-ZDUSSCGKSA-N 1 2 330.344 2.436 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599641352 469320310 /nfs/dbraw/zinc/32/03/10/469320310.db2.gz NUMPIZWVGZMAHV-ZDUSSCGKSA-N 1 2 330.344 2.436 10 5 EEBELO COC[C@@]1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000599699507 469343136 /nfs/dbraw/zinc/34/31/36/469343136.db2.gz SUGYAQNUURZTLQ-QGZVFWFLSA-N 1 2 347.371 2.487 10 5 EEBELO COC[C@@]1(C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000599699507 469343141 /nfs/dbraw/zinc/34/31/41/469343141.db2.gz SUGYAQNUURZTLQ-QGZVFWFLSA-N 1 2 347.371 2.487 10 5 EEBELO O=C(C[NH+]1CCC(c2ccon2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595829220 485610020 /nfs/dbraw/zinc/61/00/20/485610020.db2.gz RPVFFCFULCGHOG-UHFFFAOYSA-N 1 2 330.344 2.401 10 5 EEBELO CC(C)[C@H]1CC[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000755270467 577822743 /nfs/dbraw/zinc/82/27/43/577822743.db2.gz FNTFENBSCAUHTM-ZDUSSCGKSA-N 1 2 332.360 2.347 10 5 EEBELO CC(C)[C@H]1CC[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000755270467 577822744 /nfs/dbraw/zinc/82/27/44/577822744.db2.gz FNTFENBSCAUHTM-ZDUSSCGKSA-N 1 2 332.360 2.347 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000747216207 577940947 /nfs/dbraw/zinc/94/09/47/577940947.db2.gz PHXJOUDBJOCEKQ-UHFFFAOYSA-N 1 2 327.356 2.265 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CCOCC2(C)C)c1 ZINC000747216207 577940948 /nfs/dbraw/zinc/94/09/48/577940948.db2.gz PHXJOUDBJOCEKQ-UHFFFAOYSA-N 1 2 327.356 2.265 10 5 EEBELO COC(=O)[C@@H](CC1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000895589465 684652401 /nfs/dbraw/zinc/65/24/01/684652401.db2.gz AYNRZHGABKJUQC-MRXNPFEDSA-N 1 2 336.388 2.085 10 5 EEBELO CC(=O)c1c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000882277552 1201846098 /nfs/dbraw/zinc/84/60/98/1201846098.db2.gz BTHGGWBGKCVURV-BETUJISGSA-N 1 2 335.404 2.343 10 5 EEBELO CC(=O)c1c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000882277552 1201846099 /nfs/dbraw/zinc/84/60/99/1201846099.db2.gz BTHGGWBGKCVURV-BETUJISGSA-N 1 2 335.404 2.343 10 5 EEBELO COc1cc(C[N@H+](CCS(C)(=O)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000778947894 1208415952 /nfs/dbraw/zinc/41/59/52/1208415952.db2.gz STWDAQNOSSXVNK-UHFFFAOYSA-N 1 2 344.433 2.249 10 5 EEBELO COc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000778947894 1208415954 /nfs/dbraw/zinc/41/59/54/1208415954.db2.gz STWDAQNOSSXVNK-UHFFFAOYSA-N 1 2 344.433 2.249 10 5 EEBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000857981162 1293977461 /nfs/dbraw/zinc/97/74/61/1293977461.db2.gz ANEKOAVHQBORHM-SNVBAGLBSA-N 1 2 338.270 2.268 10 5 EEBELO C[NH+]1CCC2(CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC001119050593 1308981186 /nfs/dbraw/zinc/98/11/86/1308981186.db2.gz LBDLWOWHCDMICL-UHFFFAOYSA-N 1 2 333.388 2.248 10 5 EEBELO Cc1cnc(C)c(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001336906873 1336614579 /nfs/dbraw/zinc/61/45/79/1336614579.db2.gz KKKLGQVDJDPSQS-UHFFFAOYSA-N 1 2 327.388 2.324 10 5 EEBELO O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)c1cc2ccccc2c2cccnc12 ZINC001587874114 1348873702 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CN(CC[N@@H+](C)Cc1cc(Cl)ccc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001496701827 1101299073 /nfs/dbraw/zinc/29/90/73/1101299073.db2.gz IELYGRUHSGPDKP-TZMCWYRMSA-N 1 2 343.786 2.035 10 5 EEBELO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001450064063 1105185081 /nfs/dbraw/zinc/18/50/81/1105185081.db2.gz VSYJOAUYOVBIIJ-JQWIXIFHSA-N 1 2 339.392 2.185 10 5 EEBELO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001450064063 1105185083 /nfs/dbraw/zinc/18/50/83/1105185083.db2.gz VSYJOAUYOVBIIJ-JQWIXIFHSA-N 1 2 339.392 2.185 10 5 EEBELO Cc1n[nH]cc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001469326423 1110489234 /nfs/dbraw/zinc/48/92/34/1110489234.db2.gz LDQBJXMXPKMCJH-UHFFFAOYSA-N 1 2 340.343 2.084 10 5 EEBELO CCC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001473797474 1110581429 /nfs/dbraw/zinc/58/14/29/1110581429.db2.gz QHGLTZGWSAWPMQ-UHFFFAOYSA-N 1 2 332.360 2.227 10 5 EEBELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 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Cc1csc([C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000137018921 463272178 /nfs/dbraw/zinc/27/21/78/463272178.db2.gz GGIWZPMWHCKYMA-GJZGRUSLSA-N 1 2 349.412 2.467 10 5 EEBELO Cc1csc([C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000137018921 463272183 /nfs/dbraw/zinc/27/21/83/463272183.db2.gz GGIWZPMWHCKYMA-GJZGRUSLSA-N 1 2 349.412 2.467 10 5 EEBELO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000127281163 463693260 /nfs/dbraw/zinc/69/32/60/463693260.db2.gz MNYNHOXKPHMBTR-UHFFFAOYSA-N 1 2 344.371 2.129 10 5 EEBELO CC(C)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000189004640 464412880 /nfs/dbraw/zinc/41/28/80/464412880.db2.gz XXCUBINMFGLFNF-CYBMUJFWSA-N 1 2 335.404 2.169 10 5 EEBELO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](c2ccccc2)O1 ZINC000246620126 464605214 /nfs/dbraw/zinc/60/52/14/464605214.db2.gz QNHGGNYOHYOXOD-YOEHRIQHSA-N 1 2 343.383 2.219 10 5 EEBELO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](c2ccccc2)O1 ZINC000246620126 464605218 /nfs/dbraw/zinc/60/52/18/464605218.db2.gz QNHGGNYOHYOXOD-YOEHRIQHSA-N 1 2 343.383 2.219 10 5 EEBELO C[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000371822750 466018747 /nfs/dbraw/zinc/01/87/47/466018747.db2.gz NIJPKPFNALZJNX-UWVGGRQHSA-N 1 2 332.335 2.234 10 5 EEBELO C[C@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000371822750 466018749 /nfs/dbraw/zinc/01/87/49/466018749.db2.gz NIJPKPFNALZJNX-UWVGGRQHSA-N 1 2 332.335 2.234 10 5 EEBELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2Cc2csc([N+](=O)[O-])c2)O1 ZINC000338350894 466052052 /nfs/dbraw/zinc/05/20/52/466052052.db2.gz KSJSCLRLHXGZHS-JHEVNIALSA-N 1 2 340.401 2.340 10 5 EEBELO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2csc([N+](=O)[O-])c2)O1 ZINC000338350894 466052062 /nfs/dbraw/zinc/05/20/62/466052062.db2.gz KSJSCLRLHXGZHS-JHEVNIALSA-N 1 2 340.401 2.340 10 5 EEBELO CN1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1=O ZINC000597215275 468482155 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Cc1nc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001660132765 1354402374 /nfs/dbraw/zinc/40/23/74/1354402374.db2.gz AEWVSWMYXVKHPS-ZYHUDNBSSA-N 1 2 345.359 2.103 10 5 EEBELO CC[C@H](C)[C@@H](C(=O)OC)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001459307654 1110138857 /nfs/dbraw/zinc/13/88/57/1110138857.db2.gz AMFZVOPHESVVQZ-BBRMVZONSA-N 1 2 335.404 2.305 10 5 EEBELO COc1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1[N+](=O)[O-] ZINC001464358556 1110392466 /nfs/dbraw/zinc/39/24/66/1110392466.db2.gz OJZCFCCFOIXWBK-UHFFFAOYSA-N 1 2 326.312 2.410 10 5 EEBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1nccn1C ZINC001470615049 1110508953 /nfs/dbraw/zinc/50/89/53/1110508953.db2.gz HDUQPUZAKUMZHW-NSHDSACASA-N 1 2 340.343 2.005 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001473833178 1110581804 /nfs/dbraw/zinc/58/18/04/1110581804.db2.gz IXUISOQEFKLCIY-ZDUSSCGKSA-N 1 2 341.371 2.121 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001473833178 1110581806 /nfs/dbraw/zinc/58/18/06/1110581806.db2.gz IXUISOQEFKLCIY-ZDUSSCGKSA-N 1 2 341.371 2.121 10 5 EEBELO COCc1cc([N+](=O)[O-])ccc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273463029 256298838 /nfs/dbraw/zinc/29/88/38/256298838.db2.gz GXRPUNGZHMWPKN-UHFFFAOYSA-N 1 2 343.387 2.166 10 5 EEBELO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276023941 256396582 /nfs/dbraw/zinc/39/65/82/256396582.db2.gz BYCIDLXGPJXSPX-GFCCVEGCSA-N 1 2 341.433 2.285 10 5 EEBELO C[C@@H]1CCCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276023941 256396583 /nfs/dbraw/zinc/39/65/83/256396583.db2.gz BYCIDLXGPJXSPX-GFCCVEGCSA-N 1 2 341.433 2.285 10 5 EEBELO C[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)CS(C)(=O)=O ZINC000130407950 292373329 /nfs/dbraw/zinc/37/33/29/292373329.db2.gz SSOIKTBHNSYYKM-LBPRGKRZSA-N 1 2 326.418 2.240 10 5 EEBELO C[C@@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)CS(C)(=O)=O ZINC000130407950 292373331 /nfs/dbraw/zinc/37/33/31/292373331.db2.gz SSOIKTBHNSYYKM-LBPRGKRZSA-N 1 2 326.418 2.240 10 5 EEBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000246250547 160270273 /nfs/dbraw/zinc/27/02/73/160270273.db2.gz JGIBNTFGSHIELM-MSOLQXFVSA-N 1 2 344.367 2.407 10 5 EEBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000246250547 160270275 /nfs/dbraw/zinc/27/02/75/160270275.db2.gz JGIBNTFGSHIELM-MSOLQXFVSA-N 1 2 344.367 2.407 10 5 EEBELO CC[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000421660596 314137650 /nfs/dbraw/zinc/13/76/50/314137650.db2.gz CQYLFIFHGPUKJM-ZIAGYGMSSA-N 1 2 344.371 2.468 10 5 EEBELO CNC(=O)C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339148793 465108722 /nfs/dbraw/zinc/10/87/22/465108722.db2.gz LWSQMYIYUQJIEW-HNNXBMFYSA-N 1 2 329.356 2.267 10 5 EEBELO Cn1cc(C[N@H+](C)Cc2cc[nH]n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353531113 465957908 /nfs/dbraw/zinc/95/79/08/465957908.db2.gz UNISOZRXRMZLCC-UHFFFAOYSA-N 1 2 326.360 2.350 10 5 EEBELO Cn1cc(C[N@@H+](C)Cc2cc[nH]n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353531113 465957914 /nfs/dbraw/zinc/95/79/14/465957914.db2.gz UNISOZRXRMZLCC-UHFFFAOYSA-N 1 2 326.360 2.350 10 5 EEBELO O=[N+]([O-])c1ccc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000301650924 466003892 /nfs/dbraw/zinc/00/38/92/466003892.db2.gz PXSASEUXBQFQAS-IRXDYDNUSA-N 1 2 340.383 2.079 10 5 EEBELO O=[N+]([O-])c1ccc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc1 ZINC000301650924 466003893 /nfs/dbraw/zinc/00/38/93/466003893.db2.gz PXSASEUXBQFQAS-IRXDYDNUSA-N 1 2 340.383 2.079 10 5 EEBELO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206987 468495923 /nfs/dbraw/zinc/49/59/23/468495923.db2.gz JZURAAOEVAFIRX-SZWGIHMLSA-N 1 2 336.413 2.260 10 5 EEBELO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000600206987 468495929 /nfs/dbraw/zinc/49/59/29/468495929.db2.gz JZURAAOEVAFIRX-SZWGIHMLSA-N 1 2 336.413 2.260 10 5 EEBELO COc1cc(C[N@@H+]2CCCc3n[nH]cc3C2)c([N+](=O)[O-])cc1OC ZINC000597258516 468499432 /nfs/dbraw/zinc/49/94/32/468499432.db2.gz OWFDMHJCZJLYPX-UHFFFAOYSA-N 1 2 332.360 2.284 10 5 EEBELO COc1cc(C[N@H+]2CCCc3n[nH]cc3C2)c([N+](=O)[O-])cc1OC ZINC000597258516 468499436 /nfs/dbraw/zinc/49/94/36/468499436.db2.gz OWFDMHJCZJLYPX-UHFFFAOYSA-N 1 2 332.360 2.284 10 5 EEBELO CSc1cccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1[N+](=O)[O-] ZINC000363927614 466656792 /nfs/dbraw/zinc/65/67/92/466656792.db2.gz MTPRKWMPQYLCEZ-VIFPVBQESA-N 1 2 332.385 2.327 10 5 EEBELO CSc1cccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1[N+](=O)[O-] ZINC000363927614 466656796 /nfs/dbraw/zinc/65/67/96/466656796.db2.gz MTPRKWMPQYLCEZ-VIFPVBQESA-N 1 2 332.385 2.327 10 5 EEBELO CC1(C)OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452469982 467383599 /nfs/dbraw/zinc/38/35/99/467383599.db2.gz QHZXHFKLSVLTGJ-AWEZNQCLSA-N 1 2 330.344 2.078 10 5 EEBELO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597856853 468694981 /nfs/dbraw/zinc/69/49/81/468694981.db2.gz BISSMKMDEPFXBM-LLVKDONJSA-N 1 2 331.376 2.074 10 5 EEBELO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000597856853 468694984 /nfs/dbraw/zinc/69/49/84/468694984.db2.gz BISSMKMDEPFXBM-LLVKDONJSA-N 1 2 331.376 2.074 10 5 EEBELO COc1ccnc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1F ZINC000594978632 468736968 /nfs/dbraw/zinc/73/69/68/468736968.db2.gz UFCZMHIWUKILAU-UHFFFAOYSA-N 1 2 349.318 2.199 10 5 EEBELO C[C@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000601101466 468741753 /nfs/dbraw/zinc/74/17/53/468741753.db2.gz RULXQGCSQPGVJD-STQMWFEESA-N 1 2 331.376 2.074 10 5 EEBELO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602851838 469118158 /nfs/dbraw/zinc/11/81/58/469118158.db2.gz YHCMORBVGGTBTQ-TZMCWYRMSA-N 1 2 338.408 2.376 10 5 EEBELO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602851838 469118165 /nfs/dbraw/zinc/11/81/65/469118165.db2.gz YHCMORBVGGTBTQ-TZMCWYRMSA-N 1 2 338.408 2.376 10 5 EEBELO COc1cc(C[N@H+](C)[C@@H]2CCCCN(C)C2=O)c([N+](=O)[O-])cc1F ZINC000601971875 469120120 /nfs/dbraw/zinc/12/01/20/469120120.db2.gz WYSTWEFDGZGMGD-CYBMUJFWSA-N 1 2 339.367 2.185 10 5 EEBELO COc1cc(C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)c([N+](=O)[O-])cc1F ZINC000601971875 469120122 /nfs/dbraw/zinc/12/01/22/469120122.db2.gz WYSTWEFDGZGMGD-CYBMUJFWSA-N 1 2 339.367 2.185 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975241 469121282 /nfs/dbraw/zinc/12/12/82/469121282.db2.gz MNFDGXSZINHUBG-ZDUSSCGKSA-N 1 2 343.330 2.198 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975241 469121288 /nfs/dbraw/zinc/12/12/88/469121288.db2.gz MNFDGXSZINHUBG-ZDUSSCGKSA-N 1 2 343.330 2.198 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977207 469124882 /nfs/dbraw/zinc/12/48/82/469124882.db2.gz SGRAYCPCRFJCKD-GXFFZTMASA-N 1 2 343.330 2.278 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977207 469124884 /nfs/dbraw/zinc/12/48/84/469124884.db2.gz SGRAYCPCRFJCKD-GXFFZTMASA-N 1 2 343.330 2.278 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179854 469185034 /nfs/dbraw/zinc/18/50/34/469185034.db2.gz LRFMRBHZODPVLJ-SECBINFHSA-N 1 2 329.303 2.129 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179854 469185040 /nfs/dbraw/zinc/18/50/40/469185040.db2.gz LRFMRBHZODPVLJ-SECBINFHSA-N 1 2 329.303 2.129 10 5 EEBELO COc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])cc1OC ZINC000179466999 533802054 /nfs/dbraw/zinc/80/20/54/533802054.db2.gz DGLWZWXPUASCNS-CYBMUJFWSA-N 1 2 347.375 2.041 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c([N+](=O)[O-])cc1OC ZINC000179466999 533802071 /nfs/dbraw/zinc/80/20/71/533802071.db2.gz DGLWZWXPUASCNS-CYBMUJFWSA-N 1 2 347.375 2.041 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1COC(=O)CCc1ccc(N)[nH+]c1 ZINC000751441247 577752673 /nfs/dbraw/zinc/75/26/73/577752673.db2.gz AVDNOBKIGXFKLO-UHFFFAOYSA-N 1 2 331.328 2.257 10 5 EEBELO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000866169960 1201454182 /nfs/dbraw/zinc/45/41/82/1201454182.db2.gz ZIONHNQIWQOPGJ-UHFFFAOYSA-N 1 2 336.392 2.208 10 5 EEBELO C[NH+](C)Cc1csc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000927772402 1206301301 /nfs/dbraw/zinc/30/13/01/1206301301.db2.gz RTWMSADGWWQSLP-UHFFFAOYSA-N 1 2 338.364 2.182 10 5 EEBELO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H](C(F)F)CC1=O ZINC000795644171 1214574850 /nfs/dbraw/zinc/57/48/50/1214574850.db2.gz JFIPBARQPNATRI-GFCCVEGCSA-N 1 2 327.331 2.140 10 5 EEBELO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@H](C(F)F)CC1=O ZINC000795644171 1214574855 /nfs/dbraw/zinc/57/48/55/1214574855.db2.gz JFIPBARQPNATRI-GFCCVEGCSA-N 1 2 327.331 2.140 10 5 EEBELO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000842618198 1315734259 /nfs/dbraw/zinc/73/42/59/1315734259.db2.gz WPPAGYOVMBBGDU-YPMHNXCESA-N 1 2 338.408 2.357 10 5 EEBELO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000842618198 1315734262 /nfs/dbraw/zinc/73/42/62/1315734262.db2.gz WPPAGYOVMBBGDU-YPMHNXCESA-N 1 2 338.408 2.357 10 5 EEBELO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1 ZINC001258292183 1319226323 /nfs/dbraw/zinc/22/63/23/1319226323.db2.gz RAHUEUNLAVTVNJ-IAGOWNOFSA-N 1 2 345.443 2.294 10 5 EEBELO Cc1[nH]c(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[nH+]c1C ZINC001621992837 1352376462 /nfs/dbraw/zinc/37/64/62/1352376462.db2.gz YPACJUFOSWVNFL-UHFFFAOYSA-N 1 2 340.343 2.050 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001656384042 1354226547 /nfs/dbraw/zinc/22/65/47/1354226547.db2.gz CTLZJZIRIPGFNM-HEHGZKQESA-N 1 2 338.429 2.331 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001656384042 1354226551 /nfs/dbraw/zinc/22/65/51/1354226551.db2.gz CTLZJZIRIPGFNM-HEHGZKQESA-N 1 2 338.429 2.331 10 5 EEBELO NC(=O)c1ccc(C[N@@H+]2CCOCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000451817580 243279115 /nfs/dbraw/zinc/27/91/15/243279115.db2.gz RZUIQEVLAHZEBC-UHFFFAOYSA-N 1 2 333.388 2.229 10 5 EEBELO NC(=O)c1ccc(C[N@H+]2CCOCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000451817580 243279119 /nfs/dbraw/zinc/27/91/19/243279119.db2.gz RZUIQEVLAHZEBC-UHFFFAOYSA-N 1 2 333.388 2.229 10 5 EEBELO O=C(C[NH+]1CCC(Cn2cccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000105886280 204176821 /nfs/dbraw/zinc/17/68/21/204176821.db2.gz CVKZLKALGHPRBU-UHFFFAOYSA-N 1 2 343.387 2.142 10 5 EEBELO CCOc1cc(C[NH+]2CCN(CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000276947037 256482265 /nfs/dbraw/zinc/48/22/65/256482265.db2.gz SZHXTRMTNLTBNL-UHFFFAOYSA-N 1 2 329.347 2.376 10 5 EEBELO O=C(Nc1ccncc1[N+](=O)[O-])N1CCCN(c2cccc[nH+]2)CC1 ZINC000184140044 160001201 /nfs/dbraw/zinc/00/12/01/160001201.db2.gz RMCOHLNCDMLTCM-UHFFFAOYSA-N 1 2 342.359 2.129 10 5 EEBELO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1c[nH+]c2ccccn12 ZINC000346623958 161386956 /nfs/dbraw/zinc/38/69/56/161386956.db2.gz GFWSSWLIJCARAA-UHFFFAOYSA-N 1 2 337.295 2.108 10 5 EEBELO COc1cc(C[N@H+](C)CC(=O)NCc2cccs2)ccc1[N+](=O)[O-] ZINC000352423211 162129959 /nfs/dbraw/zinc/12/99/59/162129959.db2.gz AHNCXDZUWCJHSM-UHFFFAOYSA-N 1 2 349.412 2.413 10 5 EEBELO COc1cc(C[N@@H+](C)CC(=O)NCc2cccs2)ccc1[N+](=O)[O-] ZINC000352423211 162129962 /nfs/dbraw/zinc/12/99/62/162129962.db2.gz AHNCXDZUWCJHSM-UHFFFAOYSA-N 1 2 349.412 2.413 10 5 EEBELO O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000369180004 166206237 /nfs/dbraw/zinc/20/62/37/166206237.db2.gz HOAKCQIQOHYIFB-INIZCTEOSA-N 1 2 337.395 2.421 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000577933371 320284167 /nfs/dbraw/zinc/28/41/67/320284167.db2.gz MQIORRHSSVLALQ-INIZCTEOSA-N 1 2 338.429 2.304 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000577933371 320284169 /nfs/dbraw/zinc/28/41/69/320284169.db2.gz MQIORRHSSVLALQ-INIZCTEOSA-N 1 2 338.429 2.304 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000131019072 462788219 /nfs/dbraw/zinc/78/82/19/462788219.db2.gz HRMJPKSZZGEMNW-UHFFFAOYSA-N 1 2 335.339 2.099 10 5 EEBELO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1 ZINC000092075297 462924909 /nfs/dbraw/zinc/92/49/09/462924909.db2.gz JJEHYPXBIHKNNI-QGZVFWFLSA-N 1 2 341.367 2.364 10 5 EEBELO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1 ZINC000092075297 462924912 /nfs/dbraw/zinc/92/49/12/462924912.db2.gz JJEHYPXBIHKNNI-QGZVFWFLSA-N 1 2 341.367 2.364 10 5 EEBELO Cc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000058173189 463547627 /nfs/dbraw/zinc/54/76/27/463547627.db2.gz GODBTFNMMJSILY-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO Cc1sc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000279264433 464083025 /nfs/dbraw/zinc/08/30/25/464083025.db2.gz ITRAOOCUUJRYJZ-UHFFFAOYSA-N 1 2 341.433 2.148 10 5 EEBELO Cc1sc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000279264433 464083030 /nfs/dbraw/zinc/08/30/30/464083030.db2.gz ITRAOOCUUJRYJZ-UHFFFAOYSA-N 1 2 341.433 2.148 10 5 EEBELO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1c[nH+]c2ccccn12 ZINC000179983743 464219196 /nfs/dbraw/zinc/21/91/96/464219196.db2.gz YMRFTSOUGBWZBA-UHFFFAOYSA-N 1 2 349.144 2.215 10 5 EEBELO NC(=O)c1cc([N+](=O)[O-])cnc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000301349008 465946719 /nfs/dbraw/zinc/94/67/19/465946719.db2.gz ICEACTNVRPOQSE-UHFFFAOYSA-N 1 2 325.284 2.067 10 5 EEBELO Cn1c[nH+]cc1Cc1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000357951543 466343017 /nfs/dbraw/zinc/34/30/17/466343017.db2.gz QVDZANRGJAASLG-UHFFFAOYSA-N 1 2 338.327 2.374 10 5 EEBELO Cc1cccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594107099 468485992 /nfs/dbraw/zinc/48/59/92/468485992.db2.gz FPDJTFJYXOGJNG-MELADBBJSA-N 1 2 335.404 2.131 10 5 EEBELO Cc1cccc(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594107099 468485997 /nfs/dbraw/zinc/48/59/97/468485997.db2.gz FPDJTFJYXOGJNG-MELADBBJSA-N 1 2 335.404 2.131 10 5 EEBELO O=[N+]([O-])c1ccc2[nH]c(=NC3CCN(c4cccc[nH+]4)CC3)[nH]c2c1 ZINC000427980401 467190785 /nfs/dbraw/zinc/19/07/85/467190785.db2.gz BINRMJGCCZPGJW-UHFFFAOYSA-N 1 2 338.371 2.369 10 5 EEBELO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)nc1 ZINC000450557863 467870119 /nfs/dbraw/zinc/87/01/19/467870119.db2.gz BXWAHJRIIQPEFK-NSHDSACASA-N 1 2 346.416 2.405 10 5 EEBELO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)nc1 ZINC000450557863 467870121 /nfs/dbraw/zinc/87/01/21/467870121.db2.gz BXWAHJRIIQPEFK-NSHDSACASA-N 1 2 346.416 2.405 10 5 EEBELO O=C1[C@H]([N@@H+]2CC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549082476 468169300 /nfs/dbraw/zinc/16/93/00/468169300.db2.gz SBXJQVMNUVCVBZ-QWHCGFSZSA-N 1 2 341.314 2.014 10 5 EEBELO O=C1[C@H]([N@H+]2CC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549082476 468169304 /nfs/dbraw/zinc/16/93/04/468169304.db2.gz SBXJQVMNUVCVBZ-QWHCGFSZSA-N 1 2 341.314 2.014 10 5 EEBELO C[C@H]([C@H](C)Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[NH+]1CCOCC1 ZINC000584109925 468801993 /nfs/dbraw/zinc/80/19/93/468801993.db2.gz KOHQVJOXAHKEDG-QWHCGFSZSA-N 1 2 334.420 2.390 10 5 EEBELO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601431299 468869948 /nfs/dbraw/zinc/86/99/48/468869948.db2.gz JZVWFMMHQBAIIE-NSHDSACASA-N 1 2 347.462 2.070 10 5 EEBELO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601431299 468869953 /nfs/dbraw/zinc/86/99/53/468869953.db2.gz JZVWFMMHQBAIIE-NSHDSACASA-N 1 2 347.462 2.070 10 5 EEBELO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000587045248 469085148 /nfs/dbraw/zinc/08/51/48/469085148.db2.gz KMFLINDEMUVXKL-LLVKDONJSA-N 1 2 337.339 2.084 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977206 469124706 /nfs/dbraw/zinc/12/47/06/469124706.db2.gz SGRAYCPCRFJCKD-GWCFXTLKSA-N 1 2 343.330 2.278 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977206 469124712 /nfs/dbraw/zinc/12/47/12/469124712.db2.gz SGRAYCPCRFJCKD-GWCFXTLKSA-N 1 2 343.330 2.278 10 5 EEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601978320 469125064 /nfs/dbraw/zinc/12/50/64/469125064.db2.gz XYKPULDRVWWDLF-GWCFXTLKSA-N 1 2 343.330 2.278 10 5 EEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601978320 469125071 /nfs/dbraw/zinc/12/50/71/469125071.db2.gz XYKPULDRVWWDLF-GWCFXTLKSA-N 1 2 343.330 2.278 10 5 EEBELO O=C(C[NH+]1CC2(C1)CC(F)(F)C2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000611180870 469186282 /nfs/dbraw/zinc/18/62/82/469186282.db2.gz ZAPSFPPIDPXXIF-UHFFFAOYSA-N 1 2 337.326 2.215 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1C[C@H](O)C12CCC2 ZINC000596511386 469288414 /nfs/dbraw/zinc/28/84/14/469288414.db2.gz POBXJDIDDADTQG-SJORKVTESA-N 1 2 347.415 2.142 10 5 EEBELO O=C(NCC1CCC(O)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598339880 490680946 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C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1csnn1 ZINC001585258508 1348788926 /nfs/dbraw/zinc/78/89/26/1348788926.db2.gz LWVRTWZUBJQXJG-SECBINFHSA-N 1 2 344.356 2.123 10 5 EEBELO Cc1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c1[N+](=O)[O-] ZINC001628097082 1352520696 /nfs/dbraw/zinc/52/06/96/1352520696.db2.gz RFEXGKOFFQSMHJ-UHFFFAOYSA-N 1 2 326.316 2.373 10 5 EEBELO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC001660133418 1354402615 /nfs/dbraw/zinc/40/26/15/1354402615.db2.gz LJFUUIPQCUAATQ-JQWIXIFHSA-N 1 2 345.359 2.103 10 5 EEBELO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)no1 ZINC001660133418 1354402617 /nfs/dbraw/zinc/40/26/17/1354402617.db2.gz LJFUUIPQCUAATQ-JQWIXIFHSA-N 1 2 345.359 2.103 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2cnccn2)[C@@H](C)C1 ZINC001177014996 798696350 /nfs/dbraw/zinc/69/63/50/798696350.db2.gz DQWHWBMTBWQGSP-ZDUSSCGKSA-N 1 2 343.387 2.104 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2cnccn2)[C@@H](C)C1 ZINC001177014996 798696353 /nfs/dbraw/zinc/69/63/53/798696353.db2.gz DQWHWBMTBWQGSP-ZDUSSCGKSA-N 1 2 343.387 2.104 10 5 EEBELO O=C(Nc1ccn2nccc2n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001130391379 811576046 /nfs/dbraw/zinc/57/60/46/811576046.db2.gz ZEUHJUFMZMEZOL-UHFFFAOYSA-N 1 2 349.310 2.076 10 5 EEBELO CC[C@H](C)[C@H](C(=O)OC)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001459307659 1110138875 /nfs/dbraw/zinc/13/88/75/1110138875.db2.gz AMFZVOPHESVVQZ-XJKSGUPXSA-N 1 2 335.404 2.305 10 5 EEBELO Cc1[nH+]c[nH]c1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001465251464 1110414372 /nfs/dbraw/zinc/41/43/72/1110414372.db2.gz NHMYAYGQYPHIQF-OAHLLOKOSA-N 1 2 332.385 2.443 10 5 EEBELO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000424998102 241105840 /nfs/dbraw/zinc/10/58/40/241105840.db2.gz HOIDOQZRTGOJSF-UHFFFAOYSA-N 1 2 341.433 2.148 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000191789838 256006664 /nfs/dbraw/zinc/00/66/64/256006664.db2.gz JYIYALTZEJOVQA-UHFFFAOYSA-N 1 2 347.375 2.104 10 5 EEBELO C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000344778990 161245017 /nfs/dbraw/zinc/24/50/17/161245017.db2.gz SXIRVPZNFMRWNM-GFCCVEGCSA-N 1 2 333.388 2.247 10 5 EEBELO C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000344778990 161245018 /nfs/dbraw/zinc/24/50/18/161245018.db2.gz SXIRVPZNFMRWNM-GFCCVEGCSA-N 1 2 333.388 2.247 10 5 EEBELO COc1cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000352766899 162279024 /nfs/dbraw/zinc/27/90/24/162279024.db2.gz DPEPFFXGDOHTGI-NUEKZKHPSA-N 1 2 336.388 2.372 10 5 EEBELO COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1[N+](=O)[O-] ZINC000352766899 162279027 /nfs/dbraw/zinc/27/90/27/162279027.db2.gz DPEPFFXGDOHTGI-NUEKZKHPSA-N 1 2 336.388 2.372 10 5 EEBELO Cc1c(Br)c(NCCc2cn(C)c[nH+]2)ncc1[N+](=O)[O-] ZINC000313487574 311587423 /nfs/dbraw/zinc/58/74/23/311587423.db2.gz 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ZINC000053561382 463174355 /nfs/dbraw/zinc/17/43/55/463174355.db2.gz KEVZJWIZNZBHAI-UHFFFAOYSA-N 1 2 329.360 2.028 10 5 EEBELO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173936060 464335107 /nfs/dbraw/zinc/33/51/07/464335107.db2.gz YXPMURGZHNXDDV-QGZVFWFLSA-N 1 2 349.431 2.289 10 5 EEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000182286667 464619774 /nfs/dbraw/zinc/61/97/74/464619774.db2.gz OHGJUNKRDMIPEZ-WYMLVPIESA-N 1 2 347.415 2.225 10 5 EEBELO Cn1nccc1C1=CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000285676211 464654203 /nfs/dbraw/zinc/65/42/03/464654203.db2.gz QSVRCKRWLDNEPM-UHFFFAOYSA-N 1 2 341.371 2.056 10 5 EEBELO Cn1nccc1C1=CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000285676211 464654207 /nfs/dbraw/zinc/65/42/07/464654207.db2.gz QSVRCKRWLDNEPM-UHFFFAOYSA-N 1 2 341.371 2.056 10 5 EEBELO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286444114 464921252 /nfs/dbraw/zinc/92/12/52/464921252.db2.gz 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EEBELO C[C@H]1CN(CCO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449784747 467714659 /nfs/dbraw/zinc/71/46/59/467714659.db2.gz CFOHJBKGASPWJA-AWEZNQCLSA-N 1 2 345.399 2.353 10 5 EEBELO C[C@H]1CN(CCO)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449784747 467714660 /nfs/dbraw/zinc/71/46/60/467714660.db2.gz CFOHJBKGASPWJA-AWEZNQCLSA-N 1 2 345.399 2.353 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593051034 468852382 /nfs/dbraw/zinc/85/23/82/468852382.db2.gz RVZUUEULOXLEIW-UHFFFAOYSA-N 1 2 333.388 2.079 10 5 EEBELO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598541004 468907481 /nfs/dbraw/zinc/90/74/81/468907481.db2.gz LSZBSMYABUQGRR-UHFFFAOYSA-N 1 2 333.388 2.152 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595624527 468927787 /nfs/dbraw/zinc/92/77/87/468927787.db2.gz BWRRWQKWYVGARY-YVEFUNNKSA-N 1 2 333.388 2.423 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595624527 468927789 /nfs/dbraw/zinc/92/77/89/468927789.db2.gz BWRRWQKWYVGARY-YVEFUNNKSA-N 1 2 333.388 2.423 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179855 469185336 /nfs/dbraw/zinc/18/53/36/469185336.db2.gz LRFMRBHZODPVLJ-VIFPVBQESA-N 1 2 329.303 2.129 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179855 469185339 /nfs/dbraw/zinc/18/53/39/469185339.db2.gz LRFMRBHZODPVLJ-VIFPVBQESA-N 1 2 329.303 2.129 10 5 EEBELO CN(C)c1c[nH+]ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000614050586 469838111 /nfs/dbraw/zinc/83/81/11/469838111.db2.gz OYYBZWCLISYFDX-UHFFFAOYSA-N 1 2 332.385 2.209 10 5 EEBELO Cc1nc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000189791130 534571752 /nfs/dbraw/zinc/57/17/52/534571752.db2.gz ZGBYHQCIEOPPNG-AWEZNQCLSA-N 1 2 334.401 2.359 10 5 EEBELO Cc1nc([C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cs1 ZINC000189791130 534571755 /nfs/dbraw/zinc/57/17/55/534571755.db2.gz ZGBYHQCIEOPPNG-AWEZNQCLSA-N 1 2 334.401 2.359 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767599244 577540851 /nfs/dbraw/zinc/54/08/51/577540851.db2.gz RXSFFKXXOQPLCO-DFXPUQADSA-N 1 2 346.383 2.405 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767599244 577540852 /nfs/dbraw/zinc/54/08/52/577540852.db2.gz RXSFFKXXOQPLCO-DFXPUQADSA-N 1 2 346.383 2.405 10 5 EEBELO CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001671002395 1193542820 /nfs/dbraw/zinc/54/28/20/1193542820.db2.gz USBKCHVLHOOMIX-CALCHBBNSA-N 1 2 347.415 2.197 10 5 EEBELO CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001671002395 1193542823 /nfs/dbraw/zinc/54/28/23/1193542823.db2.gz USBKCHVLHOOMIX-CALCHBBNSA-N 1 2 347.415 2.197 10 5 EEBELO O=[N+]([O-])c1nn(Cc2[nH+]ccn2CC(F)F)cc1Br ZINC000871649822 1197807935 /nfs/dbraw/zinc/80/79/35/1197807935.db2.gz LHVSSNGATMZWCZ-UHFFFAOYSA-N 1 2 336.096 2.064 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000779216643 1209376259 /nfs/dbraw/zinc/37/62/59/1209376259.db2.gz IPNKLGVAODXVME-GAJOTYCWSA-N 1 2 326.356 2.326 10 5 EEBELO C/C(=C\C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000900968311 1235059938 /nfs/dbraw/zinc/05/99/38/1235059938.db2.gz RDHOXUQZCRTSGN-VOMSXAGXSA-N 1 2 347.415 2.359 10 5 EEBELO O=C(CC[N@@H+]1CCO[C@H](C(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801559193 1235836129 /nfs/dbraw/zinc/83/61/29/1235836129.db2.gz FQRPEURLZXFKEA-LBPRGKRZSA-N 1 2 347.293 2.028 10 5 EEBELO O=C(CC[N@H+]1CCO[C@H](C(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801559193 1235836131 /nfs/dbraw/zinc/83/61/31/1235836131.db2.gz FQRPEURLZXFKEA-LBPRGKRZSA-N 1 2 347.293 2.028 10 5 EEBELO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000852778052 1292195116 /nfs/dbraw/zinc/19/51/16/1292195116.db2.gz DPFPHYJSKKMCJK-WDBKCZKBSA-N 1 2 330.331 2.373 10 5 EEBELO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000852778052 1292195123 /nfs/dbraw/zinc/19/51/23/1292195123.db2.gz DPFPHYJSKKMCJK-WDBKCZKBSA-N 1 2 330.331 2.373 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1c2cc[nH+]cc2C[C@@H]1C ZINC000857901092 1293947525 /nfs/dbraw/zinc/94/75/25/1293947525.db2.gz HYRFIEZKKDCLGD-JTQLQIEISA-N 1 2 349.368 2.138 10 5 EEBELO C/C(=C\C(=O)N[C@@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000857944761 1293962586 /nfs/dbraw/zinc/96/25/86/1293962586.db2.gz MPLVRHRHJBNEKZ-CEFACKQISA-N 1 2 326.356 2.326 10 5 EEBELO CNC(=O)c1ccc(NCCCN(C)c2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC001163997031 1321266950 /nfs/dbraw/zinc/26/69/50/1321266950.db2.gz VSPXVXKLXCDXBA-UHFFFAOYSA-N 1 2 343.387 2.288 10 5 EEBELO O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001639052529 1352693666 /nfs/dbraw/zinc/69/36/66/1352693666.db2.gz YTXLQJOVYWTFMV-AEGPPILISA-N 1 2 326.356 2.026 10 5 EEBELO Cc1cc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001643072967 1352740707 /nfs/dbraw/zinc/74/07/07/1352740707.db2.gz PEPQAYCYJSSGNP-UHFFFAOYSA-N 1 2 343.339 2.114 10 5 EEBELO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001648531194 1353432914 /nfs/dbraw/zinc/43/29/14/1353432914.db2.gz QENQCSSNABWBHV-CYBMUJFWSA-N 1 2 344.375 2.191 10 5 EEBELO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001648531194 1353432916 /nfs/dbraw/zinc/43/29/16/1353432916.db2.gz QENQCSSNABWBHV-CYBMUJFWSA-N 1 2 344.375 2.191 10 5 EEBELO CNc1c(C(=O)NCc2nc(C[NH+](C)C)cs2)cccc1[N+](=O)[O-] ZINC001652096964 1354076782 /nfs/dbraw/zinc/07/67/82/1354076782.db2.gz SAJJIHGOAMGDOB-UHFFFAOYSA-N 1 2 349.416 2.085 10 5 EEBELO CC[N@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001663403115 1354957909 /nfs/dbraw/zinc/95/79/09/1354957909.db2.gz AAFJHRIPTUTQSN-UHFFFAOYSA-N 1 2 340.380 2.375 10 5 EEBELO CC[N@@H+](CCNC(=O)c1cc(F)c[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001663403115 1354957911 /nfs/dbraw/zinc/95/79/11/1354957911.db2.gz AAFJHRIPTUTQSN-UHFFFAOYSA-N 1 2 340.380 2.375 10 5 EEBELO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001136367181 786431115 /nfs/dbraw/zinc/43/11/15/786431115.db2.gz KIZKBTSGZLRULH-INIZCTEOSA-N 1 2 343.387 2.057 10 5 EEBELO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001136367181 786431124 /nfs/dbraw/zinc/43/11/24/786431124.db2.gz KIZKBTSGZLRULH-INIZCTEOSA-N 1 2 343.387 2.057 10 5 EEBELO Cc1ccc(C[NH2+]C2(c3ncccn3)CCOCC2)cc1[N+](=O)[O-] ZINC000923009457 788548273 /nfs/dbraw/zinc/54/82/73/788548273.db2.gz TYSQALQNLMRPHV-UHFFFAOYSA-N 1 2 328.372 2.489 10 5 EEBELO C/C(=C\C(=O)N[C@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000804333247 803883312 /nfs/dbraw/zinc/88/33/12/803883312.db2.gz WQWOAFYULPIWBE-BCNIOPEESA-N 1 2 326.356 2.326 10 5 EEBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000446333033 242180337 /nfs/dbraw/zinc/18/03/37/242180337.db2.gz PWCXPDHDEDRDBR-LLVKDONJSA-N 1 2 334.763 2.498 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000451912042 243311403 /nfs/dbraw/zinc/31/14/03/243311403.db2.gz QPPZNEIOYLYZTR-SDBXPKJASA-N 1 2 345.277 2.481 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)nc2c1 ZINC000451912042 243311410 /nfs/dbraw/zinc/31/14/10/243311410.db2.gz QPPZNEIOYLYZTR-SDBXPKJASA-N 1 2 345.277 2.481 10 5 EEBELO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459167913 245018532 /nfs/dbraw/zinc/01/85/32/245018532.db2.gz FVOWZJWXSCONLF-UHFFFAOYSA-N 1 2 345.403 2.491 10 5 EEBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@](O)(CO)C3)cs2)c1 ZINC000459724200 245223944 /nfs/dbraw/zinc/22/39/44/245223944.db2.gz PQXKCLBPMBCECF-INIZCTEOSA-N 1 2 349.412 2.038 10 5 EEBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@](O)(CO)C3)cs2)c1 ZINC000459724200 245223948 /nfs/dbraw/zinc/22/39/48/245223948.db2.gz PQXKCLBPMBCECF-INIZCTEOSA-N 1 2 349.412 2.038 10 5 EEBELO CC(=O)N[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089886140 292213416 /nfs/dbraw/zinc/21/34/16/292213416.db2.gz RWMSEZAGISNAMF-AWEZNQCLSA-N 1 2 344.371 2.350 10 5 EEBELO CC(=O)N[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089886140 292213418 /nfs/dbraw/zinc/21/34/18/292213418.db2.gz RWMSEZAGISNAMF-AWEZNQCLSA-N 1 2 344.371 2.350 10 5 EEBELO C[NH+](C)Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1F ZINC000115716023 152037272 /nfs/dbraw/zinc/03/72/72/152037272.db2.gz IIQJOADYGHSGLG-UHFFFAOYSA-N 1 2 347.346 2.431 10 5 EEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000248775698 160360198 /nfs/dbraw/zinc/36/01/98/160360198.db2.gz BDEPXHLVKLHIFL-IOASZLSFSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000248775698 160360199 /nfs/dbraw/zinc/36/01/99/160360199.db2.gz BDEPXHLVKLHIFL-IOASZLSFSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000360155831 164245915 /nfs/dbraw/zinc/24/59/15/164245915.db2.gz FZALBUSAKYJFIH-UHFFFAOYSA-N 1 2 330.344 2.455 10 5 EEBELO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272288518 274167020 /nfs/dbraw/zinc/16/70/20/274167020.db2.gz DZNAINDVCATFEB-IUODEOHRSA-N 1 2 335.404 2.262 10 5 EEBELO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000272288518 274167022 /nfs/dbraw/zinc/16/70/22/274167022.db2.gz DZNAINDVCATFEB-IUODEOHRSA-N 1 2 335.404 2.262 10 5 EEBELO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280757845 274594980 /nfs/dbraw/zinc/59/49/80/274594980.db2.gz LFZQTWWHHJFNSC-JHJVBQTASA-N 1 2 335.404 2.397 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000294012634 293349845 /nfs/dbraw/zinc/34/98/45/293349845.db2.gz UIXQNSFPGUWMMM-UHFFFAOYSA-N 1 2 349.412 2.183 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000294012634 293349847 /nfs/dbraw/zinc/34/98/47/293349847.db2.gz UIXQNSFPGUWMMM-UHFFFAOYSA-N 1 2 349.412 2.183 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000294049006 293358081 /nfs/dbraw/zinc/35/80/81/293358081.db2.gz WWMUZRZHNRMJDO-ZDUSSCGKSA-N 1 2 326.418 2.160 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000294049006 293358083 /nfs/dbraw/zinc/35/80/83/293358083.db2.gz WWMUZRZHNRMJDO-ZDUSSCGKSA-N 1 2 326.418 2.160 10 5 EEBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420996820 314018601 /nfs/dbraw/zinc/01/86/01/314018601.db2.gz RENDJYGSDASUCS-ZDUSSCGKSA-N 1 2 333.388 2.221 10 5 EEBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420996820 314018603 /nfs/dbraw/zinc/01/86/03/314018603.db2.gz RENDJYGSDASUCS-ZDUSSCGKSA-N 1 2 333.388 2.221 10 5 EEBELO Cc1cc([C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)ccc1F ZINC000128562312 462653148 /nfs/dbraw/zinc/65/31/48/462653148.db2.gz PNFDPGIKVYRPIE-OAHLLOKOSA-N 1 2 334.351 2.312 10 5 EEBELO Cc1cc([C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CCO2)ccc1F ZINC000128562312 462653151 /nfs/dbraw/zinc/65/31/51/462653151.db2.gz PNFDPGIKVYRPIE-OAHLLOKOSA-N 1 2 334.351 2.312 10 5 EEBELO O=[N+]([O-])c1cccnc1N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000089835010 462726455 /nfs/dbraw/zinc/72/64/55/462726455.db2.gz CNFYPUVKXVAZRI-IRXDYDNUSA-N 1 2 340.383 2.079 10 5 EEBELO O=[N+]([O-])c1cccnc1N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000089835010 462726459 /nfs/dbraw/zinc/72/64/59/462726459.db2.gz CNFYPUVKXVAZRI-IRXDYDNUSA-N 1 2 340.383 2.079 10 5 EEBELO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000075711256 462751433 /nfs/dbraw/zinc/75/14/33/462751433.db2.gz KNZZJPIZVJQOKR-UHFFFAOYSA-N 1 2 328.250 2.284 10 5 EEBELO CCc1noc([C@H](C)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000105865070 463481140 /nfs/dbraw/zinc/48/11/40/463481140.db2.gz BARRYSMGHZMNIV-ZDUSSCGKSA-N 1 2 345.403 2.419 10 5 EEBELO COc1cc(C[NH2+][C@@H](C)c2nnc3ccccn32)ccc1[N+](=O)[O-] ZINC000348197880 465484415 /nfs/dbraw/zinc/48/44/15/465484415.db2.gz GRHVAVCEEASRFE-NSHDSACASA-N 1 2 327.344 2.497 10 5 EEBELO Cc1cc(OCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000366624805 465839579 /nfs/dbraw/zinc/83/95/79/465839579.db2.gz RWRXHNCXEXTUJZ-UHFFFAOYSA-N 1 2 344.371 2.411 10 5 EEBELO Cc1cc(OCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000366624805 465839584 /nfs/dbraw/zinc/83/95/84/465839584.db2.gz RWRXHNCXEXTUJZ-UHFFFAOYSA-N 1 2 344.371 2.411 10 5 EEBELO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373478875 466816738 /nfs/dbraw/zinc/81/67/38/466816738.db2.gz HZMDDLQTTWRFJE-WMLDXEAASA-N 1 2 336.388 2.373 10 5 EEBELO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373478875 466816744 /nfs/dbraw/zinc/81/67/44/466816744.db2.gz HZMDDLQTTWRFJE-WMLDXEAASA-N 1 2 336.388 2.373 10 5 EEBELO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600440908 468559755 /nfs/dbraw/zinc/55/97/55/468559755.db2.gz MDDWWAKAZHRQAF-JBBSTSQOSA-N 1 2 344.371 2.322 10 5 EEBELO COc1c(C)[nH+]cnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000594540297 468617343 /nfs/dbraw/zinc/61/73/43/468617343.db2.gz AYQTWROLPQHAGV-UHFFFAOYSA-N 1 2 329.360 2.028 10 5 EEBELO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595681919 468952829 /nfs/dbraw/zinc/95/28/29/468952829.db2.gz OURBBOAGIMSKQB-ZDUSSCGKSA-N 1 2 345.399 2.127 10 5 EEBELO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595681919 468952833 /nfs/dbraw/zinc/95/28/33/468952833.db2.gz OURBBOAGIMSKQB-ZDUSSCGKSA-N 1 2 345.399 2.127 10 5 EEBELO CCc1cc(N)nc(SCc2cc(C(=O)OC)ccc2[N+](=O)[O-])[nH+]1 ZINC000593421982 468971185 /nfs/dbraw/zinc/97/11/85/468971185.db2.gz FSOROJDOOMWHEG-UHFFFAOYSA-N 1 2 348.384 2.608 10 5 EEBELO CN(C)C(=O)[C@H]1CC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])O1 ZINC000599063134 469103687 /nfs/dbraw/zinc/10/36/87/469103687.db2.gz WWDNGBZLEJTKIC-IUODEOHRSA-N 1 2 344.371 2.191 10 5 EEBELO O=[N+]([O-])c1cncc(Cl)c1NCc1[nH+]ccn1CC(F)(F)F ZINC000596111018 469158933 /nfs/dbraw/zinc/15/89/33/469158933.db2.gz UPBJKBRNJDWNOU-UHFFFAOYSA-N 1 2 335.673 2.436 10 5 EEBELO CCOc1ccc(NC(=O)C[N@@H+]2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000618318283 469960370 /nfs/dbraw/zinc/96/03/70/469960370.db2.gz NUVGCFSWFVCFDC-UHFFFAOYSA-N 1 2 349.387 2.187 10 5 EEBELO CCOc1ccc(NC(=O)C[N@H+]2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000618318283 469960375 /nfs/dbraw/zinc/96/03/75/469960375.db2.gz NUVGCFSWFVCFDC-UHFFFAOYSA-N 1 2 349.387 2.187 10 5 EEBELO CC(C)[C@@H]1CC[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000755270464 577822762 /nfs/dbraw/zinc/82/27/62/577822762.db2.gz FNTFENBSCAUHTM-CYBMUJFWSA-N 1 2 332.360 2.347 10 5 EEBELO CC(C)[C@@H]1CC[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C1 ZINC000755270464 577822763 /nfs/dbraw/zinc/82/27/63/577822763.db2.gz FNTFENBSCAUHTM-CYBMUJFWSA-N 1 2 332.360 2.347 10 5 EEBELO Cc1cn(C(C)(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000896279538 684926129 /nfs/dbraw/zinc/92/61/29/684926129.db2.gz BBUFGMHWMUFBBF-UHFFFAOYSA-N 1 2 332.360 2.030 10 5 EEBELO COc1cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])cc1F ZINC000852297840 1292079381 /nfs/dbraw/zinc/07/93/81/1292079381.db2.gz OUYTXDVWCHRSAD-UHFFFAOYSA-N 1 2 335.335 2.112 10 5 EEBELO COc1cc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c([N+](=O)[O-])cc1F ZINC000852297840 1292079389 /nfs/dbraw/zinc/07/93/89/1292079389.db2.gz OUYTXDVWCHRSAD-UHFFFAOYSA-N 1 2 335.335 2.112 10 5 EEBELO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001333206959 1335982618 /nfs/dbraw/zinc/98/26/18/1335982618.db2.gz FKDRDYLMYMHELV-GFCCVEGCSA-N 1 2 327.178 2.314 10 5 EEBELO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001333206959 1335982622 /nfs/dbraw/zinc/98/26/22/1335982622.db2.gz FKDRDYLMYMHELV-GFCCVEGCSA-N 1 2 327.178 2.314 10 5 EEBELO CN(CC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001162412940 1320849263 /nfs/dbraw/zinc/84/92/63/1320849263.db2.gz FXADQCPYYQZKRL-UHFFFAOYSA-N 1 2 333.310 2.382 10 5 EEBELO Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001596764649 1349911640 /nfs/dbraw/zinc/91/16/40/1349911640.db2.gz UUPBQAWWSVVAPQ-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO C[N@@H+]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@@H](c2ccccc2)C1 ZINC001623862614 1352407856 /nfs/dbraw/zinc/40/78/56/1352407856.db2.gz AJVMCPBMSWZWOW-LLVKDONJSA-N 1 2 349.778 2.100 10 5 EEBELO C[N@H+]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@@H](c2ccccc2)C1 ZINC001623862614 1352407858 /nfs/dbraw/zinc/40/78/58/1352407858.db2.gz AJVMCPBMSWZWOW-LLVKDONJSA-N 1 2 349.778 2.100 10 5 EEBELO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3ccncc3[N+](=O)[O-])C2)cc1 ZINC001651341003 1354049393 /nfs/dbraw/zinc/04/93/93/1354049393.db2.gz WNGPABABXBFLMW-MRXNPFEDSA-N 1 2 342.399 2.033 10 5 EEBELO Cc1ccc(C[N@H+]2CCO[C@H](CNc3ccncc3[N+](=O)[O-])C2)cc1 ZINC001651341003 1354049397 /nfs/dbraw/zinc/04/93/97/1354049397.db2.gz WNGPABABXBFLMW-MRXNPFEDSA-N 1 2 342.399 2.033 10 5 EEBELO O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001654687374 1354155682 /nfs/dbraw/zinc/15/56/82/1354155682.db2.gz RSGSRRPPTJGGES-VXGBXAGGSA-N 1 2 338.327 2.450 10 5 EEBELO O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001654687374 1354155685 /nfs/dbraw/zinc/15/56/85/1354155685.db2.gz RSGSRRPPTJGGES-VXGBXAGGSA-N 1 2 338.327 2.450 10 5 EEBELO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1noc(C)n1 ZINC001658190899 1354356540 /nfs/dbraw/zinc/35/65/40/1354356540.db2.gz QGBZTAXREMCCIZ-LLVKDONJSA-N 1 2 333.348 2.356 10 5 EEBELO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CCC[C@H](O)C2)o1 ZINC001169971707 804721371 /nfs/dbraw/zinc/72/13/71/804721371.db2.gz WIUBVMBHAJGJKN-JTQLQIEISA-N 1 2 338.751 2.255 10 5 EEBELO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2CCC[C@H](O)C2)o1 ZINC001169971707 804721378 /nfs/dbraw/zinc/72/13/78/804721378.db2.gz WIUBVMBHAJGJKN-JTQLQIEISA-N 1 2 338.751 2.255 10 5 EEBELO CN(C)c1[nH+]ccc2cc(NC(=O)c3c([N+](=O)[O-])cnn3C)ccc21 ZINC001449810949 1104957982 /nfs/dbraw/zinc/95/79/82/1104957982.db2.gz BHKFIUFHVLQZPU-UHFFFAOYSA-N 1 2 340.343 2.195 10 5 EEBELO Cc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)cc[nH+]1 ZINC001458481265 1109880469 /nfs/dbraw/zinc/88/04/69/1109880469.db2.gz WSBGCXAMZQYISO-UHFFFAOYSA-N 1 2 329.312 2.134 10 5 EEBELO Cc1[nH+]ccn1-c1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cn1 ZINC001464216683 1110389481 /nfs/dbraw/zinc/38/94/81/1110389481.db2.gz LVXUGSXWWOATMJ-UHFFFAOYSA-N 1 2 347.722 2.113 10 5 EEBELO C[N@@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000367701552 283131331 /nfs/dbraw/zinc/13/13/31/283131331.db2.gz ZKHJQLDSLRIMEW-RDJZCZTQSA-N 1 2 341.367 2.476 10 5 EEBELO C[N@H+]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000367701552 283131335 /nfs/dbraw/zinc/13/13/35/283131335.db2.gz ZKHJQLDSLRIMEW-RDJZCZTQSA-N 1 2 341.367 2.476 10 5 EEBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)Nc1ccncc1[N+](=O)[O-] ZINC000359032276 164041694 /nfs/dbraw/zinc/04/16/94/164041694.db2.gz OQQNATOGFDKGHT-UHFFFAOYSA-N 1 2 346.734 2.035 10 5 EEBELO CC[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000421678240 314140217 /nfs/dbraw/zinc/14/02/17/314140217.db2.gz ZFVXXVZNQGDZBV-KBPBESRZSA-N 1 2 344.371 2.468 10 5 EEBELO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531882645 317826413 /nfs/dbraw/zinc/82/64/13/317826413.db2.gz SLOWBXFSTBBVAK-UHFFFAOYSA-N 1 2 342.355 2.074 10 5 EEBELO Cc1noc(C)c1C[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000091890157 462911862 /nfs/dbraw/zinc/91/18/62/462911862.db2.gz MWRZNBGUANKTHI-UHFFFAOYSA-N 1 2 346.387 2.223 10 5 EEBELO COC(=O)c1cc(C)nc(NCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000287607658 463943146 /nfs/dbraw/zinc/94/31/46/463943146.db2.gz FXBRSDGLDXFXQM-UHFFFAOYSA-N 1 2 330.344 2.443 10 5 EEBELO COc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192633542 464964174 /nfs/dbraw/zinc/96/41/74/464964174.db2.gz IWSHEENXOGYDCW-UHFFFAOYSA-N 1 2 343.383 2.352 10 5 EEBELO COc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000192633542 464964177 /nfs/dbraw/zinc/96/41/77/464964177.db2.gz IWSHEENXOGYDCW-UHFFFAOYSA-N 1 2 343.383 2.352 10 5 EEBELO Cc1ccc[nH+]c1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000295849134 464985472 /nfs/dbraw/zinc/98/54/72/464985472.db2.gz XJOPSKBIBSHAHL-UHFFFAOYSA-N 1 2 341.414 2.418 10 5 EEBELO CN(C)c1ccc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000357963690 466350028 /nfs/dbraw/zinc/35/00/28/466350028.db2.gz JKCYXSSTZDNCDG-UHFFFAOYSA-N 1 2 340.343 2.195 10 5 EEBELO NC(=O)[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411975787 466954191 /nfs/dbraw/zinc/95/41/91/466954191.db2.gz YYLYTQJEGLUPTC-JKSUJKDBSA-N 1 2 341.367 2.001 10 5 EEBELO NC(=O)[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411975787 466954193 /nfs/dbraw/zinc/95/41/93/466954193.db2.gz YYLYTQJEGLUPTC-JKSUJKDBSA-N 1 2 341.367 2.001 10 5 EEBELO Cn1cc[nH+]c1CN1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432319438 467230389 /nfs/dbraw/zinc/23/03/89/467230389.db2.gz GASISZDSYLODNJ-UHFFFAOYSA-N 1 2 335.795 2.304 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000449527629 467657572 /nfs/dbraw/zinc/65/75/72/467657572.db2.gz JVWHYNFBSMCQSL-HNNXBMFYSA-N 1 2 326.418 2.302 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000449527629 467657574 /nfs/dbraw/zinc/65/75/74/467657574.db2.gz JVWHYNFBSMCQSL-HNNXBMFYSA-N 1 2 326.418 2.302 10 5 EEBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457857458 467718430 /nfs/dbraw/zinc/71/84/30/467718430.db2.gz MHGXZLPWYRZVPD-AWEZNQCLSA-N 1 2 330.388 2.256 10 5 EEBELO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000457035104 467736196 /nfs/dbraw/zinc/73/61/96/467736196.db2.gz WHARMCOLALECLK-ZDUSSCGKSA-N 1 2 343.387 2.228 10 5 EEBELO CC(C)c1[nH]nc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000457035104 467736197 /nfs/dbraw/zinc/73/61/97/467736197.db2.gz WHARMCOLALECLK-ZDUSSCGKSA-N 1 2 343.387 2.228 10 5 EEBELO Cc1cc[nH+]cc1N1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601546824 468914645 /nfs/dbraw/zinc/91/46/45/468914645.db2.gz PRLWIHRJCQFRHN-UHFFFAOYSA-N 1 2 344.346 2.400 10 5 EEBELO O=C(N[C@H]1CCc2c[nH+]cn2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601576040 468925237 /nfs/dbraw/zinc/92/52/37/468925237.db2.gz LNMCDXIDNWLOSY-AWEZNQCLSA-N 1 2 340.383 2.344 10 5 EEBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756517 468992491 /nfs/dbraw/zinc/99/24/91/468992491.db2.gz ICOXQDJMQPWZJW-GXFFZTMASA-N 1 2 327.178 2.314 10 5 EEBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756517 468992493 /nfs/dbraw/zinc/99/24/93/468992493.db2.gz ICOXQDJMQPWZJW-GXFFZTMASA-N 1 2 327.178 2.314 10 5 EEBELO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595781473 469006130 /nfs/dbraw/zinc/00/61/30/469006130.db2.gz ULLCQQKAEBOWRE-NEPJUHHUSA-N 1 2 337.376 2.041 10 5 EEBELO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595781473 469006136 /nfs/dbraw/zinc/00/61/36/469006136.db2.gz ULLCQQKAEBOWRE-NEPJUHHUSA-N 1 2 337.376 2.041 10 5 EEBELO CC(C)(C)c1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598944544 469061428 /nfs/dbraw/zinc/06/14/28/469061428.db2.gz PNQMXKKNGYNWGR-GFCCVEGCSA-N 1 2 328.372 2.444 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000599180064 469151955 /nfs/dbraw/zinc/15/19/55/469151955.db2.gz IUMGMMVPBUKKLT-QAPCUYQASA-N 1 2 347.415 2.406 10 5 EEBELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000733969834 577268757 /nfs/dbraw/zinc/26/87/57/577268757.db2.gz TZKUNEHNAAYPLZ-UHFFFAOYSA-N 1 2 327.256 2.403 10 5 EEBELO C[N@@H+](CC(=O)Nc1cccc(F)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580380 577463163 /nfs/dbraw/zinc/46/31/63/577463163.db2.gz YDQPWXOPSVLHMH-INIZCTEOSA-N 1 2 347.346 2.338 10 5 EEBELO C[N@H+](CC(=O)Nc1cccc(F)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580380 577463164 /nfs/dbraw/zinc/46/31/64/577463164.db2.gz YDQPWXOPSVLHMH-INIZCTEOSA-N 1 2 347.346 2.338 10 5 EEBELO Cn1c2ccccc2n(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1=O ZINC000800865540 1234697670 /nfs/dbraw/zinc/69/76/70/1234697670.db2.gz FLDLDBXPEJDKSU-UHFFFAOYSA-N 1 2 340.383 2.380 10 5 EEBELO Cn1c2ccccc2n(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1=O ZINC000800865540 1234697673 /nfs/dbraw/zinc/69/76/73/1234697673.db2.gz FLDLDBXPEJDKSU-UHFFFAOYSA-N 1 2 340.383 2.380 10 5 EEBELO CC[C@H](C[C@H](C)O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001649147364 1278330558 /nfs/dbraw/zinc/33/05/58/1278330558.db2.gz NZRPACITKCSIST-WCQYABFASA-N 1 2 332.360 2.060 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001197785741 1284804949 /nfs/dbraw/zinc/80/49/49/1284804949.db2.gz JPOOBENOFIFOSV-LLVKDONJSA-N 1 2 343.387 2.259 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001197785741 1284804959 /nfs/dbraw/zinc/80/49/59/1284804959.db2.gz JPOOBENOFIFOSV-LLVKDONJSA-N 1 2 343.387 2.259 10 5 EEBELO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc[nH+]1 ZINC001617440817 1352341583 /nfs/dbraw/zinc/34/15/83/1352341583.db2.gz ZYUPGTNRDKLKFV-UHFFFAOYSA-N 1 2 333.369 2.057 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000825124216 788447424 /nfs/dbraw/zinc/44/74/24/788447424.db2.gz KIHQUNRYQYPMMG-JOYOIKCWSA-N 1 2 349.265 2.248 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000825124216 788447430 /nfs/dbraw/zinc/44/74/30/788447430.db2.gz KIHQUNRYQYPMMG-JOYOIKCWSA-N 1 2 349.265 2.248 10 5 EEBELO Nc1c(C(=O)NCCc2[nH]cc[nH+]2)cc2ccccc2c1[N+](=O)[O-] ZINC001146986853 791607254 /nfs/dbraw/zinc/60/72/54/791607254.db2.gz KRXYRTUHBDLPRY-UHFFFAOYSA-N 1 2 325.328 2.026 10 5 EEBELO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC001175873474 798275060 /nfs/dbraw/zinc/27/50/60/798275060.db2.gz QGWBEOFKYUFBNZ-OAHLLOKOSA-N 1 2 325.328 2.291 10 5 EEBELO CCOc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1[N+](=O)[O-] ZINC001170259051 809849973 /nfs/dbraw/zinc/84/99/73/809849973.db2.gz RFCSCOJWJLQFEW-UHFFFAOYSA-N 1 2 342.355 2.169 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001460777659 1110323921 /nfs/dbraw/zinc/32/39/21/1110323921.db2.gz CTYPXPKFSRKXOE-NWDGAFQWSA-N 1 2 343.387 2.339 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001460777659 1110323923 /nfs/dbraw/zinc/32/39/23/1110323923.db2.gz CTYPXPKFSRKXOE-NWDGAFQWSA-N 1 2 343.387 2.339 10 5 EEBELO CCn1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC001538523101 1124028978 /nfs/dbraw/zinc/02/89/78/1124028978.db2.gz IGIIOQIRGRHWGE-UHFFFAOYSA-N 1 2 326.316 2.249 10 5 EEBELO COc1cc(C)nc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446846021 242225374 /nfs/dbraw/zinc/22/53/74/242225374.db2.gz UMOONTAOONZGHH-UHFFFAOYSA-N 1 2 327.344 2.473 10 5 EEBELO COc1cc(C)[nH+]c(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446846021 242225377 /nfs/dbraw/zinc/22/53/77/242225377.db2.gz UMOONTAOONZGHH-UHFFFAOYSA-N 1 2 327.344 2.473 10 5 EEBELO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451256830 243053297 /nfs/dbraw/zinc/05/32/97/243053297.db2.gz PKIAIGLTLSXTSD-QMTHXVAHSA-N 1 2 341.795 2.280 10 5 EEBELO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451256830 243053299 /nfs/dbraw/zinc/05/32/99/243053299.db2.gz PKIAIGLTLSXTSD-QMTHXVAHSA-N 1 2 341.795 2.280 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000109282025 159348366 /nfs/dbraw/zinc/34/83/66/159348366.db2.gz PDJFSKSSSOXXJN-UHFFFAOYSA-N 1 2 329.360 2.315 10 5 EEBELO CN(C(=O)C[NH+]1CCC(c2ccn[nH]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000195505304 160214675 /nfs/dbraw/zinc/21/46/75/160214675.db2.gz XMAYRWWVEMFVES-UHFFFAOYSA-N 1 2 343.387 2.160 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOCC(F)(F)C(F)F)CC2 ZINC000346546367 161380863 /nfs/dbraw/zinc/38/08/63/161380863.db2.gz HHMMJJRCMFLBTE-UHFFFAOYSA-N 1 2 337.273 2.265 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOCC(F)(F)C(F)F)CC2 ZINC000346546367 161380864 /nfs/dbraw/zinc/38/08/64/161380864.db2.gz HHMMJJRCMFLBTE-UHFFFAOYSA-N 1 2 337.273 2.265 10 5 EEBELO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359366002 164121139 /nfs/dbraw/zinc/12/11/39/164121139.db2.gz XBQMUXJGQISYTR-UHFFFAOYSA-N 1 2 326.259 2.192 10 5 EEBELO O=c1[nH]ccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000278453449 274357392 /nfs/dbraw/zinc/35/73/92/274357392.db2.gz YIQOGEOIDWLBHE-UHFFFAOYSA-N 1 2 330.300 2.162 10 5 EEBELO O=c1[nH]ccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000278453449 274357395 /nfs/dbraw/zinc/35/73/95/274357395.db2.gz YIQOGEOIDWLBHE-UHFFFAOYSA-N 1 2 330.300 2.162 10 5 EEBELO COC[C@H]1CC[N@@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000293719259 293278323 /nfs/dbraw/zinc/27/83/23/293278323.db2.gz YJBRBQBODZGDMO-SNVBAGLBSA-N 1 2 332.303 2.426 10 5 EEBELO COC[C@H]1CC[N@H+]1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000293719259 293278325 /nfs/dbraw/zinc/27/83/25/293278325.db2.gz YJBRBQBODZGDMO-SNVBAGLBSA-N 1 2 332.303 2.426 10 5 EEBELO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000152637598 462561193 /nfs/dbraw/zinc/56/11/93/462561193.db2.gz TWEWJGGRGOREJP-UHFFFAOYSA-N 1 2 337.357 2.214 10 5 EEBELO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCOC[C@H]1C ZINC000095979954 463123901 /nfs/dbraw/zinc/12/39/01/463123901.db2.gz BSIZUZYDXUWOHM-WDEREUQCSA-N 1 2 341.795 2.087 10 5 EEBELO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCOC[C@H]1C ZINC000095979954 463123906 /nfs/dbraw/zinc/12/39/06/463123906.db2.gz BSIZUZYDXUWOHM-WDEREUQCSA-N 1 2 341.795 2.087 10 5 EEBELO COC(=O)c1cc(C)nc(NCc2c[nH+]ccc2OC)c1[N+](=O)[O-] ZINC000292808420 464348091 /nfs/dbraw/zinc/34/80/91/464348091.db2.gz RVKQPOAOIAKPLT-UHFFFAOYSA-N 1 2 332.316 2.101 10 5 EEBELO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCOC[C@H]1C ZINC000239667963 464444273 /nfs/dbraw/zinc/44/42/73/464444273.db2.gz BSIZUZYDXUWOHM-GHMZBOCLSA-N 1 2 341.795 2.087 10 5 EEBELO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@H+]1CCOC[C@H]1C ZINC000239667963 464444274 /nfs/dbraw/zinc/44/42/74/464444274.db2.gz BSIZUZYDXUWOHM-GHMZBOCLSA-N 1 2 341.795 2.087 10 5 EEBELO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000246561008 464599258 /nfs/dbraw/zinc/59/92/58/464599258.db2.gz UVGHWQXINCZFIT-MLGOLLRUSA-N 1 2 339.823 2.401 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371171392 465629505 /nfs/dbraw/zinc/62/95/05/465629505.db2.gz VFJMMVAPVQORHZ-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371171392 465629511 /nfs/dbraw/zinc/62/95/11/465629511.db2.gz VFJMMVAPVQORHZ-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000366645568 465851842 /nfs/dbraw/zinc/85/18/42/465851842.db2.gz XCGCMTJTZJBQBZ-BZUAXINKSA-N 1 2 336.388 2.372 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000366645568 465851847 /nfs/dbraw/zinc/85/18/47/465851847.db2.gz XCGCMTJTZJBQBZ-BZUAXINKSA-N 1 2 336.388 2.372 10 5 EEBELO Cc1cc(NCc2ncnn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301426467 465961602 /nfs/dbraw/zinc/96/16/02/465961602.db2.gz GYCHQAJBLKDMRO-UHFFFAOYSA-N 1 2 325.332 2.101 10 5 EEBELO C[NH+](C)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000357341137 465963221 /nfs/dbraw/zinc/96/32/21/465963221.db2.gz CKKMSPRJIWAFGI-CQSZACIVSA-N 1 2 347.346 2.472 10 5 EEBELO Cn1cc[nH+]c1CN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000340838926 466375010 /nfs/dbraw/zinc/37/50/10/466375010.db2.gz MDLVIJBIOOOVLS-AWEZNQCLSA-N 1 2 347.350 2.071 10 5 EEBELO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c2c(c1)COCO2 ZINC000411840511 466914576 /nfs/dbraw/zinc/91/45/76/466914576.db2.gz DGRWMSDLUHOMRB-MRXNPFEDSA-N 1 2 334.372 2.462 10 5 EEBELO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c2c(c1)COCO2 ZINC000411840511 466914582 /nfs/dbraw/zinc/91/45/82/466914582.db2.gz DGRWMSDLUHOMRB-MRXNPFEDSA-N 1 2 334.372 2.462 10 5 EEBELO COC(=O)c1cc(C)nc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450835424 467916757 /nfs/dbraw/zinc/91/67/57/467916757.db2.gz XAZBWEZUNWQEPH-MWLCHTKSSA-N 1 2 331.332 2.399 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595903415 469073057 /nfs/dbraw/zinc/07/30/57/469073057.db2.gz QOXCXBVZEZQOSS-UHFFFAOYSA-N 1 2 341.367 2.261 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595903415 469073065 /nfs/dbraw/zinc/07/30/65/469073065.db2.gz QOXCXBVZEZQOSS-UHFFFAOYSA-N 1 2 341.367 2.261 10 5 EEBELO COC(=O)c1cnc(N2CC[C@@H](c3cc(C)cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000599102822 469120254 /nfs/dbraw/zinc/12/02/54/469120254.db2.gz UZVFCPKVBMFOCE-GFCCVEGCSA-N 1 2 342.355 2.474 10 5 EEBELO COC(=O)c1ccnc(N2CC[C@H](c3cc(C)cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000599102836 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338.389 2.205 10 5 EEBELO CC[N@@H+](CCNC(=O)c1nocc1C)Cc1csc([N+](=O)[O-])c1 ZINC001266427954 1176522325 /nfs/dbraw/zinc/52/23/25/1176522325.db2.gz GNKLAVMMJBMRRQ-UHFFFAOYSA-N 1 2 338.389 2.205 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852652685 1292154337 /nfs/dbraw/zinc/15/43/37/1292154337.db2.gz BRRJJLZXEUMGDM-GFCCVEGCSA-N 1 2 340.811 2.436 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852652685 1292154339 /nfs/dbraw/zinc/15/43/39/1292154339.db2.gz BRRJJLZXEUMGDM-GFCCVEGCSA-N 1 2 340.811 2.436 10 5 EEBELO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839712626 1315236569 /nfs/dbraw/zinc/23/65/69/1315236569.db2.gz KHQOGIGEFFNDRX-ICGCDAGXSA-N 1 2 341.770 2.006 10 5 EEBELO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839712626 1315236572 /nfs/dbraw/zinc/23/65/72/1315236572.db2.gz KHQOGIGEFFNDRX-ICGCDAGXSA-N 1 2 341.770 2.006 10 5 EEBELO C[C@@H]1C[N@@H+](CCN(C)c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H](C)O1 ZINC001612338958 1352307456 /nfs/dbraw/zinc/30/74/56/1352307456.db2.gz ADLIHYWDLBPISY-OKILXGFUSA-N 1 2 348.447 2.414 10 5 EEBELO C[C@@H]1C[N@H+](CCN(C)c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H](C)O1 ZINC001612338958 1352307457 /nfs/dbraw/zinc/30/74/57/1352307457.db2.gz ADLIHYWDLBPISY-OKILXGFUSA-N 1 2 348.447 2.414 10 5 EEBELO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc2c[nH+]ccc2[nH]1 ZINC001616322989 1352327922 /nfs/dbraw/zinc/32/79/22/1352327922.db2.gz LOORDCYZSVHHIC-UHFFFAOYSA-N 1 2 326.312 2.280 10 5 EEBELO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ncc[nH]1 ZINC001617314271 1352339606 /nfs/dbraw/zinc/33/96/06/1352339606.db2.gz IOHWBLNTWWGGGW-GFCCVEGCSA-N 1 2 340.343 2.385 10 5 EEBELO CN(C)c1[nH+]ccc2cc(NC(=O)Cn3ccc([N+](=O)[O-])n3)ccc21 ZINC001436383553 1342063466 /nfs/dbraw/zinc/06/34/66/1342063466.db2.gz UVYPEOYSJNBRFM-UHFFFAOYSA-N 1 2 340.343 2.044 10 5 EEBELO O=C(Cn1cc[nH+]c1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F 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NVOVGNAPKQPEKB-UHFFFAOYSA-N 1 2 326.316 2.075 10 5 EEBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001454150904 1106774495 /nfs/dbraw/zinc/77/44/95/1106774495.db2.gz JZLGNUAQWJFJNT-GFCCVEGCSA-N 1 2 338.327 2.056 10 5 EEBELO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001454257325 1106979677 /nfs/dbraw/zinc/97/96/77/1106979677.db2.gz PSNSDHUXHPNGOR-AWEZNQCLSA-N 1 2 334.763 2.363 10 5 EEBELO O=C(NCC(F)(F)C(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001544001335 1124137307 /nfs/dbraw/zinc/13/73/07/1124137307.db2.gz IMFWMVAEOKOLFW-UHFFFAOYSA-N 1 2 346.240 2.411 10 5 EEBELO C[C@H](c1cccc(F)c1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000091981154 159211457 /nfs/dbraw/zinc/21/14/57/159211457.db2.gz JOTCNCNXFOFLIS-CQSZACIVSA-N 1 2 347.394 2.309 10 5 EEBELO Cn1ccnc1CN1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093108299 159230206 /nfs/dbraw/zinc/23/02/06/159230206.db2.gz APBVZICPAITELJ-GQCTYLIASA-N 1 2 341.415 2.159 10 5 EEBELO Cc1cc(N[C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1[N+](=O)[O-] ZINC000340775560 160953368 /nfs/dbraw/zinc/95/33/68/160953368.db2.gz IXKKZQLVSFDYLZ-CQSZACIVSA-N 1 2 343.387 2.240 10 5 EEBELO C[NH+](C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000345649575 161319416 /nfs/dbraw/zinc/31/94/16/161319416.db2.gz VIHBODDAGLZVFH-MRXNPFEDSA-N 1 2 347.346 2.472 10 5 EEBELO CC[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000421678243 314140269 /nfs/dbraw/zinc/14/02/69/314140269.db2.gz ZFVXXVZNQGDZBV-ZIAGYGMSSA-N 1 2 344.371 2.468 10 5 EEBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000339146739 465107695 /nfs/dbraw/zinc/10/76/95/465107695.db2.gz WDMXJHYATNGKNX-INIZCTEOSA-N 1 2 329.356 2.349 10 5 EEBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000339146739 465107703 /nfs/dbraw/zinc/10/77/03/465107703.db2.gz WDMXJHYATNGKNX-INIZCTEOSA-N 1 2 329.356 2.349 10 5 EEBELO O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccccc1[N+](=O)[O-] ZINC000114203221 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330.344 2.032 10 5 EEBELO Cc1cccc2[nH+]c(CNC(=O)c3cc([N+](=O)[O-])cnc3C)cn21 ZINC000171940534 463953314 /nfs/dbraw/zinc/95/33/14/463953314.db2.gz OQWUATJSJFTTPK-UHFFFAOYSA-N 1 2 325.328 2.184 10 5 EEBELO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280757848 464247882 /nfs/dbraw/zinc/24/78/82/464247882.db2.gz LFZQTWWHHJFNSC-UPJWGTAASA-N 1 2 335.404 2.397 10 5 EEBELO COc1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000337507178 465405343 /nfs/dbraw/zinc/40/53/43/465405343.db2.gz GCNZMBRPKLJEPJ-CYBMUJFWSA-N 1 2 342.417 2.003 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000337507178 465405346 /nfs/dbraw/zinc/40/53/46/465405346.db2.gz GCNZMBRPKLJEPJ-CYBMUJFWSA-N 1 2 342.417 2.003 10 5 EEBELO O=C(NCC[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600169361 468483015 /nfs/dbraw/zinc/48/30/15/468483015.db2.gz FAIOMQKDFZJABK-ZDUSSCGKSA-N 1 2 344.371 2.327 10 5 EEBELO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000597219347 468483043 /nfs/dbraw/zinc/48/30/43/468483043.db2.gz BEPOMVZQOIUHPH-CTEOGUNLSA-N 1 2 334.372 2.262 10 5 EEBELO COC[C@@]1(C(=O)OC)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000597219347 468483048 /nfs/dbraw/zinc/48/30/48/468483048.db2.gz BEPOMVZQOIUHPH-CTEOGUNLSA-N 1 2 334.372 2.262 10 5 EEBELO C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000357933164 466329472 /nfs/dbraw/zinc/32/94/72/466329472.db2.gz ISSJNEUDWBBUBR-WDEREUQCSA-N 1 2 329.360 2.236 10 5 EEBELO C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000357933164 466329478 /nfs/dbraw/zinc/32/94/78/466329478.db2.gz ISSJNEUDWBBUBR-WDEREUQCSA-N 1 2 329.360 2.236 10 5 EEBELO Cn1cc[nH+]c1CN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000340838927 466374896 /nfs/dbraw/zinc/37/48/96/466374896.db2.gz MDLVIJBIOOOVLS-CQSZACIVSA-N 1 2 347.350 2.071 10 5 EEBELO C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C(=O)OC(C)(C)C ZINC000425522335 467105018 /nfs/dbraw/zinc/10/50/18/467105018.db2.gz MDIXBTWGQPVSPB-JSGCOSHPSA-N 1 2 338.408 2.234 10 5 EEBELO C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1C(=O)OC(C)(C)C ZINC000425522335 467105019 /nfs/dbraw/zinc/10/50/19/467105019.db2.gz MDIXBTWGQPVSPB-JSGCOSHPSA-N 1 2 338.408 2.234 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-n2cc[nH+]c2)n1 ZINC000427509296 467161884 /nfs/dbraw/zinc/16/18/84/467161884.db2.gz LDIOQQJIBMQPKW-UHFFFAOYSA-N 1 2 326.316 2.249 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000458421744 467829923 /nfs/dbraw/zinc/82/99/23/467829923.db2.gz LNEUAYLFRBEOJX-UHFFFAOYSA-N 1 2 345.403 2.193 10 5 EEBELO CC(C)(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]c[nH+]1 ZINC000515545769 467996890 /nfs/dbraw/zinc/99/68/90/467996890.db2.gz VWDJWQOWNIQYJG-UHFFFAOYSA-N 1 2 341.371 2.436 10 5 EEBELO Nc1cc(NCCc2[nH]c3ccccc3[nH+]2)cc(CO)c1[N+](=O)[O-] ZINC000590133345 468217249 /nfs/dbraw/zinc/21/72/49/468217249.db2.gz 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CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601431933 468870780 /nfs/dbraw/zinc/87/07/80/468870780.db2.gz TXUPRRCCBWZVQQ-JTQLQIEISA-N 1 2 347.462 2.070 10 5 EEBELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595742844 468983594 /nfs/dbraw/zinc/98/35/94/468983594.db2.gz IYCFYJLWWFEBAI-RTUWITSCSA-N 1 2 341.795 2.135 10 5 EEBELO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595742844 468983595 /nfs/dbraw/zinc/98/35/95/468983595.db2.gz IYCFYJLWWFEBAI-RTUWITSCSA-N 1 2 341.795 2.135 10 5 EEBELO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586770215 469060939 /nfs/dbraw/zinc/06/09/39/469060939.db2.gz MHDHHEJDFDZAAB-UHFFFAOYSA-N 1 2 325.284 2.133 10 5 EEBELO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000573241338 469090980 /nfs/dbraw/zinc/09/09/80/469090980.db2.gz ARMRSAUPEUMCJP-HIFRSBDPSA-N 1 2 346.431 2.168 10 5 EEBELO COC(=O)c1cnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599335261 469215908 /nfs/dbraw/zinc/21/59/08/469215908.db2.gz QYSRHIDCOBTIKZ-UHFFFAOYSA-N 1 2 342.355 2.336 10 5 EEBELO COC(=O)c1cnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599335261 469215913 /nfs/dbraw/zinc/21/59/13/469215913.db2.gz QYSRHIDCOBTIKZ-UHFFFAOYSA-N 1 2 342.355 2.336 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596519544 469291466 /nfs/dbraw/zinc/29/14/66/469291466.db2.gz XKRJCDIJOQVRKJ-CQSZACIVSA-N 1 2 343.387 2.335 10 5 EEBELO CC(C)(C)CC(=O)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278832 577456611 /nfs/dbraw/zinc/45/66/11/577456611.db2.gz WEFCFZYEAFLFJM-MRXNPFEDSA-N 1 2 349.431 2.209 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000853652676 1292431428 /nfs/dbraw/zinc/43/14/28/1292431428.db2.gz RZRAWRMVRVWGHP-GFCCVEGCSA-N 1 2 339.367 2.044 10 5 EEBELO CN(CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1cccc[nH+]1 ZINC001651363313 1354050177 /nfs/dbraw/zinc/05/01/77/1354050177.db2.gz FAKXIWPPGAHCCR-UHFFFAOYSA-N 1 2 329.360 2.027 10 5 EEBELO CC(C)c1[nH]cc(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[nH+]1 ZINC001652743291 1354100915 /nfs/dbraw/zinc/10/09/15/1354100915.db2.gz IOLJGSZAUQUNMK-UHFFFAOYSA-N 1 2 346.372 2.376 10 5 EEBELO CC(C)c1[nH]c(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c[nH+]1 ZINC001652743291 1354100918 /nfs/dbraw/zinc/10/09/18/1354100918.db2.gz IOLJGSZAUQUNMK-UHFFFAOYSA-N 1 2 346.372 2.376 10 5 EEBELO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001655655190 1354181005 /nfs/dbraw/zinc/18/10/05/1354181005.db2.gz KOGNGSLLVFLCGV-ABAIWWIYSA-N 1 2 341.371 2.453 10 5 EEBELO C/C(=C/C(=O)O[C@@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000784918704 757005507 /nfs/dbraw/zinc/00/55/07/757005507.db2.gz RRNFZVWOARFKQO-FZDNWWAKSA-N 1 2 334.372 2.262 10 5 EEBELO O=C(Nc1cnc2nccn2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001131698971 783100657 /nfs/dbraw/zinc/10/06/57/783100657.db2.gz YKNYOIKOGOWXJF-UHFFFAOYSA-N 1 2 349.310 2.076 10 5 EEBELO Cc1c(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000110954636 142350389 /nfs/dbraw/zinc/35/03/89/142350389.db2.gz JJGCTWWGSICDBG-HNNXBMFYSA-N 1 2 347.415 2.230 10 5 EEBELO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377274416 154119976 /nfs/dbraw/zinc/11/99/76/154119976.db2.gz YYPUGNFRDWBZSF-UHFFFAOYSA-N 1 2 340.343 2.214 10 5 EEBELO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377274416 154119982 /nfs/dbraw/zinc/11/99/82/154119982.db2.gz YYPUGNFRDWBZSF-UHFFFAOYSA-N 1 2 340.343 2.214 10 5 EEBELO Nc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1[N+](=O)[O-] ZINC000345670032 161321169 /nfs/dbraw/zinc/32/11/69/161321169.db2.gz RAMXQIATPKHKES-UHFFFAOYSA-N 1 2 349.310 2.475 10 5 EEBELO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)no1 ZINC000352029289 162035881 /nfs/dbraw/zinc/03/58/81/162035881.db2.gz VFLUWKGJWSDAFA-UHFFFAOYSA-N 1 2 349.343 2.403 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368786186 166126747 /nfs/dbraw/zinc/12/67/47/166126747.db2.gz IYUDKNPJINGODH-TVQRCGJNSA-N 1 2 339.779 2.032 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368786186 166126749 /nfs/dbraw/zinc/12/67/49/166126749.db2.gz IYUDKNPJINGODH-TVQRCGJNSA-N 1 2 339.779 2.032 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000353278607 280398707 /nfs/dbraw/zinc/39/87/07/280398707.db2.gz RMIMUVCLSRHJTM-UHFFFAOYSA-N 1 2 328.376 2.032 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000578065616 320292550 /nfs/dbraw/zinc/29/25/50/320292550.db2.gz XYNXHDLRSYGZLR-UHFFFAOYSA-N 1 2 342.355 2.343 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000578065616 320292552 /nfs/dbraw/zinc/29/25/52/320292552.db2.gz XYNXHDLRSYGZLR-UHFFFAOYSA-N 1 2 342.355 2.343 10 5 EEBELO Cc1cc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)ccc1F ZINC000128922809 462681454 /nfs/dbraw/zinc/68/14/54/462681454.db2.gz PHEBUTUTJGRUMV-INIZCTEOSA-N 1 2 334.351 2.312 10 5 EEBELO Cc1cc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)ccc1F ZINC000128922809 462681459 /nfs/dbraw/zinc/68/14/59/462681459.db2.gz PHEBUTUTJGRUMV-INIZCTEOSA-N 1 2 334.351 2.312 10 5 EEBELO CCOc1ccc(NC(=O)C[N@@H+]2CCCSCC2)c([N+](=O)[O-])c1 ZINC000089979836 462760016 /nfs/dbraw/zinc/76/00/16/462760016.db2.gz LFMHVHKNAKHEEY-UHFFFAOYSA-N 1 2 339.417 2.371 10 5 EEBELO CCOc1ccc(NC(=O)C[N@H+]2CCCSCC2)c([N+](=O)[O-])c1 ZINC000089979836 462760023 /nfs/dbraw/zinc/76/00/23/462760023.db2.gz LFMHVHKNAKHEEY-UHFFFAOYSA-N 1 2 339.417 2.371 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000120033218 462954651 /nfs/dbraw/zinc/95/46/51/462954651.db2.gz LJVSNPYQFPTVIU-CQSZACIVSA-N 1 2 348.403 2.150 10 5 EEBELO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1 ZINC000170688450 463696011 /nfs/dbraw/zinc/69/60/11/463696011.db2.gz YZJCEJICRUGEBA-LLVKDONJSA-N 1 2 327.768 2.298 10 5 EEBELO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCO1 ZINC000170688450 463696015 /nfs/dbraw/zinc/69/60/15/463696015.db2.gz YZJCEJICRUGEBA-LLVKDONJSA-N 1 2 327.768 2.298 10 5 EEBELO Cc1sc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194747112 463922292 /nfs/dbraw/zinc/92/22/92/463922292.db2.gz WHQYCAKQYLGETI-PHIMTYICSA-N 1 2 341.433 2.146 10 5 EEBELO Cc1sc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194747112 463922296 /nfs/dbraw/zinc/92/22/96/463922296.db2.gz WHQYCAKQYLGETI-PHIMTYICSA-N 1 2 341.433 2.146 10 5 EEBELO CCO[C@@H](C)c1nc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000174877736 464462629 /nfs/dbraw/zinc/46/26/29/464462629.db2.gz LNOFTEIEAOXEHJ-NSHDSACASA-N 1 2 339.421 2.477 10 5 EEBELO CCO[C@@H](C)c1nc(C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000174877736 464462635 /nfs/dbraw/zinc/46/26/35/464462635.db2.gz LNOFTEIEAOXEHJ-NSHDSACASA-N 1 2 339.421 2.477 10 5 EEBELO COc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000268169994 464955149 /nfs/dbraw/zinc/95/51/49/464955149.db2.gz IWYJZEQXVAGBPC-WDEREUQCSA-N 1 2 327.356 2.264 10 5 EEBELO COC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000351845786 465394894 /nfs/dbraw/zinc/39/48/94/465394894.db2.gz WDAIIFJEKVVLKL-MRXNPFEDSA-N 1 2 335.404 2.305 10 5 EEBELO Cc1nc(C)c(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000353709817 466085530 /nfs/dbraw/zinc/08/55/30/466085530.db2.gz SHEIXZXJRGQDMV-UHFFFAOYSA-N 1 2 341.327 2.315 10 5 EEBELO CCOC(=O)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCCC1 ZINC000594047355 468471405 /nfs/dbraw/zinc/47/14/05/468471405.db2.gz MDBLKZXXEARJJW-OAHLLOKOSA-N 1 2 338.408 2.283 10 5 EEBELO COC[C@@]1(C(=O)OC)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000597219351 468482920 /nfs/dbraw/zinc/48/29/20/468482920.db2.gz BEPOMVZQOIUHPH-ZGRWHYIRSA-N 1 2 334.372 2.262 10 5 EEBELO COC[C@@]1(C(=O)OC)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000597219351 468482923 /nfs/dbraw/zinc/48/29/23/468482923.db2.gz BEPOMVZQOIUHPH-ZGRWHYIRSA-N 1 2 334.372 2.262 10 5 EEBELO CC(C)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCC(=O)N1 ZINC000412064365 466991199 /nfs/dbraw/zinc/99/11/99/466991199.db2.gz CCSLXVSQZSZJAN-SNVBAGLBSA-N 1 2 327.331 2.362 10 5 EEBELO CC(C)[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCC(=O)N1 ZINC000412064365 466991200 /nfs/dbraw/zinc/99/12/00/466991200.db2.gz CCSLXVSQZSZJAN-SNVBAGLBSA-N 1 2 327.331 2.362 10 5 EEBELO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCc1cn(C)c[nH+]1 ZINC000413378789 467229736 /nfs/dbraw/zinc/22/97/36/467229736.db2.gz GDOCPLUVEYKQET-UHFFFAOYSA-N 1 2 338.751 2.423 10 5 EEBELO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000517466648 468085466 /nfs/dbraw/zinc/08/54/66/468085466.db2.gz ZWKCQNPAIFHSPV-GFCCVEGCSA-N 1 2 345.403 2.161 10 5 EEBELO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000517466648 468085468 /nfs/dbraw/zinc/08/54/68/468085468.db2.gz ZWKCQNPAIFHSPV-GFCCVEGCSA-N 1 2 345.403 2.161 10 5 EEBELO C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000488483808 468088580 /nfs/dbraw/zinc/08/85/80/468088580.db2.gz TYOHPDUNBUYDBH-NWDGAFQWSA-N 1 2 329.360 2.167 10 5 EEBELO COC(=O)c1cc([N+](=O)[O-])c(C)cc1SC[C@@H]1C[N@H+](C)CCO1 ZINC000518970398 468131849 /nfs/dbraw/zinc/13/18/49/468131849.db2.gz FJUYRNHVTMFPNU-NSHDSACASA-N 1 2 340.401 2.113 10 5 EEBELO COC(=O)c1cc([N+](=O)[O-])c(C)cc1SC[C@@H]1C[N@@H+](C)CCO1 ZINC000518970398 468131853 /nfs/dbraw/zinc/13/18/53/468131853.db2.gz FJUYRNHVTMFPNU-NSHDSACASA-N 1 2 340.401 2.113 10 5 EEBELO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600441900 468560441 /nfs/dbraw/zinc/56/04/41/468560441.db2.gz CENKFOKGYUTCEZ-AZKPJATDSA-N 1 2 344.371 2.322 10 5 EEBELO C[C@@]1(C2CC2)C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000595625438 468928330 /nfs/dbraw/zinc/92/83/30/468928330.db2.gz MQRUEZOKMBIDHQ-WMZOPIPTSA-N 1 2 345.399 2.201 10 5 EEBELO 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COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000865928037 1198427473 /nfs/dbraw/zinc/42/74/73/1198427473.db2.gz OLPWYHASQWNDCW-LBPRGKRZSA-N 1 2 325.340 2.227 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000865928037 1198427476 /nfs/dbraw/zinc/42/74/76/1198427476.db2.gz OLPWYHASQWNDCW-LBPRGKRZSA-N 1 2 325.340 2.227 10 5 EEBELO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929864094 1206510570 /nfs/dbraw/zinc/51/05/70/1206510570.db2.gz TVQVUAJLLJWRPD-CORIIIEPSA-N 1 2 326.780 2.484 10 5 EEBELO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929864094 1206510572 /nfs/dbraw/zinc/51/05/72/1206510572.db2.gz TVQVUAJLLJWRPD-CORIIIEPSA-N 1 2 326.780 2.484 10 5 EEBELO O=[N+]([O-])c1cnn(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000863324534 1296221035 /nfs/dbraw/zinc/22/10/35/1296221035.db2.gz BCQQHOBHEBFHTK-UHFFFAOYSA-N 1 2 340.387 2.048 10 5 EEBELO CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001623712065 1352403364 /nfs/dbraw/zinc/40/33/64/1352403364.db2.gz DBBJGVWQIGFSMI-UHFFFAOYSA-N 1 2 337.339 2.448 10 5 EEBELO Nc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)cc2ccccc2c1[N+](=O)[O-] ZINC001634085365 1352622058 /nfs/dbraw/zinc/62/20/58/1352622058.db2.gz WZLYWUJVXPORHX-ZDUSSCGKSA-N 1 2 337.339 2.402 10 5 EEBELO COC(=O)c1cc([N+](=O)[O-])c(NCCc2cn(C)c[nH+]2)cc1Cl ZINC000840327484 782538809 /nfs/dbraw/zinc/53/88/09/782538809.db2.gz QLSKLDYNXSWFQY-UHFFFAOYSA-N 1 2 338.751 2.423 10 5 EEBELO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000172909234 791790747 /nfs/dbraw/zinc/79/07/47/791790747.db2.gz XGDGOAVFZPSXDB-CYBMUJFWSA-N 1 2 332.360 2.060 10 5 EEBELO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000172909234 791790751 /nfs/dbraw/zinc/79/07/51/791790751.db2.gz XGDGOAVFZPSXDB-CYBMUJFWSA-N 1 2 332.360 2.060 10 5 EEBELO Cn1cc(C(C)(C)[NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cn1 ZINC001459914199 1110250445 /nfs/dbraw/zinc/25/04/45/1110250445.db2.gz YAQURMCJYSBEDP-UHFFFAOYSA-N 1 2 342.359 2.403 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001519887494 1119112492 /nfs/dbraw/zinc/11/24/92/1119112492.db2.gz HXNDKJOSOLDGPL-UHFFFAOYSA-N 1 2 340.339 2.490 10 5 EEBELO Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)on1 ZINC001535236915 1123539432 /nfs/dbraw/zinc/53/94/32/1123539432.db2.gz FCNSYKGWOANJQS-UHFFFAOYSA-N 1 2 327.300 2.007 10 5 EEBELO CO[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451105482 243002038 /nfs/dbraw/zinc/00/20/38/243002038.db2.gz CJTTVPNCPRPPEP-CHWSQXEVSA-N 1 2 330.344 2.078 10 5 EEBELO O=C(NC1(CCO)CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451897850 243299570 /nfs/dbraw/zinc/29/95/70/243299570.db2.gz DWBNAIJHWUUPGC-UHFFFAOYSA-N 1 2 344.371 2.206 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000459184298 245026522 /nfs/dbraw/zinc/02/65/22/245026522.db2.gz RZYRQYYEDKCPCU-UHFFFAOYSA-N 1 2 343.387 2.245 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000191544360 256006382 /nfs/dbraw/zinc/00/63/82/256006382.db2.gz CPYCXWOUDNMINU-UHFFFAOYSA-N 1 2 326.316 2.249 10 5 EEBELO Cn1cc([N+](=O)[O-])c(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)n1 ZINC000356589564 141022665 /nfs/dbraw/zinc/02/26/65/141022665.db2.gz ILKCEDIDMPKIII-UHFFFAOYSA-N 1 2 337.299 2.231 10 5 EEBELO NC(=O)c1ccc(NCc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000359482588 153392497 /nfs/dbraw/zinc/39/24/97/153392497.db2.gz QLJVEFHQNIZEJX-UHFFFAOYSA-N 1 2 343.265 2.065 10 5 EEBELO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000109847123 159353802 /nfs/dbraw/zinc/35/38/02/159353802.db2.gz USVMODDWKWRDFX-MRXNPFEDSA-N 1 2 348.403 2.313 10 5 EEBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000246250551 160270227 /nfs/dbraw/zinc/27/02/27/160270227.db2.gz JGIBNTFGSHIELM-QZTJIDSGSA-N 1 2 344.367 2.407 10 5 EEBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000246250551 160270228 /nfs/dbraw/zinc/27/02/28/160270228.db2.gz JGIBNTFGSHIELM-QZTJIDSGSA-N 1 2 344.367 2.407 10 5 EEBELO CCOCCN1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246995354 160304460 /nfs/dbraw/zinc/30/44/60/160304460.db2.gz BFEYGOHGCDLMNM-OAHLLOKOSA-N 1 2 337.420 2.016 10 5 EEBELO CCOCCN1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000246995354 160304462 /nfs/dbraw/zinc/30/44/62/160304462.db2.gz BFEYGOHGCDLMNM-OAHLLOKOSA-N 1 2 337.420 2.016 10 5 EEBELO COc1cc(CN2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000352780804 162283799 /nfs/dbraw/zinc/28/37/99/162283799.db2.gz VVYVNANFZNUTFD-UHFFFAOYSA-N 1 2 342.399 2.316 10 5 EEBELO Cn1cc[nH+]c1CN1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000360011284 164215992 /nfs/dbraw/zinc/21/59/92/164215992.db2.gz UMBFPLOMBPNRAG-UHFFFAOYSA-N 1 2 349.822 2.300 10 5 EEBELO Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2c([nH+]1)CCCC2 ZINC000414471358 313029832 /nfs/dbraw/zinc/02/98/32/313029832.db2.gz QQYKSPJAMWBRKO-UHFFFAOYSA-N 1 2 347.396 2.400 10 5 EEBELO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000153154951 462620827 /nfs/dbraw/zinc/62/08/27/462620827.db2.gz XDUKPLBAVRHZRW-KBPBESRZSA-N 1 2 331.416 2.457 10 5 EEBELO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000153154951 462620832 /nfs/dbraw/zinc/62/08/32/462620832.db2.gz XDUKPLBAVRHZRW-KBPBESRZSA-N 1 2 331.416 2.457 10 5 EEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132485136 462859250 /nfs/dbraw/zinc/85/92/50/462859250.db2.gz RMYWEDPPVXAJQU-UHFFFAOYSA-N 1 2 341.302 2.245 10 5 EEBELO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000159207988 463274719 /nfs/dbraw/zinc/27/47/19/463274719.db2.gz GQOLXGPHOJWMCM-HNNXBMFYSA-N 1 2 329.356 2.333 10 5 EEBELO O=[N+]([O-])c1ccc(CCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000105788324 463464013 /nfs/dbraw/zinc/46/40/13/463464013.db2.gz DPNJDDSUAFHNCC-OAHLLOKOSA-N 1 2 343.387 2.001 10 5 EEBELO O=[N+]([O-])c1ccc(CCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000105788324 463464016 /nfs/dbraw/zinc/46/40/16/463464016.db2.gz DPNJDDSUAFHNCC-OAHLLOKOSA-N 1 2 343.387 2.001 10 5 EEBELO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]c(C4CC4)n3)C2)nc1 ZINC000127002751 463675611 /nfs/dbraw/zinc/67/56/11/463675611.db2.gz JHEHJNQZBIJNQN-LBPRGKRZSA-N 1 2 326.360 2.348 10 5 EEBELO O=C(NCc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263815224 464201814 /nfs/dbraw/zinc/20/18/14/464201814.db2.gz IHVQACLYGZUBHW-UHFFFAOYSA-N 1 2 329.360 2.407 10 5 EEBELO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281080528 464325347 /nfs/dbraw/zinc/32/53/47/464325347.db2.gz FZBOXZMBAKIZTC-UHFFFAOYSA-N 1 2 333.344 2.097 10 5 EEBELO NC(=O)c1coc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000189420943 464499563 /nfs/dbraw/zinc/49/95/63/464499563.db2.gz UMLNNNBXDKDREB-UHFFFAOYSA-N 1 2 341.270 2.178 10 5 EEBELO Cc1ccc[nH+]c1CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000295880438 464995115 /nfs/dbraw/zinc/99/51/15/464995115.db2.gz ZRQQHYKMBKGFCT-UHFFFAOYSA-N 1 2 335.385 2.356 10 5 EEBELO Nc1nccc([C@@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000352403859 465524588 /nfs/dbraw/zinc/52/45/88/465524588.db2.gz YVBRTEZONLVVFC-SNVBAGLBSA-N 1 2 349.341 2.625 10 5 EEBELO Nc1nccc([C@@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000352403859 465524594 /nfs/dbraw/zinc/52/45/94/465524594.db2.gz YVBRTEZONLVVFC-SNVBAGLBSA-N 1 2 349.341 2.625 10 5 EEBELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000366375364 465688526 /nfs/dbraw/zinc/68/85/26/465688526.db2.gz JLZCCZGXKIINBX-CQSZACIVSA-N 1 2 326.418 2.384 10 5 EEBELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000366375364 465688531 /nfs/dbraw/zinc/68/85/31/465688531.db2.gz JLZCCZGXKIINBX-CQSZACIVSA-N 1 2 326.418 2.384 10 5 EEBELO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)o2)c1 ZINC000338964921 466528986 /nfs/dbraw/zinc/52/89/86/466528986.db2.gz NJQAQEKWOOBSIR-IYBDPMFKSA-N 1 2 330.340 2.454 10 5 EEBELO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4COC[C@H](C3)O4)o2)c1 ZINC000338964921 466528994 /nfs/dbraw/zinc/52/89/94/466528994.db2.gz NJQAQEKWOOBSIR-IYBDPMFKSA-N 1 2 330.340 2.454 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)n1 ZINC000427523312 467162618 /nfs/dbraw/zinc/16/26/18/467162618.db2.gz UDWDLAYIECESGE-UHFFFAOYSA-N 1 2 348.750 2.042 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000452846865 467431605 /nfs/dbraw/zinc/43/16/05/467431605.db2.gz MPTSSTVCSFGCBF-ZDUSSCGKSA-N 1 2 329.360 2.255 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000439151004 467566411 /nfs/dbraw/zinc/56/64/11/467566411.db2.gz DCZOSXCVLDSNFG-UHFFFAOYSA-N 1 2 342.359 2.708 10 5 EEBELO COCc1n[nH]c(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000594970339 468734886 /nfs/dbraw/zinc/73/48/86/468734886.db2.gz YQHKXFGBWCRFIE-UHFFFAOYSA-N 1 2 343.343 2.409 10 5 EEBELO Cc1cccn2c(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c[nH+]c12 ZINC000598262782 468811183 /nfs/dbraw/zinc/81/11/83/468811183.db2.gz OTDHQAAUEIUUEC-UHFFFAOYSA-N 1 2 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CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597625366 468620076 /nfs/dbraw/zinc/62/00/76/468620076.db2.gz AOSBZESGUYRNOV-ZDUSSCGKSA-N 1 2 328.372 2.124 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595823359 469028045 /nfs/dbraw/zinc/02/80/45/469028045.db2.gz JDLCOJFIRDPIQW-CYBMUJFWSA-N 1 2 340.811 2.436 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595823359 469028050 /nfs/dbraw/zinc/02/80/50/469028050.db2.gz JDLCOJFIRDPIQW-CYBMUJFWSA-N 1 2 340.811 2.436 10 5 EEBELO CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000611783494 469322727 /nfs/dbraw/zinc/32/27/27/469322727.db2.gz NZNDMVVVDWJEQZ-UHFFFAOYSA-N 1 2 348.790 2.383 10 5 EEBELO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000611783494 469322729 /nfs/dbraw/zinc/32/27/29/469322729.db2.gz NZNDMVVVDWJEQZ-UHFFFAOYSA-N 1 2 348.790 2.383 10 5 EEBELO C[N@@H+](CC(=O)Nc1cccc(F)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580381 577463183 /nfs/dbraw/zinc/46/31/83/577463183.db2.gz YDQPWXOPSVLHMH-MRXNPFEDSA-N 1 2 347.346 2.338 10 5 EEBELO C[N@H+](CC(=O)Nc1cccc(F)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580381 577463184 /nfs/dbraw/zinc/46/31/84/577463184.db2.gz YDQPWXOPSVLHMH-MRXNPFEDSA-N 1 2 347.346 2.338 10 5 EEBELO COC1(c2ccccc2)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000794757688 1197962517 /nfs/dbraw/zinc/96/25/17/1197962517.db2.gz QMTJBCUHYSYHNE-KRWDZBQOSA-N 1 2 328.368 2.486 10 5 EEBELO C[NH+](C)Cc1csc(CNC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000927771202 1206301178 /nfs/dbraw/zinc/30/11/78/1206301178.db2.gz IBURACUFXYSQEZ-UHFFFAOYSA-N 1 2 326.403 2.104 10 5 EEBELO CNC(=O)c1ccc(NCc2[nH]c3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC001187715705 1279626384 /nfs/dbraw/zinc/62/63/84/1279626384.db2.gz BLCPUWSHEKQVQM-UHFFFAOYSA-N 1 2 329.360 2.168 10 5 EEBELO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001303306370 1331352317 /nfs/dbraw/zinc/35/23/17/1331352317.db2.gz 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2.421 10 5 EEBELO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912615276 788270896 /nfs/dbraw/zinc/27/08/96/788270896.db2.gz KEHBLAZPVCITDE-UHFFFAOYSA-N 1 2 332.360 2.355 10 5 EEBELO C[C@@]1(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)COC(=O)N1 ZINC001176209589 798379980 /nfs/dbraw/zinc/37/99/80/798379980.db2.gz HPIDSUAXCCSQBI-INIZCTEOSA-N 1 2 335.360 2.011 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC001170548561 812583577 /nfs/dbraw/zinc/58/35/77/812583577.db2.gz HGLCNCVSEIMZMX-HNNXBMFYSA-N 1 2 348.330 2.344 10 5 EEBELO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001471233534 1110519437 /nfs/dbraw/zinc/51/94/37/1110519437.db2.gz AORFKQLIGXTDOB-HNNXBMFYSA-N 1 2 326.356 2.094 10 5 EEBELO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001471233534 1110519438 /nfs/dbraw/zinc/51/94/38/1110519438.db2.gz AORFKQLIGXTDOB-HNNXBMFYSA-N 1 2 326.356 2.094 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](Nc4ncccn4)C3)nc2c1 ZINC001473863862 1110582667 /nfs/dbraw/zinc/58/26/67/1110582667.db2.gz GUZSXBRCOBCFLA-NSHDSACASA-N 1 2 340.343 2.212 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](Nc4ncccn4)C3)nc2c1 ZINC001473863862 1110582668 /nfs/dbraw/zinc/58/26/68/1110582668.db2.gz GUZSXBRCOBCFLA-NSHDSACASA-N 1 2 340.343 2.212 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)c1 ZINC001527794805 1120872163 /nfs/dbraw/zinc/87/21/63/1120872163.db2.gz NQZQGLRMFRUWIS-UHFFFAOYSA-N 1 2 339.355 2.036 10 5 EEBELO CC(C)COC1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC001544900027 1124172245 /nfs/dbraw/zinc/17/22/45/1124172245.db2.gz CTEMQHGABPBSKS-UHFFFAOYSA-N 1 2 344.371 2.278 10 5 EEBELO O=C(NC1(CF)CCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456044902 244138079 /nfs/dbraw/zinc/13/80/79/244138079.db2.gz GUBKZVAPLMHYBJ-UHFFFAOYSA-N 1 2 348.334 2.029 10 5 EEBELO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000110952667 291689940 /nfs/dbraw/zinc/68/99/40/291689940.db2.gz 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C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000364318718 165093895 /nfs/dbraw/zinc/09/38/95/165093895.db2.gz RPEOBOLNIVBJMU-RNCFNFMXSA-N 1 2 339.779 2.032 10 5 EEBELO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364318718 165093900 /nfs/dbraw/zinc/09/39/00/165093900.db2.gz RPEOBOLNIVBJMU-RNCFNFMXSA-N 1 2 339.779 2.032 10 5 EEBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364860291 165298821 /nfs/dbraw/zinc/29/88/21/165298821.db2.gz OSABPMSJQXXNBE-JTQLQIEISA-N 1 2 336.298 2.083 10 5 EEBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364860291 165298825 /nfs/dbraw/zinc/29/88/25/165298825.db2.gz OSABPMSJQXXNBE-JTQLQIEISA-N 1 2 336.298 2.083 10 5 EEBELO CCOc1cc(N2CC[NH+](Cc3n[nH]cc3C)CC2)ccc1[N+](=O)[O-] ZINC000291621863 275323877 /nfs/dbraw/zinc/32/38/77/275323877.db2.gz RRPKADQCUFJMFI-UHFFFAOYSA-N 1 2 345.403 2.347 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000299651919 294796358 /nfs/dbraw/zinc/79/63/58/294796358.db2.gz OUGWAWGMAGYLBE-UHFFFAOYSA-N 1 2 340.383 2.256 10 5 EEBELO CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452935375 315618028 /nfs/dbraw/zinc/61/80/28/315618028.db2.gz QEHFKNWTKDDHBX-ZIAGYGMSSA-N 1 2 344.371 2.014 10 5 EEBELO C[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)CS(C)(=O)=O ZINC000153322437 462638387 /nfs/dbraw/zinc/63/83/87/462638387.db2.gz BSSLFAMLWYTQKL-LBPRGKRZSA-N 1 2 326.418 2.240 10 5 EEBELO C[C@@H](C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)CS(C)(=O)=O ZINC000153322437 462638390 /nfs/dbraw/zinc/63/83/90/462638390.db2.gz BSSLFAMLWYTQKL-LBPRGKRZSA-N 1 2 326.418 2.240 10 5 EEBELO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000170688438 463696078 /nfs/dbraw/zinc/69/60/78/463696078.db2.gz LMIQUJHGSGZYGX-NSHDSACASA-N 1 2 327.768 2.298 10 5 EEBELO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000170688438 463696080 /nfs/dbraw/zinc/69/60/80/463696080.db2.gz 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CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371823478 466018252 /nfs/dbraw/zinc/01/82/52/466018252.db2.gz QXDQNJNBNLPXCQ-RUNBWSAHSA-N 1 2 326.356 2.395 10 5 EEBELO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000341065821 466555913 /nfs/dbraw/zinc/55/59/13/466555913.db2.gz VDTNAHOGGCSLAG-TXEJJXNPSA-N 1 2 345.403 2.464 10 5 EEBELO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000341065821 466555919 /nfs/dbraw/zinc/55/59/19/466555919.db2.gz VDTNAHOGGCSLAG-TXEJJXNPSA-N 1 2 345.403 2.464 10 5 EEBELO COc1ccc(OCC[N@@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411877728 466923946 /nfs/dbraw/zinc/92/39/46/466923946.db2.gz RRIOXVBANPEFNN-KRWDZBQOSA-N 1 2 336.388 2.483 10 5 EEBELO COc1ccc(OCC[N@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411877728 466923949 /nfs/dbraw/zinc/92/39/49/466923949.db2.gz RRIOXVBANPEFNN-KRWDZBQOSA-N 1 2 336.388 2.483 10 5 EEBELO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 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C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000102770800 679969433 /nfs/dbraw/zinc/96/94/33/679969433.db2.gz SQMALKHUBBHDGH-NSHDSACASA-N 1 2 327.768 2.298 10 5 EEBELO Cc1cc(OCC(=O)NCC(C)(C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000898907770 693522184 /nfs/dbraw/zinc/52/21/84/693522184.db2.gz YUMKCRMVTVETJJ-UHFFFAOYSA-N 1 2 332.360 2.030 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCc2ncccc21 ZINC001266584721 1176890774 /nfs/dbraw/zinc/89/07/74/1176890774.db2.gz CJZJKCOWTDZRPW-UHFFFAOYSA-N 1 2 335.323 2.378 10 5 EEBELO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC001687475522 1193520418 /nfs/dbraw/zinc/52/04/18/1193520418.db2.gz HYXVJRMAEPJULI-QZTJIDSGSA-N 1 2 343.427 2.264 10 5 EEBELO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000928528409 1206396708 /nfs/dbraw/zinc/39/67/08/1206396708.db2.gz BFJRXYPIUMSPKA-LBPRGKRZSA-N 1 2 330.344 2.032 10 5 EEBELO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859662904 1294581595 /nfs/dbraw/zinc/58/15/95/1294581595.db2.gz HIWJYCFGQSVWPE-PHIMTYICSA-N 1 2 338.335 2.333 10 5 EEBELO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000859662904 1294581611 /nfs/dbraw/zinc/58/16/11/1294581611.db2.gz HIWJYCFGQSVWPE-PHIMTYICSA-N 1 2 338.335 2.333 10 5 EEBELO CN(C)c1cc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)cc[nH+]1 ZINC000842652272 1315745874 /nfs/dbraw/zinc/74/58/74/1315745874.db2.gz OBBLEPSRTVGBEB-UHFFFAOYSA-N 1 2 328.372 2.145 10 5 EEBELO Cc1cnc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC001293966666 1328847250 /nfs/dbraw/zinc/84/72/50/1328847250.db2.gz KXUMGZLEUAMZRB-UHFFFAOYSA-N 1 2 327.300 2.007 10 5 EEBELO Nc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1[N+](=O)[O-] ZINC001298874632 1330130145 /nfs/dbraw/zinc/13/01/45/1330130145.db2.gz ANQAMHGLYLTXNT-UHFFFAOYSA-N 1 2 339.311 2.321 10 5 EEBELO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C1 ZINC001305600761 1331432371 /nfs/dbraw/zinc/43/23/71/1331432371.db2.gz 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2.075 10 5 EEBELO COc1ccc(OCC[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001659412726 1354380786 /nfs/dbraw/zinc/38/07/86/1354380786.db2.gz VKEAAEGGPZGBQM-HZSPNIEDSA-N 1 2 336.388 2.075 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000588448227 759999321 /nfs/dbraw/zinc/99/93/21/759999321.db2.gz PKNKNXYOCVVCMH-FZDNWWAKSA-N 1 2 334.372 2.262 10 5 EEBELO Cc1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[nH+]c1C ZINC001566257677 1125593742 /nfs/dbraw/zinc/59/37/42/1125593742.db2.gz CXDIXZHKIWAYNM-UHFFFAOYSA-N 1 2 325.328 2.413 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000175153327 231394754 /nfs/dbraw/zinc/39/47/54/231394754.db2.gz HDFKEKWKPJEIIS-UHFFFAOYSA-N 1 2 343.387 2.106 10 5 EEBELO COC(=O)c1ccc(Oc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])cc1 ZINC000040587917 213354873 /nfs/dbraw/zinc/35/48/73/213354873.db2.gz SFPDHVDGBSVXCT-UHFFFAOYSA-N 1 2 341.283 2.149 10 5 EEBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344241593 284237908 /nfs/dbraw/zinc/23/79/08/284237908.db2.gz BHRASPUEEBKAHL-JTQLQIEISA-N 1 2 325.328 2.087 10 5 EEBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344241593 284237912 /nfs/dbraw/zinc/23/79/12/284237912.db2.gz BHRASPUEEBKAHL-JTQLQIEISA-N 1 2 325.328 2.087 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273712794 256320631 /nfs/dbraw/zinc/32/06/31/256320631.db2.gz ONYHSFFOIRQTOJ-GFCCVEGCSA-N 1 2 331.351 2.407 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110958082 142349967 /nfs/dbraw/zinc/34/99/67/142349967.db2.gz WAPUZUROQHNXAY-MRXNPFEDSA-N 1 2 347.415 2.230 10 5 EEBELO CCOC(=O)c1ccnc(Nc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000077909297 292190914 /nfs/dbraw/zinc/19/09/14/292190914.db2.gz ZXIAUMQWWGAGLT-UHFFFAOYSA-N 1 2 331.332 2.371 10 5 EEBELO CO[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000191627194 152263809 /nfs/dbraw/zinc/26/38/09/152263809.db2.gz BNTJSLQLMAYWIC-CHWSQXEVSA-N 1 2 330.344 2.078 10 5 EEBELO Cc1csc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352549607 162183209 /nfs/dbraw/zinc/18/32/09/162183209.db2.gz DPEFRGHQBVMNHZ-UHFFFAOYSA-N 1 2 334.401 2.473 10 5 EEBELO Cc1csc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352549607 162183212 /nfs/dbraw/zinc/18/32/12/162183212.db2.gz DPEFRGHQBVMNHZ-UHFFFAOYSA-N 1 2 334.401 2.473 10 5 EEBELO CCOC(=O)C1(O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272781366 269020180 /nfs/dbraw/zinc/02/01/80/269020180.db2.gz HSEMUWGSOVDGGA-UHFFFAOYSA-N 1 2 342.779 2.138 10 5 EEBELO C[C@@H]1C[N@@H+](CCN(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000278895298 269248550 /nfs/dbraw/zinc/24/85/50/269248550.db2.gz QDYCWQHILFFJPS-PHIMTYICSA-N 1 2 328.800 2.189 10 5 EEBELO C[C@@H]1C[N@H+](CCN(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000278895298 269248552 /nfs/dbraw/zinc/24/85/52/269248552.db2.gz QDYCWQHILFFJPS-PHIMTYICSA-N 1 2 328.800 2.189 10 5 EEBELO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000181836481 274008806 /nfs/dbraw/zinc/00/88/06/274008806.db2.gz IYLRNFYGKGSWAI-HNNXBMFYSA-N 1 2 329.356 2.333 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110958086 301430590 /nfs/dbraw/zinc/43/05/90/301430590.db2.gz WAPUZUROQHNXAY-INIZCTEOSA-N 1 2 347.415 2.230 10 5 EEBELO Cc1c(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000577347101 320249880 /nfs/dbraw/zinc/24/98/80/320249880.db2.gz AGVREGZWKZQKCY-GFCCVEGCSA-N 1 2 331.376 2.096 10 5 EEBELO Cc1c(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000577347101 320249881 /nfs/dbraw/zinc/24/98/81/320249881.db2.gz AGVREGZWKZQKCY-GFCCVEGCSA-N 1 2 331.376 2.096 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000120038587 462955206 /nfs/dbraw/zinc/95/52/06/462955206.db2.gz VLAQMXOMQGFEKT-UHFFFAOYSA-N 1 2 345.403 2.489 10 5 EEBELO CN(C)c1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000031527975 463343054 /nfs/dbraw/zinc/34/30/54/463343054.db2.gz NYWCGDZLXNXSRY-UHFFFAOYSA-N 1 2 336.373 2.203 10 5 EEBELO CC(C)n1nnnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245104 464383439 /nfs/dbraw/zinc/38/34/39/464383439.db2.gz KEXWQLMYDNMHDB-UHFFFAOYSA-N 1 2 346.391 2.206 10 5 EEBELO COc1cc(C[NH+]2CCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000554513728 468411964 /nfs/dbraw/zinc/41/19/64/468411964.db2.gz GEFGOGVIUYBLEQ-UHFFFAOYSA-N 1 2 334.401 2.382 10 5 EEBELO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1F ZINC000356877697 465594540 /nfs/dbraw/zinc/59/45/40/465594540.db2.gz GEVDJTFTKJRAFB-NSHDSACASA-N 1 2 344.346 2.925 10 5 EEBELO C[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000357821975 466241166 /nfs/dbraw/zinc/24/11/66/466241166.db2.gz XLQLKXZRPBAQGQ-PWSUYJOCSA-N 1 2 329.360 2.236 10 5 EEBELO C[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000357821975 466241170 /nfs/dbraw/zinc/24/11/70/466241170.db2.gz XLQLKXZRPBAQGQ-PWSUYJOCSA-N 1 2 329.360 2.236 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000363707042 466572261 /nfs/dbraw/zinc/57/22/61/466572261.db2.gz ADIJCOBLZMTZKB-LBPRGKRZSA-N 1 2 329.360 2.386 10 5 EEBELO COc1ccc(NC(=O)CC[N@@H+]2Cc3cccnc3C2)c([N+](=O)[O-])c1 ZINC000559761323 468754935 /nfs/dbraw/zinc/75/49/35/468754935.db2.gz ASFGSDIZWDYWAF-UHFFFAOYSA-N 1 2 342.355 2.343 10 5 EEBELO COc1ccc(NC(=O)CC[N@H+]2Cc3cccnc3C2)c([N+](=O)[O-])c1 ZINC000559761323 468754940 /nfs/dbraw/zinc/75/49/40/468754940.db2.gz ASFGSDIZWDYWAF-UHFFFAOYSA-N 1 2 342.355 2.343 10 5 EEBELO C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000584268880 468831160 /nfs/dbraw/zinc/83/11/60/468831160.db2.gz LHEAKCDESWTBKQ-GFCCVEGCSA-N 1 2 328.372 2.476 10 5 EEBELO Cc1cc(NCCNc2ncc([N+](=O)[O-])cc2F)nc(C(C)C)[nH+]1 ZINC000599147298 469136572 /nfs/dbraw/zinc/13/65/72/469136572.db2.gz JSEUVARFKJJGRJ-UHFFFAOYSA-N 1 2 334.355 2.875 10 5 EEBELO O=C(CCCn1cc[nH+]c1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000589063364 469189831 /nfs/dbraw/zinc/18/98/31/469189831.db2.gz LYLBQZIDRKAIDR-UHFFFAOYSA-N 1 2 341.371 2.412 10 5 EEBELO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596308147 469239075 /nfs/dbraw/zinc/23/90/75/469239075.db2.gz FPNFMFRIOHFARK-LBPRGKRZSA-N 1 2 341.433 2.283 10 5 EEBELO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596308147 469239077 /nfs/dbraw/zinc/23/90/77/469239077.db2.gz FPNFMFRIOHFARK-LBPRGKRZSA-N 1 2 341.433 2.283 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1C[C@H](O)C12CCC2 ZINC000596511384 469287991 /nfs/dbraw/zinc/28/79/91/469287991.db2.gz POBXJDIDDADTQG-IRXDYDNUSA-N 1 2 347.415 2.142 10 5 EEBELO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000596598650 469309861 /nfs/dbraw/zinc/30/98/61/469309861.db2.gz KCASNWRAIXUOLE-UHFFFAOYSA-N 1 2 343.387 2.001 10 5 EEBELO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000596598650 469309865 /nfs/dbraw/zinc/30/98/65/469309865.db2.gz KCASNWRAIXUOLE-UHFFFAOYSA-N 1 2 343.387 2.001 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)c1cc3cccc([N+](=O)[O-])c3[nH]1)CC2 ZINC000611847500 469333911 /nfs/dbraw/zinc/33/39/11/469333911.db2.gz UMXGSJXLNNGTPY-UHFFFAOYSA-N 1 2 325.328 2.237 10 5 EEBELO O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000077147978 490594514 /nfs/dbraw/zinc/59/45/14/490594514.db2.gz YYMAVWXPRNFMEH-CZUORRHYSA-N 1 2 344.371 2.061 10 5 EEBELO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000183333051 534470434 /nfs/dbraw/zinc/47/04/34/534470434.db2.gz BHENQJPQAJHLQU-ZDUSSCGKSA-N 1 2 345.403 2.473 10 5 EEBELO Cc1nn(C[N@@H+](C)CC(=O)NC(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764859516 577489629 /nfs/dbraw/zinc/48/96/29/577489629.db2.gz DECNHTPHXZUEIL-UHFFFAOYSA-N 1 2 333.392 2.057 10 5 EEBELO Cc1nn(C[N@H+](C)CC(=O)NC(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764859516 577489630 /nfs/dbraw/zinc/48/96/30/577489630.db2.gz DECNHTPHXZUEIL-UHFFFAOYSA-N 1 2 333.392 2.057 10 5 EEBELO Cn1c[nH+]cc1Cc1noc(COc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000762412922 577700808 /nfs/dbraw/zinc/70/08/08/577700808.db2.gz XTLOXPAWOUFJOH-UHFFFAOYSA-N 1 2 333.279 2.020 10 5 EEBELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cc([N+](=O)[O-])ccc1F ZINC000736018688 578177288 /nfs/dbraw/zinc/17/72/88/578177288.db2.gz GWUSDQKEVRUPTE-UHFFFAOYSA-N 1 2 341.302 2.245 10 5 EEBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000898484188 693331563 /nfs/dbraw/zinc/33/15/63/693331563.db2.gz ROSARMYQIQKXJN-NSHDSACASA-N 1 2 329.759 2.412 10 5 EEBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000898484188 693331568 /nfs/dbraw/zinc/33/15/68/693331568.db2.gz ROSARMYQIQKXJN-NSHDSACASA-N 1 2 329.759 2.412 10 5 EEBELO CCC[N@H+](CCNC(=O)c1cccnn1)Cc1csc([N+](=O)[O-])c1 ZINC001267319182 1178749074 /nfs/dbraw/zinc/74/90/74/1178749074.db2.gz YHRBDGAGDUHSQT-UHFFFAOYSA-N 1 2 349.416 2.088 10 5 EEBELO CCC[N@@H+](CCNC(=O)c1cccnn1)Cc1csc([N+](=O)[O-])c1 ZINC001267319182 1178749077 /nfs/dbraw/zinc/74/90/77/1178749077.db2.gz YHRBDGAGDUHSQT-UHFFFAOYSA-N 1 2 349.416 2.088 10 5 EEBELO CC(C)CC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000828070303 1195719881 /nfs/dbraw/zinc/71/98/81/1195719881.db2.gz DGLDJRWLHONCPY-UHFFFAOYSA-N 1 2 347.415 2.358 10 5 EEBELO C[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000865581726 1198285481 /nfs/dbraw/zinc/28/54/81/1198285481.db2.gz SQFLJZFECYEBJP-QWHCGFSZSA-N 1 2 331.376 2.074 10 5 EEBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000879128159 1200877103 /nfs/dbraw/zinc/87/71/03/1200877103.db2.gz FXBGLAZJTBUZRI-IAGOWNOFSA-N 1 2 332.331 2.358 10 5 EEBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000879128159 1200877108 /nfs/dbraw/zinc/87/71/08/1200877108.db2.gz FXBGLAZJTBUZRI-IAGOWNOFSA-N 1 2 332.331 2.358 10 5 EEBELO COC(=O)c1ccnc(NC[C@@H]2c3ccccc3C[N@H+]2C)c1[N+](=O)[O-] ZINC000866194077 1201461844 /nfs/dbraw/zinc/46/18/44/1201461844.db2.gz GKJRLUFGSUSHSH-CQSZACIVSA-N 1 2 342.355 2.375 10 5 EEBELO COC(=O)c1ccnc(NC[C@@H]2c3ccccc3C[N@@H+]2C)c1[N+](=O)[O-] ZINC000866194077 1201461846 /nfs/dbraw/zinc/46/18/46/1201461846.db2.gz GKJRLUFGSUSHSH-CQSZACIVSA-N 1 2 342.355 2.375 10 5 EEBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000882315484 1201848742 /nfs/dbraw/zinc/84/87/42/1201848742.db2.gz IZOFNXIESQAZDN-HNNXBMFYSA-N 1 2 347.415 2.346 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801566595 1235845906 /nfs/dbraw/zinc/84/59/06/1235845906.db2.gz CEBIXWGOBVVGMH-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801566595 1235845916 /nfs/dbraw/zinc/84/59/16/1235845916.db2.gz CEBIXWGOBVVGMH-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO O=c1[nH]c(C2CC2)nc2c1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001620551427 1352360291 /nfs/dbraw/zinc/36/02/91/1352360291.db2.gz QAFBIUJQTBMWDO-HNNXBMFYSA-N 1 2 342.355 2.017 10 5 EEBELO O=c1[nH]c(C2CC2)nc2c1C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC001620551427 1352360296 /nfs/dbraw/zinc/36/02/96/1352360296.db2.gz QAFBIUJQTBMWDO-HNNXBMFYSA-N 1 2 342.355 2.017 10 5 EEBELO CC(C)c1[nH]cc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[nH+]1 ZINC001652742851 1354101110 /nfs/dbraw/zinc/10/11/10/1354101110.db2.gz DHCPZJTWFYIDKI-UHFFFAOYSA-N 1 2 342.359 2.107 10 5 EEBELO CC(C)c1[nH]c(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC001652742851 1354101111 /nfs/dbraw/zinc/10/11/11/1354101111.db2.gz DHCPZJTWFYIDKI-UHFFFAOYSA-N 1 2 342.359 2.107 10 5 EEBELO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001655655191 1354181223 /nfs/dbraw/zinc/18/12/23/1354181223.db2.gz KOGNGSLLVFLCGV-IAQYHMDHSA-N 1 2 341.371 2.453 10 5 EEBELO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@@](O)(C(F)F)C3)c2)c1 ZINC000840118103 782323601 /nfs/dbraw/zinc/32/36/01/782323601.db2.gz LBYAVFNZHGQPSY-HNNXBMFYSA-N 1 2 338.314 2.118 10 5 EEBELO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@](O)(C(F)F)C3)c2)c1 ZINC000840118103 782323604 /nfs/dbraw/zinc/32/36/04/782323604.db2.gz LBYAVFNZHGQPSY-HNNXBMFYSA-N 1 2 338.314 2.118 10 5 EEBELO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000822571116 787272792 /nfs/dbraw/zinc/27/27/92/787272792.db2.gz VWOTVXPISKFLEZ-INIZCTEOSA-N 1 2 346.431 2.116 10 5 EEBELO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001146934492 791582855 /nfs/dbraw/zinc/58/28/55/791582855.db2.gz NTVMWKFVXWAUNO-HNNXBMFYSA-N 1 2 329.360 2.015 10 5 EEBELO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001146934492 791582863 /nfs/dbraw/zinc/58/28/63/791582863.db2.gz NTVMWKFVXWAUNO-HNNXBMFYSA-N 1 2 329.360 2.015 10 5 EEBELO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC001543420481 1124129673 /nfs/dbraw/zinc/12/96/73/1124129673.db2.gz VROLPRGXEGFTEO-UHFFFAOYSA-N 1 2 348.384 2.066 10 5 EEBELO CNc1ccc(CNc2ccc[nH+]c2N2CCOCC2)cc1[N+](=O)[O-] ZINC000095436135 218378489 /nfs/dbraw/zinc/37/84/89/218378489.db2.gz ALPMJBHVYYKQPI-UHFFFAOYSA-N 1 2 343.387 2.480 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000109819280 159353743 /nfs/dbraw/zinc/35/37/43/159353743.db2.gz DYKXXMSTQTXWJC-KRWDZBQOSA-N 1 2 349.431 2.290 10 5 EEBELO COc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000351978074 162010924 /nfs/dbraw/zinc/01/09/24/162010924.db2.gz MNLPRKOAODCDCV-UHFFFAOYSA-N 1 2 328.372 2.321 10 5 EEBELO COc1cc(C[NH+]2CCN(c3ccc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000352771010 162281147 /nfs/dbraw/zinc/28/11/47/162281147.db2.gz VKENTUSOVUDAHH-UHFFFAOYSA-N 1 2 346.362 2.460 10 5 EEBELO CCOc1ccc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000374379719 167029690 /nfs/dbraw/zinc/02/96/90/167029690.db2.gz HYGSNSSFYMCSCH-ZDUSSCGKSA-N 1 2 344.371 2.357 10 5 EEBELO C[NH+]1CCN(C[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000065568659 277107150 /nfs/dbraw/zinc/10/71/50/277107150.db2.gz XYAZFRWVMLIUBY-AWEZNQCLSA-N 1 2 336.411 2.198 10 5 EEBELO Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(C)c[nH+]1 ZINC000566479934 319293864 /nfs/dbraw/zinc/29/38/64/319293864.db2.gz VNIKSLJNZDETBZ-UHFFFAOYSA-N 1 2 347.400 2.026 10 5 EEBELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000153155056 462621194 /nfs/dbraw/zinc/62/11/94/462621194.db2.gz XDUKPLBAVRHZRW-ZIAGYGMSSA-N 1 2 331.416 2.457 10 5 EEBELO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000153155056 462621199 /nfs/dbraw/zinc/62/11/99/462621199.db2.gz XDUKPLBAVRHZRW-ZIAGYGMSSA-N 1 2 331.416 2.457 10 5 EEBELO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1)N1CCCC1 ZINC000076047761 462793343 /nfs/dbraw/zinc/79/33/43/462793343.db2.gz YSZBYJQEHVTBOT-QGZVFWFLSA-N 1 2 347.415 2.198 10 5 EEBELO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1)N1CCCC1 ZINC000076047761 462793346 /nfs/dbraw/zinc/79/33/46/462793346.db2.gz YSZBYJQEHVTBOT-QGZVFWFLSA-N 1 2 347.415 2.198 10 5 EEBELO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000076049955 462794452 /nfs/dbraw/zinc/79/44/52/462794452.db2.gz BORONTKHYWQEMW-INIZCTEOSA-N 1 2 347.415 2.198 10 5 EEBELO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000076049955 462794456 /nfs/dbraw/zinc/79/44/56/462794456.db2.gz BORONTKHYWQEMW-INIZCTEOSA-N 1 2 347.415 2.198 10 5 EEBELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000131737722 462824274 /nfs/dbraw/zinc/82/42/74/462824274.db2.gz OJTIESMYQXBQOL-RHSMWYFYSA-N 1 2 343.383 2.219 10 5 EEBELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000131737722 462824278 /nfs/dbraw/zinc/82/42/78/462824278.db2.gz OJTIESMYQXBQOL-RHSMWYFYSA-N 1 2 343.383 2.219 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000154997296 462833842 /nfs/dbraw/zinc/83/38/42/462833842.db2.gz SYAUATDKPGULAH-UHFFFAOYSA-N 1 2 347.375 2.013 10 5 EEBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)CN1CCOCC1 ZINC000124446949 463423763 /nfs/dbraw/zinc/42/37/63/463423763.db2.gz LIUZVVBXWUGBMN-UHFFFAOYSA-N 1 2 327.450 2.447 10 5 EEBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC(C)(C)CN1CCOCC1 ZINC000124446949 463423767 /nfs/dbraw/zinc/42/37/67/463423767.db2.gz LIUZVVBXWUGBMN-UHFFFAOYSA-N 1 2 327.450 2.447 10 5 EEBELO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCO[C@@H](C3CCC3)C1)OCCO2 ZINC000591263130 468434117 /nfs/dbraw/zinc/43/41/17/468434117.db2.gz KXEZVYSYQUBNCC-QGZVFWFLSA-N 1 2 334.372 2.367 10 5 EEBELO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCO[C@@H](C3CCC3)C1)OCCO2 ZINC000591263130 468434121 /nfs/dbraw/zinc/43/41/21/468434121.db2.gz KXEZVYSYQUBNCC-QGZVFWFLSA-N 1 2 334.372 2.367 10 5 EEBELO CCc1cc(NCCc2cn[nH]c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000357631263 466193204 /nfs/dbraw/zinc/19/32/04/466193204.db2.gz RTXKVJUHIGKUHP-UHFFFAOYSA-N 1 2 338.371 2.414 10 5 EEBELO Cc1cc(N2C[C@H](O)C3(CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000363777064 466612110 /nfs/dbraw/zinc/61/21/10/466612110.db2.gz VOWUPCIEAVYQJS-AWEZNQCLSA-N 1 2 326.356 2.321 10 5 EEBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412198468 467036797 /nfs/dbraw/zinc/03/67/97/467036797.db2.gz NDLAJXCDKFPBER-FPMFFAJLSA-N 1 2 326.356 2.095 10 5 EEBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412198468 467036799 /nfs/dbraw/zinc/03/67/99/467036799.db2.gz NDLAJXCDKFPBER-FPMFFAJLSA-N 1 2 326.356 2.095 10 5 EEBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000457889685 467723802 /nfs/dbraw/zinc/72/38/02/467723802.db2.gz UXLGZSTXJGGEEJ-NSHDSACASA-N 1 2 334.401 2.168 10 5 EEBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599174564 469149621 /nfs/dbraw/zinc/14/96/21/469149621.db2.gz YOPSBWVCMCWCBZ-OLZOCXBDSA-N 1 2 347.396 2.299 10 5 EEBELO Nc1ccc(CCC(=O)OCCOc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000751460593 577753307 /nfs/dbraw/zinc/75/33/07/577753307.db2.gz NPXPALAASLQMGR-UHFFFAOYSA-N 1 2 331.328 2.127 10 5 EEBELO Cn1cc[nH+]c1CN1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735492778 578155445 /nfs/dbraw/zinc/15/54/45/578155445.db2.gz SWYFVRDKAGHUPT-UHFFFAOYSA-N 1 2 349.822 2.300 10 5 EEBELO Cn1c[nH+]cc1CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001132508958 1199809599 /nfs/dbraw/zinc/80/95/99/1199809599.db2.gz FUFPROQWCQOBJB-UHFFFAOYSA-N 1 2 339.149 2.021 10 5 EEBELO CC(C)(CCc1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1)[N+](=O)[O-] ZINC000812811416 1200923067 /nfs/dbraw/zinc/92/30/67/1200923067.db2.gz UYWOYRJPXQTSEP-UHFFFAOYSA-N 1 2 328.332 2.305 10 5 EEBELO CN1c2ccccc2C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000857888416 1293943317 /nfs/dbraw/zinc/94/33/17/1293943317.db2.gz ZBQRAIRFDVWHBJ-KRWDZBQOSA-N 1 2 341.367 2.107 10 5 EEBELO CN1c2ccccc2C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000857888416 1293943321 /nfs/dbraw/zinc/94/33/21/1293943321.db2.gz ZBQRAIRFDVWHBJ-KRWDZBQOSA-N 1 2 341.367 2.107 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC001150594216 1316309731 /nfs/dbraw/zinc/30/97/31/1316309731.db2.gz YAWOFNAUUYZQSW-XHDPSFHLSA-N 1 2 329.360 2.218 10 5 EEBELO Cc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001150730613 1316355775 /nfs/dbraw/zinc/35/57/75/1316355775.db2.gz USJJTUFKYSDCIF-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO COc1ccc([N+](=O)[O-])c(C(=O)NCCCN(C)c2cccc[nH+]2)c1 ZINC001153114999 1316778886 /nfs/dbraw/zinc/77/88/86/1316778886.db2.gz YOFDBOLZGVCUIS-UHFFFAOYSA-N 1 2 344.371 2.255 10 5 EEBELO CCc1[nH]c(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001156538164 1318063337 /nfs/dbraw/zinc/06/33/37/1318063337.db2.gz NNZFJXHPQIKIDX-UHFFFAOYSA-N 1 2 331.376 2.389 10 5 EEBELO CCc1[nH]cc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001156538164 1318063346 /nfs/dbraw/zinc/06/33/46/1318063346.db2.gz NNZFJXHPQIKIDX-UHFFFAOYSA-N 1 2 331.376 2.389 10 5 EEBELO Cc1noc(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000851791393 1331599467 /nfs/dbraw/zinc/59/94/67/1331599467.db2.gz ZCKFIVIILUYQLC-LLVKDONJSA-N 1 2 340.380 2.380 10 5 EEBELO Cc1noc(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] 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CC(C)(C)c1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000598944545 469060729 /nfs/dbraw/zinc/06/07/29/469060729.db2.gz PNQMXKKNGYNWGR-LBPRGKRZSA-N 1 2 328.372 2.444 10 5 EEBELO CC(=O)N1CC[C@@H](CN(C)c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599059295 469102856 /nfs/dbraw/zinc/10/28/56/469102856.db2.gz MJHZMNBWJWVRBA-ZDUSSCGKSA-N 1 2 328.372 2.448 10 5 EEBELO COc1ccc(COC(=O)CCc2ccc(N)[nH+]c2)cc1[N+](=O)[O-] ZINC000751457998 577753269 /nfs/dbraw/zinc/75/32/69/577753269.db2.gz IOWYAADKAHLBAQ-UHFFFAOYSA-N 1 2 331.328 2.257 10 5 EEBELO CSc1ccc(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898482468 693331023 /nfs/dbraw/zinc/33/10/23/693331023.db2.gz CQFBQVRMESWITB-LBPRGKRZSA-N 1 2 341.408 2.480 10 5 EEBELO CSc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898482468 693331028 /nfs/dbraw/zinc/33/10/28/693331028.db2.gz CQFBQVRMESWITB-LBPRGKRZSA-N 1 2 341.408 2.480 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000853652677 1292431806 /nfs/dbraw/zinc/43/18/06/1292431806.db2.gz RZRAWRMVRVWGHP-LBPRGKRZSA-N 1 2 339.367 2.044 10 5 EEBELO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001154301795 1317055142 /nfs/dbraw/zinc/05/51/42/1317055142.db2.gz RWNSVRJDDRYSQP-HZPDHXFCSA-N 1 2 349.431 2.409 10 5 EEBELO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[N@H+]1CCO[C@H](CC)C1 ZINC001154301795 1317055149 /nfs/dbraw/zinc/05/51/49/1317055149.db2.gz RWNSVRJDDRYSQP-HZPDHXFCSA-N 1 2 349.431 2.409 10 5 EEBELO CNc1cc(CNc2ccc(CC(=O)OC)cc2[N+](=O)[O-])cc[nH+]1 ZINC001612950720 1352312613 /nfs/dbraw/zinc/31/26/13/1352312613.db2.gz VPRVXBGCXGNTCB-UHFFFAOYSA-N 1 2 330.344 2.359 10 5 EEBELO O=C(Nc1cnc2n[nH]cc2c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001645457329 1352778554 /nfs/dbraw/zinc/77/85/54/1352778554.db2.gz LHRCLZAWFABLEX-UHFFFAOYSA-N 1 2 349.310 2.304 10 5 EEBELO Cc1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC001683418055 1358190430 /nfs/dbraw/zinc/19/04/30/1358190430.db2.gz FSHZBFVMLVLVGP-UHFFFAOYSA-N 1 2 329.360 2.210 10 5 EEBELO Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001525386057 1120310913 /nfs/dbraw/zinc/31/09/13/1120310913.db2.gz NMXXOQGGDDPREZ-UHFFFAOYSA-N 1 2 338.327 2.440 10 5 EEBELO CCc1nc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)co1 ZINC001545039764 1124176793 /nfs/dbraw/zinc/17/67/93/1124176793.db2.gz JRPIZCOUFVLILY-UHFFFAOYSA-N 1 2 341.327 2.261 10 5 EEBELO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194502680 160195576 /nfs/dbraw/zinc/19/55/76/160195576.db2.gz DIIVEECDUCNEGE-GFCCVEGCSA-N 1 2 332.320 2.028 10 5 EEBELO COc1c(C(=O)NCc2[nH+]ccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000356228246 163372851 /nfs/dbraw/zinc/37/28/51/163372851.db2.gz WSQUJAMRUHMVKL-UHFFFAOYSA-N 1 2 332.360 2.386 10 5 EEBELO O=c1nc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)[nH][nH]1 ZINC000289354693 275111157 /nfs/dbraw/zinc/11/11/57/275111157.db2.gz GQFSDKXJMYWKQT-SECBINFHSA-N 1 2 337.767 2.039 10 5 EEBELO O=c1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)[nH][nH]1 ZINC000289354693 275111158 /nfs/dbraw/zinc/11/11/58/275111158.db2.gz GQFSDKXJMYWKQT-SECBINFHSA-N 1 2 337.767 2.039 10 5 EEBELO CC(C)n1c[nH+]cc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000425371240 278139325 /nfs/dbraw/zinc/13/93/25/278139325.db2.gz POZXEAFOLLZDSI-UHFFFAOYSA-N 1 2 330.392 2.089 10 5 EEBELO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000414596980 313046557 /nfs/dbraw/zinc/04/65/57/313046557.db2.gz VVXIRVPAXWXXDR-YVEFUNNKSA-N 1 2 332.356 2.436 10 5 EEBELO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000414596980 313046559 /nfs/dbraw/zinc/04/65/59/313046559.db2.gz VVXIRVPAXWXXDR-YVEFUNNKSA-N 1 2 332.356 2.436 10 5 EEBELO COc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000515707995 316513181 /nfs/dbraw/zinc/51/31/81/316513181.db2.gz PEOWMMXQGHAUDG-UHFFFAOYSA-N 1 2 328.372 2.321 10 5 EEBELO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000047143225 462748084 /nfs/dbraw/zinc/74/80/84/462748084.db2.gz IADAVTXKGXVMBG-LLVKDONJSA-N 1 2 331.376 2.075 10 5 EEBELO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000047143225 462748089 /nfs/dbraw/zinc/74/80/89/462748089.db2.gz IADAVTXKGXVMBG-LLVKDONJSA-N 1 2 331.376 2.075 10 5 EEBELO COc1ccnc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000075717510 462753291 /nfs/dbraw/zinc/75/32/91/462753291.db2.gz CSZLCRQLHCILJR-CYBMUJFWSA-N 1 2 343.387 2.277 10 5 EEBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000092482261 462956248 /nfs/dbraw/zinc/95/62/48/462956248.db2.gz CYQVOJIMLQIAMX-UHFFFAOYSA-N 1 2 334.401 2.469 10 5 EEBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000092482261 462956254 /nfs/dbraw/zinc/95/62/54/462956254.db2.gz CYQVOJIMLQIAMX-UHFFFAOYSA-N 1 2 334.401 2.469 10 5 EEBELO CN(C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000070693708 463379345 /nfs/dbraw/zinc/37/93/45/463379345.db2.gz VGBNWCSZOULOLS-HOTGVXAUSA-N 1 2 333.388 2.201 10 5 EEBELO CN(C(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000070693708 463379346 /nfs/dbraw/zinc/37/93/46/463379346.db2.gz VGBNWCSZOULOLS-HOTGVXAUSA-N 1 2 333.388 2.201 10 5 EEBELO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](c2ccc(F)cc2)O1 ZINC000176262741 464734844 /nfs/dbraw/zinc/73/48/44/464734844.db2.gz HUMXFVXBRVKQLC-SWLSCSKDSA-N 1 2 334.351 2.392 10 5 EEBELO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](c2ccc(F)cc2)O1 ZINC000176262741 464734852 /nfs/dbraw/zinc/73/48/52/464734852.db2.gz HUMXFVXBRVKQLC-SWLSCSKDSA-N 1 2 334.351 2.392 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298757950 465496941 /nfs/dbraw/zinc/49/69/41/465496941.db2.gz OITOGAUEAQKXDG-OLZOCXBDSA-N 1 2 326.418 2.412 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298757950 465496948 /nfs/dbraw/zinc/49/69/48/465496948.db2.gz OITOGAUEAQKXDG-OLZOCXBDSA-N 1 2 326.418 2.412 10 5 EEBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000600063360 468446152 /nfs/dbraw/zinc/44/61/52/468446152.db2.gz WQFHYJQXVPSVAC-NSHDSACASA-N 1 2 329.360 2.343 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000371482789 465824851 /nfs/dbraw/zinc/82/48/51/465824851.db2.gz NWNVBADJUBWNRL-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000600228503 468502217 /nfs/dbraw/zinc/50/22/17/468502217.db2.gz CCYFJWJGSXKRPW-ZDUSSCGKSA-N 1 2 333.388 2.437 10 5 EEBELO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000600228503 468502219 /nfs/dbraw/zinc/50/22/19/468502219.db2.gz CCYFJWJGSXKRPW-ZDUSSCGKSA-N 1 2 333.388 2.437 10 5 EEBELO Cc1ccc(C2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c[nH+]1 ZINC000374660937 466707592 /nfs/dbraw/zinc/70/75/92/466707592.db2.gz GSQOWSLZBDFDLA-UHFFFAOYSA-N 1 2 341.371 2.176 10 5 EEBELO Cc1cn2c([nH+]1)CN([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000374674211 466711582 /nfs/dbraw/zinc/71/15/82/466711582.db2.gz AUAHTFOWLYGRCX-ZDUSSCGKSA-N 1 2 343.387 2.251 10 5 EEBELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427905061 467185524 /nfs/dbraw/zinc/18/55/24/467185524.db2.gz DRUGQISYPGYCBC-UHFFFAOYSA-N 1 2 342.355 2.094 10 5 EEBELO C[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000601101465 468741742 /nfs/dbraw/zinc/74/17/42/468741742.db2.gz RULXQGCSQPGVJD-QWHCGFSZSA-N 1 2 331.376 2.074 10 5 EEBELO COC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000593022773 468843633 /nfs/dbraw/zinc/84/36/33/468843633.db2.gz KHTRPCSEQKSPTL-CYBMUJFWSA-N 1 2 334.328 2.452 10 5 EEBELO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601383500 468851266 /nfs/dbraw/zinc/85/12/66/468851266.db2.gz QVFOGRSLRPDWEJ-VHSXEESVSA-N 1 2 347.462 2.068 10 5 EEBELO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601383500 468851270 /nfs/dbraw/zinc/85/12/70/468851270.db2.gz QVFOGRSLRPDWEJ-VHSXEESVSA-N 1 2 347.462 2.068 10 5 EEBELO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598507864 468892630 /nfs/dbraw/zinc/89/26/30/468892630.db2.gz DEMOCOKOAOWSGV-AWEZNQCLSA-N 1 2 341.367 2.305 10 5 EEBELO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598507864 468892637 /nfs/dbraw/zinc/89/26/37/468892637.db2.gz DEMOCOKOAOWSGV-AWEZNQCLSA-N 1 2 341.367 2.305 10 5 EEBELO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000598512723 468896008 /nfs/dbraw/zinc/89/60/08/468896008.db2.gz UPPQCWDCVDIEKM-CQSZACIVSA-N 1 2 341.367 2.305 10 5 EEBELO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000598512723 468896013 /nfs/dbraw/zinc/89/60/13/468896013.db2.gz UPPQCWDCVDIEKM-CQSZACIVSA-N 1 2 341.367 2.305 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000595625113 468928478 /nfs/dbraw/zinc/92/84/78/468928478.db2.gz LFYAQKVYXLQUAA-KRWDZBQOSA-N 1 2 334.372 2.382 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000595625113 468928482 /nfs/dbraw/zinc/92/84/82/468928482.db2.gz LFYAQKVYXLQUAA-KRWDZBQOSA-N 1 2 334.372 2.382 10 5 EEBELO Cn1cc[nH+]c1[C@H](Cc1ccccc1)Nc1c([N+](=O)[O-])ncn1C ZINC000593502337 469007327 /nfs/dbraw/zinc/00/73/27/469007327.db2.gz OMBXRPSNXSURAY-ZDUSSCGKSA-N 1 2 326.360 2.458 10 5 EEBELO Cc1cc(N2C[C@@H]3C[C@H]2C[S@]3=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593510341 469010865 /nfs/dbraw/zinc/01/08/65/469010865.db2.gz URFIVVLAWKAQLA-POUGUFFASA-N 1 2 344.396 2.070 10 5 EEBELO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598949014 469062019 /nfs/dbraw/zinc/06/20/19/469062019.db2.gz RYNSNQCMFPRJCO-JTQLQIEISA-N 1 2 325.328 2.017 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599110298 469123412 /nfs/dbraw/zinc/12/34/12/469123412.db2.gz PMFKVVWRHFLTNK-CYBMUJFWSA-N 1 2 343.387 2.335 10 5 EEBELO COc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000596426875 469262418 /nfs/dbraw/zinc/26/24/18/469262418.db2.gz CMEBKCDNYOVGIH-QWRGUYRKSA-N 1 2 327.356 2.264 10 5 EEBELO COc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000596426875 469262424 /nfs/dbraw/zinc/26/24/24/469262424.db2.gz CMEBKCDNYOVGIH-QWRGUYRKSA-N 1 2 327.356 2.264 10 5 EEBELO COc1ccc(OCC[N@@H+]2CCO[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000599640537 469319688 /nfs/dbraw/zinc/31/96/88/469319688.db2.gz DZDGUEICHZFWJV-CYBMUJFWSA-N 1 2 328.340 2.043 10 5 EEBELO COc1ccc(OCC[N@H+]2CCO[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000599640537 469319692 /nfs/dbraw/zinc/31/96/92/469319692.db2.gz DZDGUEICHZFWJV-CYBMUJFWSA-N 1 2 328.340 2.043 10 5 EEBELO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOCC4(CC4)C3)n2)cc1 ZINC000611813275 469327940 /nfs/dbraw/zinc/32/79/40/469327940.db2.gz SWBUTHYRKGXYJN-UHFFFAOYSA-N 1 2 330.344 2.257 10 5 EEBELO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOCC4(CC4)C3)n2)cc1 ZINC000611813275 469327945 /nfs/dbraw/zinc/32/79/45/469327945.db2.gz 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O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH+]ccn2c1 ZINC000610026625 469975372 /nfs/dbraw/zinc/97/53/72/469975372.db2.gz QBCGGZGAMIQMFF-UHFFFAOYSA-N 1 2 340.343 2.476 10 5 EEBELO CC1(C)SC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451525047 535011484 /nfs/dbraw/zinc/01/14/84/535011484.db2.gz AAHLPMFQGVQRCJ-ZDUSSCGKSA-N 1 2 332.385 2.404 10 5 EEBELO CCC1(CC)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000769228614 577572906 /nfs/dbraw/zinc/57/29/06/577572906.db2.gz CWZCAMPKBFFSLE-WNSKOXEYSA-N 1 2 340.445 2.251 10 5 EEBELO CCC1(CC)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000769228614 577572907 /nfs/dbraw/zinc/57/29/07/577572907.db2.gz CWZCAMPKBFFSLE-WNSKOXEYSA-N 1 2 340.445 2.251 10 5 EEBELO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000866169531 1201454166 /nfs/dbraw/zinc/45/41/66/1201454166.db2.gz KSTPLLUEBQMKOH-UHFFFAOYSA-N 1 2 336.392 2.208 10 5 EEBELO C/C(=C\C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000900267406 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349.265 2.106 10 5 EEBELO C[C@@](CO)([NH2+]Cc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001659773943 1354386139 /nfs/dbraw/zinc/38/61/39/1354386139.db2.gz SKUWXYRVSOTFJZ-KRWDZBQOSA-N 1 2 326.356 2.468 10 5 EEBELO Cn1cc([C@@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)nn1 ZINC001660592491 1354495831 /nfs/dbraw/zinc/49/58/31/1354495831.db2.gz XAMFOLHGGBVXED-SNVBAGLBSA-N 1 2 337.330 2.381 10 5 EEBELO Cn1cc([C@@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)nn1 ZINC001660592491 1354495833 /nfs/dbraw/zinc/49/58/33/1354495833.db2.gz XAMFOLHGGBVXED-SNVBAGLBSA-N 1 2 337.330 2.381 10 5 EEBELO Cc1cc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)ncn1 ZINC001519593551 1119091613 /nfs/dbraw/zinc/09/16/13/1119091613.db2.gz KVNBNXJHKKDBOZ-UHFFFAOYSA-N 1 2 339.311 2.236 10 5 EEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1csc([N+](=O)[O-])c1 ZINC000052408537 214127573 /nfs/dbraw/zinc/12/75/73/214127573.db2.gz PPMYQWIVNZATAC-UHFFFAOYSA-N 1 2 329.341 2.167 10 5 EEBELO CCOC(=O)C1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000267405978 256056740 /nfs/dbraw/zinc/05/67/40/256056740.db2.gz JSIROKSEGBIYOO-UHFFFAOYSA-N 1 2 342.779 2.138 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245460847 160237219 /nfs/dbraw/zinc/23/72/19/160237219.db2.gz WBGWPFFLGWNORX-WBMJQRKESA-N 1 2 343.387 2.492 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245460847 160237221 /nfs/dbraw/zinc/23/72/21/160237221.db2.gz WBGWPFFLGWNORX-WBMJQRKESA-N 1 2 343.387 2.492 10 5 EEBELO COc1cc(CN2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000351978335 162012308 /nfs/dbraw/zinc/01/23/08/162012308.db2.gz RBJBGKZUNWTCST-UHFFFAOYSA-N 1 2 342.399 2.316 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H]1CCO ZINC000355076581 163073888 /nfs/dbraw/zinc/07/38/88/163073888.db2.gz CXBLIJZLVYMCFZ-CQSZACIVSA-N 1 2 326.418 2.293 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H]1CCO ZINC000355076581 163073890 /nfs/dbraw/zinc/07/38/90/163073890.db2.gz 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1237156565 /nfs/dbraw/zinc/15/65/65/1237156565.db2.gz PBOPHFRYWYSYDD-LBPRGKRZSA-N 1 2 326.324 2.194 10 5 EEBELO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000852778053 1292195450 /nfs/dbraw/zinc/19/54/50/1292195450.db2.gz DPFPHYJSKKMCJK-YVLXSGLVSA-N 1 2 330.331 2.373 10 5 EEBELO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000852778053 1292195456 /nfs/dbraw/zinc/19/54/56/1292195456.db2.gz DPFPHYJSKKMCJK-YVLXSGLVSA-N 1 2 330.331 2.373 10 5 EEBELO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2ccnn2C)CC1 ZINC001620675147 1352361875 /nfs/dbraw/zinc/36/18/75/1352361875.db2.gz OAEPQFUAMALQMG-CQSZACIVSA-N 1 2 329.404 2.207 10 5 EEBELO CCc1[nH]c(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001635610355 1352648815 /nfs/dbraw/zinc/64/88/15/1352648815.db2.gz HWPLLVFGMNCVCX-UHFFFAOYSA-N 1 2 330.344 2.160 10 5 EEBELO CCc1[nH]cc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001635610355 1352648818 /nfs/dbraw/zinc/64/88/18/1352648818.db2.gz HWPLLVFGMNCVCX-UHFFFAOYSA-N 1 2 330.344 2.160 10 5 EEBELO CCC[C@@H](O)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001639765310 1352701576 /nfs/dbraw/zinc/70/15/76/1352701576.db2.gz MESHGFKXFMKYMQ-CYBMUJFWSA-N 1 2 332.360 2.061 10 5 EEBELO Nc1[nH+]ccc2c1CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001642212837 1352728678 /nfs/dbraw/zinc/72/86/78/1352728678.db2.gz RSEOMAZNGYKMAB-UHFFFAOYSA-N 1 2 332.747 2.424 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC001648387854 1353427895 /nfs/dbraw/zinc/42/78/95/1353427895.db2.gz PWMMDIUXKOGAIT-MRXNPFEDSA-N 1 2 341.371 2.373 10 5 EEBELO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001655655193 1354180896 /nfs/dbraw/zinc/18/08/96/1354180896.db2.gz KOGNGSLLVFLCGV-XHDPSFHLSA-N 1 2 341.371 2.453 10 5 EEBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC(n2cc[nH+]c2)C1 ZINC000906695952 784106217 /nfs/dbraw/zinc/10/62/17/784106217.db2.gz AISCKGJDXHGPHV-UHFFFAOYSA-N 1 2 334.763 2.461 10 5 EEBELO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908134731 785114876 /nfs/dbraw/zinc/11/48/76/785114876.db2.gz DWRAJPHFXZNMRK-VIFPVBQESA-N 1 2 338.726 2.329 10 5 EEBELO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001136811265 788019357 /nfs/dbraw/zinc/01/93/57/788019357.db2.gz BKBMDKXJPFNPAO-HOTGVXAUSA-N 1 2 335.404 2.100 10 5 EEBELO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CC)C1 ZINC001136811265 788019363 /nfs/dbraw/zinc/01/93/63/788019363.db2.gz BKBMDKXJPFNPAO-HOTGVXAUSA-N 1 2 335.404 2.100 10 5 EEBELO C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc([N+](=O)[O-])cc1 ZINC001473785130 1110580520 /nfs/dbraw/zinc/58/05/20/1110580520.db2.gz LHKBFTKDQULOLF-JTQLQIEISA-N 1 2 330.344 2.014 10 5 EEBELO COc1ccc(CC(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC001524619254 1120204401 /nfs/dbraw/zinc/20/44/01/1120204401.db2.gz LFUDFJWYIFYPJM-UHFFFAOYSA-N 1 2 326.312 2.432 10 5 EEBELO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001568439990 1124510058 /nfs/dbraw/zinc/51/00/58/1124510058.db2.gz JTKDFCNRMIWALZ-INIZCTEOSA-N 1 2 343.387 2.057 10 5 EEBELO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001568439990 1124510062 /nfs/dbraw/zinc/51/00/62/1124510062.db2.gz JTKDFCNRMIWALZ-INIZCTEOSA-N 1 2 343.387 2.057 10 5 EEBELO COC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000066832912 215083676 /nfs/dbraw/zinc/08/36/76/215083676.db2.gz SYNVHSPZQUOWBY-GFCCVEGCSA-N 1 2 346.343 2.030 10 5 EEBELO COC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000066832912 215083679 /nfs/dbraw/zinc/08/36/79/215083679.db2.gz SYNVHSPZQUOWBY-GFCCVEGCSA-N 1 2 346.343 2.030 10 5 EEBELO CC(=O)Nc1ccc(Nc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])cc1 ZINC000040660517 213365716 /nfs/dbraw/zinc/36/57/16/213365716.db2.gz IDCXXRTTWSKMPN-UHFFFAOYSA-N 1 2 339.315 2.273 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000426868507 241350099 /nfs/dbraw/zinc/35/00/99/241350099.db2.gz HNIGNTQSSBVGJR-UHFFFAOYSA-N 1 2 332.360 2.386 10 5 EEBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000184681158 160013501 /nfs/dbraw/zinc/01/35/01/160013501.db2.gz UUQLSNKTMOPSAT-HOCLYGCPSA-N 1 2 349.431 2.000 10 5 EEBELO C[NH+](C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000348629602 276863421 /nfs/dbraw/zinc/86/34/21/276863421.db2.gz FXFGOZSEZXXAKV-AWEZNQCLSA-N 1 2 343.383 2.203 10 5 EEBELO CN(C[C@H]1CCS(=O)(=O)C1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413149690 312803133 /nfs/dbraw/zinc/80/31/33/312803133.db2.gz BXOYFUQWXSOMPF-LLVKDONJSA-N 1 2 335.385 2.014 10 5 EEBELO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000337286600 465286975 /nfs/dbraw/zinc/28/69/75/465286975.db2.gz MIONXERXVZZEED-UHFFFAOYSA-N 1 2 344.346 2.400 10 5 EEBELO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1)N1CCCC1 ZINC000076047759 462794057 /nfs/dbraw/zinc/79/40/57/462794057.db2.gz YSZBYJQEHVTBOT-KRWDZBQOSA-N 1 2 347.415 2.198 10 5 EEBELO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1)N1CCCC1 ZINC000076047759 462794064 /nfs/dbraw/zinc/79/40/64/462794064.db2.gz YSZBYJQEHVTBOT-KRWDZBQOSA-N 1 2 347.415 2.198 10 5 EEBELO CCOC(=O)C(C)(C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000112655249 463705399 /nfs/dbraw/zinc/70/53/99/463705399.db2.gz ZUMTZUJRVBWXML-UHFFFAOYSA-N 1 2 337.376 2.163 10 5 EEBELO CCn1cc([C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000190813020 464726028 /nfs/dbraw/zinc/72/60/28/464726028.db2.gz IMPSORIKMNCGBY-KRWDZBQOSA-N 1 2 346.387 2.264 10 5 EEBELO CCn1cc([C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000190813020 464726034 /nfs/dbraw/zinc/72/60/34/464726034.db2.gz IMPSORIKMNCGBY-KRWDZBQOSA-N 1 2 346.387 2.264 10 5 EEBELO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248851455 464810772 /nfs/dbraw/zinc/81/07/72/464810772.db2.gz UGWWWKSTEDENPT-PEGIJTEDSA-N 1 2 341.795 2.420 10 5 EEBELO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000248851455 464810774 /nfs/dbraw/zinc/81/07/74/464810774.db2.gz UGWWWKSTEDENPT-PEGIJTEDSA-N 1 2 341.795 2.420 10 5 EEBELO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000366195230 465587516 /nfs/dbraw/zinc/58/75/16/465587516.db2.gz LMGUBIAXYUHVQX-MRXNPFEDSA-N 1 2 326.356 2.119 10 5 EEBELO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000366195230 465587519 /nfs/dbraw/zinc/58/75/19/465587519.db2.gz LMGUBIAXYUHVQX-MRXNPFEDSA-N 1 2 326.356 2.119 10 5 EEBELO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361191343 465824711 /nfs/dbraw/zinc/82/47/11/465824711.db2.gz RNGFAQBHCWGUOO-CYBMUJFWSA-N 1 2 330.344 2.032 10 5 EEBELO COc1cc(CNc2[nH]c3cc(F)ccc3[nH+]2)c([N+](=O)[O-])cc1O ZINC000362652112 465912965 /nfs/dbraw/zinc/91/29/65/465912965.db2.gz YBBBVJJNTGAAOT-UHFFFAOYSA-N 1 2 332.291 2.358 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301779577 466030842 /nfs/dbraw/zinc/03/08/42/466030842.db2.gz SFMOHTJHQBXOFV-UHFFFAOYSA-N 1 2 345.359 2.390 10 5 EEBELO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353667644 466051105 /nfs/dbraw/zinc/05/11/05/466051105.db2.gz CUDJZPQMXDJRJJ-PWSUYJOCSA-N 1 2 341.314 2.049 10 5 EEBELO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353667644 466051113 /nfs/dbraw/zinc/05/11/13/466051113.db2.gz CUDJZPQMXDJRJJ-PWSUYJOCSA-N 1 2 341.314 2.049 10 5 EEBELO Nc1c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000362901887 466110683 /nfs/dbraw/zinc/11/06/83/466110683.db2.gz SWWYJPSOLJHIBT-UHFFFAOYSA-N 1 2 345.746 2.408 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000302183857 466113560 /nfs/dbraw/zinc/11/35/60/466113560.db2.gz OSQRNXKMTWTBGO-ZDUSSCGKSA-N 1 2 342.355 2.467 10 5 EEBELO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccn2cc[nH+]c2c1 ZINC000362909828 466117271 /nfs/dbraw/zinc/11/72/71/466117271.db2.gz ZOQPMTKEDXRPGU-UHFFFAOYSA-N 1 2 346.293 2.380 10 5 EEBELO COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000361644274 466174106 /nfs/dbraw/zinc/17/41/06/466174106.db2.gz PKZITCMSUUPTNF-SUMWQHHRSA-N 1 2 336.388 2.373 10 5 EEBELO COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000361644274 466174111 /nfs/dbraw/zinc/17/41/11/466174111.db2.gz PKZITCMSUUPTNF-SUMWQHHRSA-N 1 2 336.388 2.373 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000373978132 466989440 /nfs/dbraw/zinc/98/94/40/466989440.db2.gz QFIHWKABPNAUMT-WPGHFRTFSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000373978132 466989445 /nfs/dbraw/zinc/98/94/45/466989445.db2.gz QFIHWKABPNAUMT-WPGHFRTFSA-N 1 2 334.372 2.377 10 5 EEBELO O=C1[C@@H]([N@@H+]2CC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549082477 468169514 /nfs/dbraw/zinc/16/95/14/468169514.db2.gz SBXJQVMNUVCVBZ-STQMWFEESA-N 1 2 341.314 2.014 10 5 EEBELO O=C1[C@@H]([N@H+]2CC[C@H](OC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000549082477 468169517 /nfs/dbraw/zinc/16/95/17/468169517.db2.gz SBXJQVMNUVCVBZ-STQMWFEESA-N 1 2 341.314 2.014 10 5 EEBELO CCOC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131374 468633021 /nfs/dbraw/zinc/63/30/21/468633021.db2.gz ZWZVEFTVPWMHRP-SHTZXODSSA-N 1 2 336.388 2.263 10 5 EEBELO CCOC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131374 468633026 /nfs/dbraw/zinc/63/30/26/468633026.db2.gz ZWZVEFTVPWMHRP-SHTZXODSSA-N 1 2 336.388 2.263 10 5 EEBELO C[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601223666 468787053 /nfs/dbraw/zinc/78/70/53/468787053.db2.gz KHNWRGBPGDGOKB-UMVBOHGHSA-N 1 2 335.404 2.405 10 5 EEBELO Cc1noc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c1[N+](=O)[O-] ZINC000595410287 468842187 /nfs/dbraw/zinc/84/21/87/468842187.db2.gz SDBSYUGZCXPTKR-JTQLQIEISA-N 1 2 328.332 2.323 10 5 EEBELO C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595679389 468951304 /nfs/dbraw/zinc/95/13/04/468951304.db2.gz DWBFOQVIYRTFID-ZDUSSCGKSA-N 1 2 345.399 2.127 10 5 EEBELO C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595679389 468951307 /nfs/dbraw/zinc/95/13/07/468951307.db2.gz DWBFOQVIYRTFID-ZDUSSCGKSA-N 1 2 345.399 2.127 10 5 EEBELO CS(=O)(=O)C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599081528 469110245 /nfs/dbraw/zinc/11/02/45/469110245.db2.gz OHRQGHNUWQKPNC-LLVKDONJSA-N 1 2 335.385 2.014 10 5 EEBELO COc1cc(N[C@@H](C)C[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596076827 469143104 /nfs/dbraw/zinc/14/31/04/469143104.db2.gz QFAVSSHKKZUNQU-JTQLQIEISA-N 1 2 329.784 2.389 10 5 EEBELO CN(C)c1c[nH+]ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000614050564 469838596 /nfs/dbraw/zinc/83/85/96/469838596.db2.gz LFBBUUUAPBKHQF-UHFFFAOYSA-N 1 2 326.312 2.476 10 5 EEBELO Cc1cc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC000610032628 469976526 /nfs/dbraw/zinc/97/65/26/469976526.db2.gz PHLNTPCMIQGPRJ-UHFFFAOYSA-N 1 2 332.341 2.352 10 5 EEBELO C[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)Cn1cc[nH+]c1 ZINC000153752171 534029959 /nfs/dbraw/zinc/02/99/59/534029959.db2.gz ZNZJHWZIQQEEHF-NSHDSACASA-N 1 2 327.344 2.339 10 5 EEBELO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000899558309 693791177 /nfs/dbraw/zinc/79/11/77/693791177.db2.gz BEFHAKNZHNVVTF-UHFFFAOYSA-N 1 2 333.388 2.391 10 5 EEBELO C[C@@H](O)C[NH+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865506803 1198251178 /nfs/dbraw/zinc/25/11/78/1198251178.db2.gz XTRUUSZXFGUCLV-SECBINFHSA-N 1 2 334.203 2.404 10 5 EEBELO COc1cc(N[C@H]2CCC[N@H+](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000865927920 1198426757 /nfs/dbraw/zinc/42/67/57/1198426757.db2.gz KXOGODMLKDGAQX-NSHDSACASA-N 1 2 327.356 2.458 10 5 EEBELO COc1cc(N[C@H]2CCC[N@@H+](CCF)C2)c([N+](=O)[O-])cc1OC ZINC000865927920 1198426763 /nfs/dbraw/zinc/42/67/63/1198426763.db2.gz KXOGODMLKDGAQX-NSHDSACASA-N 1 2 327.356 2.458 10 5 EEBELO C/C(=C/C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000900267405 1234135529 /nfs/dbraw/zinc/13/55/29/1234135529.db2.gz FNTRSMDWVNBJOD-QLKUMGTLSA-N 1 2 333.388 2.051 10 5 EEBELO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2c[nH+]cc21 ZINC000857990427 1293981807 /nfs/dbraw/zinc/98/18/07/1293981807.db2.gz UHNJGYVOPSBFJC-CQSZACIVSA-N 1 2 329.360 2.245 10 5 EEBELO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001142905616 1315793729 /nfs/dbraw/zinc/79/37/29/1315793729.db2.gz KCLDBXPGZJUBBN-NSHDSACASA-N 1 2 337.339 2.084 10 5 EEBELO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC001354636236 1338568558 /nfs/dbraw/zinc/56/85/58/1338568558.db2.gz CPJZAQGMNJAVAN-GFCCVEGCSA-N 1 2 327.178 2.314 10 5 EEBELO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC001354636236 1338568565 /nfs/dbraw/zinc/56/85/65/1338568565.db2.gz CPJZAQGMNJAVAN-GFCCVEGCSA-N 1 2 327.178 2.314 10 5 EEBELO O=C(Nc1ccccc1-n1cc[nH+]c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001441150109 1342078350 /nfs/dbraw/zinc/07/83/50/1342078350.db2.gz STWMYIGJNKHHHT-UHFFFAOYSA-N 1 2 325.284 2.133 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001560143964 1342508188 /nfs/dbraw/zinc/50/81/88/1342508188.db2.gz OJMUUERNDOZMNK-LLVKDONJSA-N 1 2 343.387 2.259 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001560143964 1342508190 /nfs/dbraw/zinc/50/81/90/1342508190.db2.gz OJMUUERNDOZMNK-LLVKDONJSA-N 1 2 343.387 2.259 10 5 EEBELO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001644647391 1352765278 /nfs/dbraw/zinc/76/52/78/1352765278.db2.gz OBPRUUTXTQYFMI-AWEZNQCLSA-N 1 2 332.360 2.130 10 5 EEBELO CN(OCC(F)(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001648024520 1353413558 /nfs/dbraw/zinc/41/35/58/1353413558.db2.gz MHXKLDAGFVZCCD-UHFFFAOYSA-N 1 2 344.249 2.346 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC001655689625 1354181776 /nfs/dbraw/zinc/18/17/76/1354181776.db2.gz UYUKFNDQCVRDGY-LLVKDONJSA-N 1 2 330.344 2.154 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC001655689625 1354181778 /nfs/dbraw/zinc/18/17/78/1354181778.db2.gz UYUKFNDQCVRDGY-LLVKDONJSA-N 1 2 330.344 2.154 10 5 EEBELO C[C@@H](CO)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896417 810056836 /nfs/dbraw/zinc/05/68/36/810056836.db2.gz HFLCQZWMOCQLQL-SECBINFHSA-N 1 2 329.194 2.344 10 5 EEBELO C[C@@H](CO)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896417 810056840 /nfs/dbraw/zinc/05/68/40/810056840.db2.gz HFLCQZWMOCQLQL-SECBINFHSA-N 1 2 329.194 2.344 10 5 EEBELO O=C(Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001468456598 1110475008 /nfs/dbraw/zinc/47/50/08/1110475008.db2.gz ZLFAHXMYSOCKPN-DGCLKSJQSA-N 1 2 330.344 2.027 10 5 EEBELO O=C(Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC001468456598 1110475010 /nfs/dbraw/zinc/47/50/10/1110475010.db2.gz ZLFAHXMYSOCKPN-DGCLKSJQSA-N 1 2 330.344 2.027 10 5 EEBELO Cc1nccnc1N1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000374130882 282219435 /nfs/dbraw/zinc/21/94/35/282219435.db2.gz SBRQYIXBPCKVJQ-UHFFFAOYSA-N 1 2 331.351 2.155 10 5 EEBELO C[C@@H]1CCCC[N@@H+]1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271218466 256221645 /nfs/dbraw/zinc/22/16/45/256221645.db2.gz CEHPOEIPHHFLCA-SNVBAGLBSA-N 1 2 347.462 2.346 10 5 EEBELO C[C@@H]1CCCC[N@H+]1CCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271218466 256221647 /nfs/dbraw/zinc/22/16/47/256221647.db2.gz CEHPOEIPHHFLCA-SNVBAGLBSA-N 1 2 347.462 2.346 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000247195132 160314395 /nfs/dbraw/zinc/31/43/95/160314395.db2.gz YLCXGPNBFASMLY-YQQAZPJKSA-N 1 2 336.388 2.372 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000247195132 160314396 /nfs/dbraw/zinc/31/43/96/160314396.db2.gz YLCXGPNBFASMLY-YQQAZPJKSA-N 1 2 336.388 2.372 10 5 EEBELO Cn1ncc(Br)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000278385351 269228333 /nfs/dbraw/zinc/22/83/33/269228333.db2.gz LWXXGBXWCUVTDF-UHFFFAOYSA-N 1 2 325.166 2.381 10 5 EEBELO CN(C)c1[nH+]cccc1O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000281849212 269448056 /nfs/dbraw/zinc/44/80/56/269448056.db2.gz MCJFUIWOKNJEQT-ZDUSSCGKSA-N 1 2 329.360 2.109 10 5 EEBELO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000288448167 275059406 /nfs/dbraw/zinc/05/94/06/275059406.db2.gz PHQOMPFBLLEFKP-UHFFFAOYSA-N 1 2 341.367 2.257 10 5 EEBELO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000288448167 275059407 /nfs/dbraw/zinc/05/94/07/275059407.db2.gz PHQOMPFBLLEFKP-UHFFFAOYSA-N 1 2 341.367 2.257 10 5 EEBELO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000590570382 468275140 /nfs/dbraw/zinc/27/51/40/468275140.db2.gz YCHGUHRWNGYTBX-UHFFFAOYSA-N 1 2 327.768 2.177 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046617624 462692398 /nfs/dbraw/zinc/69/23/98/462692398.db2.gz MGPOPAAZWWNGNZ-UHFFFAOYSA-N 1 2 341.371 2.092 10 5 EEBELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000069780304 463325860 /nfs/dbraw/zinc/32/58/60/463325860.db2.gz SLEFSLLSKMVWBN-OAHLLOKOSA-N 1 2 335.404 2.483 10 5 EEBELO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000069780304 463325863 /nfs/dbraw/zinc/32/58/63/463325863.db2.gz SLEFSLLSKMVWBN-OAHLLOKOSA-N 1 2 335.404 2.483 10 5 EEBELO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000170688447 463695685 /nfs/dbraw/zinc/69/56/85/463695685.db2.gz YZJCEJICRUGEBA-NSHDSACASA-N 1 2 327.768 2.298 10 5 EEBELO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCO1 ZINC000170688447 463695687 /nfs/dbraw/zinc/69/56/87/463695687.db2.gz YZJCEJICRUGEBA-NSHDSACASA-N 1 2 327.768 2.298 10 5 EEBELO O=[N+]([O-])c1cc(CN2CC[C@H]([NH+]3CCOCC3)C2)ccc1Cl ZINC000170812114 463710707 /nfs/dbraw/zinc/71/07/07/463710707.db2.gz OJQXQSCMNSZUST-ZDUSSCGKSA-N 1 2 325.796 2.155 10 5 EEBELO CCOc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000276923487 463807611 /nfs/dbraw/zinc/80/76/11/463807611.db2.gz PLUMVEULNIHWOE-ZDUSSCGKSA-N 1 2 334.294 2.493 10 5 EEBELO CCOc1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000276923487 463807616 /nfs/dbraw/zinc/80/76/16/463807616.db2.gz PLUMVEULNIHWOE-ZDUSSCGKSA-N 1 2 334.294 2.493 10 5 EEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000371280615 465686324 /nfs/dbraw/zinc/68/63/24/465686324.db2.gz QZIDDVZUTKKGLV-VIFPVBQESA-N 1 2 332.385 2.327 10 5 EEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000371280615 465686331 /nfs/dbraw/zinc/68/63/31/465686331.db2.gz QZIDDVZUTKKGLV-VIFPVBQESA-N 1 2 332.385 2.327 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000366645566 465851282 /nfs/dbraw/zinc/85/12/82/465851282.db2.gz XCGCMTJTZJBQBZ-ARFHVFGLSA-N 1 2 336.388 2.372 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000366645566 465851289 /nfs/dbraw/zinc/85/12/89/465851289.db2.gz XCGCMTJTZJBQBZ-ARFHVFGLSA-N 1 2 336.388 2.372 10 5 EEBELO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378088551 467195365 /nfs/dbraw/zinc/19/53/65/467195365.db2.gz RJVRSBJCIDFAPP-UHFFFAOYSA-N 1 2 330.344 2.103 10 5 EEBELO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378088551 467195368 /nfs/dbraw/zinc/19/53/68/467195368.db2.gz RJVRSBJCIDFAPP-UHFFFAOYSA-N 1 2 330.344 2.103 10 5 EEBELO COc1cc(CCNc2nc(C)[nH+]cc2C)c([N+](=O)[O-])cc1OC ZINC000566478585 468153508 /nfs/dbraw/zinc/15/35/08/468153508.db2.gz MADUBQYWUFFACM-UHFFFAOYSA-N 1 2 332.360 2.673 10 5 EEBELO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000601114268 468746751 /nfs/dbraw/zinc/74/67/51/468746751.db2.gz OPNFIMGFAUBXPE-VIFPVBQESA-N 1 2 344.297 2.385 10 5 EEBELO Cc1noc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000595409706 468842428 /nfs/dbraw/zinc/84/24/28/468842428.db2.gz FZXNIRKOIHREDV-VIFPVBQESA-N 1 2 339.373 2.146 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759571 468994345 /nfs/dbraw/zinc/99/43/45/468994345.db2.gz WXSLJIAHKOSNOB-AMJWSMQMSA-N 1 2 339.779 2.032 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759571 468994353 /nfs/dbraw/zinc/99/43/53/468994353.db2.gz WXSLJIAHKOSNOB-AMJWSMQMSA-N 1 2 339.779 2.032 10 5 EEBELO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000599078711 469109571 /nfs/dbraw/zinc/10/95/71/469109571.db2.gz ABQLDCDGGDZZBX-QWRGUYRKSA-N 1 2 335.385 2.155 10 5 EEBELO COC(=O)[C@@H]1CSCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599090512 469115052 /nfs/dbraw/zinc/11/50/52/469115052.db2.gz LVTOSJCGNDGMDO-LBPRGKRZSA-N 1 2 347.396 2.485 10 5 EEBELO O=C1CC[C@H]2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC[C@H]2N1 ZINC000599107259 469121680 /nfs/dbraw/zinc/12/16/80/469121680.db2.gz MJYOTYQPMVVRKE-GXTWGEPZSA-N 1 2 326.356 2.248 10 5 EEBELO NC(=O)c1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000596079065 469145049 /nfs/dbraw/zinc/14/50/49/469145049.db2.gz XVGYUVNUYSIHPJ-UHFFFAOYSA-N 1 2 341.371 2.170 10 5 EEBELO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000599183728 469152783 /nfs/dbraw/zinc/15/27/83/469152783.db2.gz SDGOPICSLJSVOO-KRWDZBQOSA-N 1 2 328.372 2.303 10 5 EEBELO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000599183728 469152791 /nfs/dbraw/zinc/15/27/91/469152791.db2.gz SDGOPICSLJSVOO-KRWDZBQOSA-N 1 2 328.372 2.303 10 5 EEBELO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1[N+](=O)[O-] ZINC000599642818 469321149 /nfs/dbraw/zinc/32/11/49/469321149.db2.gz WLFDJLSKTDIERN-ZDUSSCGKSA-N 1 2 330.344 2.436 10 5 EEBELO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)cc1[N+](=O)[O-] ZINC000599642818 469321152 /nfs/dbraw/zinc/32/11/52/469321152.db2.gz WLFDJLSKTDIERN-ZDUSSCGKSA-N 1 2 330.344 2.436 10 5 EEBELO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619707085 469667199 /nfs/dbraw/zinc/66/71/99/469667199.db2.gz IRGLSVGTILSVQR-LBPRGKRZSA-N 1 2 343.387 2.476 10 5 EEBELO O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH+]ccn2c1 ZINC000610026360 469975686 /nfs/dbraw/zinc/97/56/86/469975686.db2.gz LQFLIUKPMXODNS-UHFFFAOYSA-N 1 2 341.327 2.443 10 5 EEBELO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000131667111 534321843 /nfs/dbraw/zinc/32/18/43/534321843.db2.gz ZBQQWWCMXPLIIT-ZDUSSCGKSA-N 1 2 334.401 2.440 10 5 EEBELO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000131667111 534321856 /nfs/dbraw/zinc/32/18/56/534321856.db2.gz ZBQQWWCMXPLIIT-ZDUSSCGKSA-N 1 2 334.401 2.440 10 5 EEBELO O=C(N[C@]12CCC[C@H]1OCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000872270419 1198121747 /nfs/dbraw/zinc/12/17/47/1198121747.db2.gz MDYGMLWEMSSFOJ-WBVHZDCISA-N 1 2 342.355 2.222 10 5 EEBELO CC1(C)Oc2ccsc2[C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])[C@H]1O ZINC000930547764 1206566443 /nfs/dbraw/zinc/56/64/43/1206566443.db2.gz WKSNQXXIPNBWMQ-WCQYABFASA-N 1 2 335.385 2.414 10 5 EEBELO O=[N+]([O-])c1ccnn1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863324927 1296221650 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Cn1c[nH+]cc1CCOC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000793251707 810215416 /nfs/dbraw/zinc/21/54/16/810215416.db2.gz USOMCDJUKCSRPS-UHFFFAOYSA-N 1 2 341.270 2.329 10 5 EEBELO O=C(c1cc2c[nH+]ccc2[nH]1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001447750935 1103232083 /nfs/dbraw/zinc/23/20/83/1103232083.db2.gz SXUCMTNZHDQZEU-UHFFFAOYSA-N 1 2 338.323 2.375 10 5 EEBELO CCc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)on1 ZINC001456768042 1109295921 /nfs/dbraw/zinc/29/59/21/1109295921.db2.gz PMOZWWFPDYUASO-UHFFFAOYSA-N 1 2 341.327 2.261 10 5 EEBELO COC(=O)C1CC[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001473224126 1110573111 /nfs/dbraw/zinc/57/31/11/1110573111.db2.gz TUUXYXXOWLDOPU-UHFFFAOYSA-N 1 2 346.343 2.030 10 5 EEBELO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000054992023 214263098 /nfs/dbraw/zinc/26/30/98/214263098.db2.gz IQISRMBLLQNYHH-CYBMUJFWSA-N 1 2 345.321 2.280 10 5 EEBELO O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000054992023 214263099 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EEBELO COc1cc(F)c([N+](=O)[O-])c(NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000301351308 294848544 /nfs/dbraw/zinc/84/85/44/294848544.db2.gz MTONLQUGTMTVRC-UHFFFAOYSA-N 1 2 327.356 2.265 10 5 EEBELO Cn1c[nH+]c(CCNc2ncc([N+](=O)[O-])cc2Br)c1 ZINC000313469882 311587738 /nfs/dbraw/zinc/58/77/38/311587738.db2.gz MERHYWVAHOAVLQ-UHFFFAOYSA-N 1 2 326.154 2.140 10 5 EEBELO CC[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000421660593 314137931 /nfs/dbraw/zinc/13/79/31/314137931.db2.gz CQYLFIFHGPUKJM-KBPBESRZSA-N 1 2 344.371 2.468 10 5 EEBELO CN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448872565 315395261 /nfs/dbraw/zinc/39/52/61/315395261.db2.gz IOPFJDCWKVARSR-CYBMUJFWSA-N 1 2 330.344 2.032 10 5 EEBELO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347809294 465240241 /nfs/dbraw/zinc/24/02/41/465240241.db2.gz SXZDUNZRMCPYKJ-INIZCTEOSA-N 1 2 343.383 2.096 10 5 EEBELO Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347809294 465240246 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O=[N+]([O-])c1cc(C[N@H+](CCO)CCOCC(F)(F)F)cs1 ZINC000264859056 464493129 /nfs/dbraw/zinc/49/31/29/464493129.db2.gz NFZVCSLKNGJSCE-UHFFFAOYSA-N 1 2 328.312 2.030 10 5 EEBELO O=[N+]([O-])c1cc(C[N@@H+](CCO)CCOCC(F)(F)F)cs1 ZINC000264859056 464493132 /nfs/dbraw/zinc/49/31/32/464493132.db2.gz NFZVCSLKNGJSCE-UHFFFAOYSA-N 1 2 328.312 2.030 10 5 EEBELO COc1cc[nH+]cc1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000348318527 465547962 /nfs/dbraw/zinc/54/79/62/465547962.db2.gz YMBZAQHFVGQSKK-UHFFFAOYSA-N 1 2 337.282 2.136 10 5 EEBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCCF)CC1 ZINC000600076527 468450704 /nfs/dbraw/zinc/45/07/04/468450704.db2.gz NWYDZNDRLLHQAW-UHFFFAOYSA-N 1 2 339.367 2.111 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000366655009 465856877 /nfs/dbraw/zinc/85/68/77/465856877.db2.gz XPSDVZFMDYPDDF-KRWDZBQOSA-N 1 2 349.431 2.290 10 5 EEBELO O=[N+]([O-])c1ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1 ZINC000301650918 466003163 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345.399 2.201 10 5 EEBELO O=C1[C@@H]([N@H+]2CCO[C@@H](C3CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411848881 466916600 /nfs/dbraw/zinc/91/66/00/466916600.db2.gz NRBRLJWNDVKLIU-DLBZAZTESA-N 1 2 345.399 2.201 10 5 EEBELO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000450897054 467199765 /nfs/dbraw/zinc/19/97/65/467199765.db2.gz PVOZZLOTVGESMF-LLVKDONJSA-N 1 2 334.332 2.072 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000450897054 467199771 /nfs/dbraw/zinc/19/97/71/467199771.db2.gz PVOZZLOTVGESMF-LLVKDONJSA-N 1 2 334.332 2.072 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)ccc1[N+](=O)[O-] ZINC000450897054 467199778 /nfs/dbraw/zinc/19/97/78/467199778.db2.gz PVOZZLOTVGESMF-LLVKDONJSA-N 1 2 334.332 2.072 10 5 EEBELO CC[C@H]1[C@@H](CO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452941532 467443747 /nfs/dbraw/zinc/44/37/47/467443747.db2.gz TUAVVMFBSGPSKD-KGLIPLIRSA-N 1 2 344.371 2.014 10 5 EEBELO CC(C)(O)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450568146 467871549 /nfs/dbraw/zinc/87/15/49/467871549.db2.gz UXUIMJPKXCQUDB-UHFFFAOYSA-N 1 2 332.360 2.060 10 5 EEBELO C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595683167 468954180 /nfs/dbraw/zinc/95/41/80/468954180.db2.gz UTGZEPMMEDJJQH-CYBMUJFWSA-N 1 2 333.388 2.201 10 5 EEBELO C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595683167 468954183 /nfs/dbraw/zinc/95/41/83/468954183.db2.gz UTGZEPMMEDJJQH-CYBMUJFWSA-N 1 2 333.388 2.201 10 5 EEBELO C[C@@H]1C[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H](C)C1=O ZINC000595712436 468965039 /nfs/dbraw/zinc/96/50/39/468965039.db2.gz HOXIGOVAGANLFA-VXGBXAGGSA-N 1 2 347.371 2.050 10 5 EEBELO CCC(=O)c1ccc(NC2CC([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000599094485 469117468 /nfs/dbraw/zinc/11/74/68/469117468.db2.gz JZJAWBBVDFYDDQ-UHFFFAOYSA-N 1 2 333.388 2.463 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975225 469121568 /nfs/dbraw/zinc/12/15/68/469121568.db2.gz MLEXCLVGVCYGOS-ZWNOBZJWSA-N 1 2 343.330 2.278 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975225 469121572 /nfs/dbraw/zinc/12/15/72/469121572.db2.gz MLEXCLVGVCYGOS-ZWNOBZJWSA-N 1 2 343.330 2.278 10 5 EEBELO O=[N+]([O-])c1sccc1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183380 469153070 /nfs/dbraw/zinc/15/30/70/469153070.db2.gz LKRKMZNDZHGWOL-ZDUSSCGKSA-N 1 2 334.401 2.364 10 5 EEBELO O=[N+]([O-])c1sccc1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183380 469153076 /nfs/dbraw/zinc/15/30/76/469153076.db2.gz LKRKMZNDZHGWOL-ZDUSSCGKSA-N 1 2 334.401 2.364 10 5 EEBELO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000770391640 577595307 /nfs/dbraw/zinc/59/53/07/577595307.db2.gz OGVOBNHDKHLCLG-YOEHRIQHSA-N 1 2 346.387 2.122 10 5 EEBELO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000770391640 577595308 /nfs/dbraw/zinc/59/53/08/577595308.db2.gz OGVOBNHDKHLCLG-YOEHRIQHSA-N 1 2 346.387 2.122 10 5 EEBELO COc1cc([N+](=O)[O-])cnc1N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000892397172 679584023 /nfs/dbraw/zinc/58/40/23/679584023.db2.gz SCECQASGCFYJNS-UHFFFAOYSA-N 1 2 331.376 2.418 10 5 EEBELO C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccnn1C ZINC001271558000 1186308204 /nfs/dbraw/zinc/30/82/04/1186308204.db2.gz WSUBFOMTGPDDHT-LLVKDONJSA-N 1 2 341.327 2.432 10 5 EEBELO Cc1nc([C@@](C)([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000814670635 1199669902 /nfs/dbraw/zinc/66/99/02/1199669902.db2.gz BJFAOWMSEIWSRK-HOCLYGCPSA-N 1 2 332.360 2.235 10 5 EEBELO Cc1cccc(C[N@@H+]2CCO[C@H](CNc3ncc([N+](=O)[O-])cn3)C2)c1 ZINC000866190965 1201461070 /nfs/dbraw/zinc/46/10/70/1201461070.db2.gz PMJJJOHXKNAHMF-MRXNPFEDSA-N 1 2 343.387 2.006 10 5 EEBELO Cc1cccc(C[N@H+]2CCO[C@H](CNc3ncc([N+](=O)[O-])cn3)C2)c1 ZINC000866190965 1201461073 /nfs/dbraw/zinc/46/10/73/1201461073.db2.gz PMJJJOHXKNAHMF-MRXNPFEDSA-N 1 2 343.387 2.006 10 5 EEBELO CNC(=O)[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC000930224551 1206542667 /nfs/dbraw/zinc/54/26/67/1206542667.db2.gz LZCDIOJWKVIVGI-LBPRGKRZSA-N 1 2 344.209 2.218 10 5 EEBELO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869891 1291900488 /nfs/dbraw/zinc/90/04/88/1291900488.db2.gz UQZVALITGBRHAA-SRCQZFHVSA-N 1 2 329.400 2.400 10 5 EEBELO O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869891 1291900492 /nfs/dbraw/zinc/90/04/92/1291900492.db2.gz UQZVALITGBRHAA-SRCQZFHVSA-N 1 2 329.400 2.400 10 5 EEBELO COC(=O)/C=C\c1ccc(NCc2ccc[nH+]c2N)c([N+](=O)[O-])c1 ZINC001163327141 1321098553 /nfs/dbraw/zinc/09/85/53/1321098553.db2.gz PJKMLRXCUZFOIR-ALCCZGGFSA-N 1 2 328.328 2.370 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001620619223 1352360842 /nfs/dbraw/zinc/36/08/42/1352360842.db2.gz XORKRQYNOLSIIW-QWHCGFSZSA-N 1 2 341.371 2.201 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001620619223 1352360843 /nfs/dbraw/zinc/36/08/43/1352360843.db2.gz XORKRQYNOLSIIW-QWHCGFSZSA-N 1 2 341.371 2.201 10 5 EEBELO COC(=O)[C@@](C)(CCF)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559998207 1342505672 /nfs/dbraw/zinc/50/56/72/1342505672.db2.gz VPULRGLKTZRCTO-OAHLLOKOSA-N 1 2 328.340 2.245 10 5 EEBELO C[N@@H+]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@H](c2ccccc2)C1 ZINC001623862628 1352407825 /nfs/dbraw/zinc/40/78/25/1352407825.db2.gz AJVMCPBMSWZWOW-NSHDSACASA-N 1 2 349.778 2.100 10 5 EEBELO C[N@H+]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)[C@H](c2ccccc2)C1 ZINC001623862628 1352407826 /nfs/dbraw/zinc/40/78/26/1352407826.db2.gz AJVMCPBMSWZWOW-NSHDSACASA-N 1 2 349.778 2.100 10 5 EEBELO O=C(Cc1c[nH]c[nH+]1)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001626561080 1352466777 /nfs/dbraw/zinc/46/67/77/1352466777.db2.gz KYNVFOYJHHBUPM-LBPRGKRZSA-N 1 2 346.240 2.419 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@]12CCOC2 ZINC001655905485 1354189522 /nfs/dbraw/zinc/18/95/22/1354189522.db2.gz UFMVNIZMKNONRW-KRWDZBQOSA-N 1 2 333.388 2.487 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@]12CCOC2 ZINC001655905485 1354189526 /nfs/dbraw/zinc/18/95/26/1354189526.db2.gz UFMVNIZMKNONRW-KRWDZBQOSA-N 1 2 333.388 2.487 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804333981 803923268 /nfs/dbraw/zinc/92/32/68/803923268.db2.gz USGCVOKVZHYFMU-UNJUUPHPSA-N 1 2 326.356 2.326 10 5 EEBELO O=C(NCC[N@H+](Cc1sccc1Cl)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493370564 1108008144 /nfs/dbraw/zinc/00/81/44/1108008144.db2.gz JSXWFYDNBAYROS-ZYHUDNBSSA-N 1 2 343.836 2.147 10 5 EEBELO O=C(NCC[N@@H+](Cc1sccc1Cl)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493370564 1108008160 /nfs/dbraw/zinc/00/81/60/1108008160.db2.gz JSXWFYDNBAYROS-ZYHUDNBSSA-N 1 2 343.836 2.147 10 5 EEBELO C[N@H+](CCn1cnnc1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001460751913 1110322991 /nfs/dbraw/zinc/32/29/91/1110322991.db2.gz JIMLXTMAJKLERG-UHFFFAOYSA-N 1 2 340.181 2.081 10 5 EEBELO C[N@@H+](CCn1cnnc1)Cc1ccc([N+](=O)[O-])cc1Br ZINC001460751913 1110322994 /nfs/dbraw/zinc/32/29/94/1110322994.db2.gz JIMLXTMAJKLERG-UHFFFAOYSA-N 1 2 340.181 2.081 10 5 EEBELO Nc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC001471919764 1110535471 /nfs/dbraw/zinc/53/54/71/1110535471.db2.gz VZELCUGJDYPJOX-UHFFFAOYSA-N 1 2 341.371 2.289 10 5 EEBELO COC1(c2nccn2C)CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001473765886 1110580382 /nfs/dbraw/zinc/58/03/82/1110580382.db2.gz PFBLZYOQNUBRLV-UHFFFAOYSA-N 1 2 346.387 2.172 10 5 EEBELO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)c1 ZINC000413378760 238583926 /nfs/dbraw/zinc/58/39/26/238583926.db2.gz FZLKDDDUPBNMHR-UHFFFAOYSA-N 1 2 343.387 2.219 10 5 EEBELO O=[N+]([O-])c1c(NCc2cccnc2-n2cc[nH+]c2)nc2sccn21 ZINC000073291956 216374558 /nfs/dbraw/zinc/37/45/58/216374558.db2.gz BNCOGEVNCXLRKC-UHFFFAOYSA-N 1 2 341.356 2.497 10 5 EEBELO CC(C)c1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000189810869 160150335 /nfs/dbraw/zinc/15/03/35/160150335.db2.gz GMIZPLCNECEKSU-HNNXBMFYSA-N 1 2 347.415 2.311 10 5 EEBELO CC(C)c1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000189810869 160150336 /nfs/dbraw/zinc/15/03/36/160150336.db2.gz GMIZPLCNECEKSU-HNNXBMFYSA-N 1 2 347.415 2.311 10 5 EEBELO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000375952492 167233212 /nfs/dbraw/zinc/23/32/12/167233212.db2.gz BUGCJPPCUZFDGI-OAHLLOKOSA-N 1 2 337.395 2.421 10 5 EEBELO CCOc1cc(N2CC[NH+](Cc3cc[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000279783452 269305419 /nfs/dbraw/zinc/30/54/19/269305419.db2.gz LPSXTXSSGIWRIH-UHFFFAOYSA-N 1 2 331.376 2.039 10 5 EEBELO Cn1c2c([nH+]c1[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1)CCCC2 ZINC000275386619 274244198 /nfs/dbraw/zinc/24/41/98/274244198.db2.gz AIWHDWQRLBTFAC-CQSZACIVSA-N 1 2 328.376 2.339 10 5 EEBELO CO[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000447810916 294578862 /nfs/dbraw/zinc/57/88/62/294578862.db2.gz BRJWQEDGVLXEHF-KSSFIOAISA-N 1 2 349.431 2.288 10 5 EEBELO CCOC(=O)C1(O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413152357 312803784 /nfs/dbraw/zinc/80/37/84/312803784.db2.gz CGURROMJLVESNJ-UHFFFAOYSA-N 1 2 345.355 2.037 10 5 EEBELO CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000566370613 319280082 /nfs/dbraw/zinc/28/00/82/319280082.db2.gz DXHCFHOOHFNXFL-TZMCWYRMSA-N 1 2 346.387 2.307 10 5 EEBELO C[C@@H]1CCCN(c2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2[N+](=O)[O-])C1 ZINC000114336498 462637060 /nfs/dbraw/zinc/63/70/60/462637060.db2.gz PZTMSEHNQPGYRA-GFCCVEGCSA-N 1 2 343.387 2.484 10 5 EEBELO Cc1cccc([N+](=O)[O-])c1NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000343034781 465466665 /nfs/dbraw/zinc/46/66/65/465466665.db2.gz QHXQKMZOWZBDLL-UHFFFAOYSA-N 1 2 346.431 2.259 10 5 EEBELO Cc1ncc(C[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)s1 ZINC000192451262 464928609 /nfs/dbraw/zinc/92/86/09/464928609.db2.gz GWWFFZTXFGXWIZ-UHFFFAOYSA-N 1 2 325.419 2.138 10 5 EEBELO COc1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000337507179 465405189 /nfs/dbraw/zinc/40/51/89/465405189.db2.gz GCNZMBRPKLJEPJ-ZDUSSCGKSA-N 1 2 342.417 2.003 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000337507179 465405190 /nfs/dbraw/zinc/40/51/90/465405190.db2.gz GCNZMBRPKLJEPJ-ZDUSSCGKSA-N 1 2 342.417 2.003 10 5 EEBELO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cn(C4CCC4)nn3)nc2c1 ZINC000597117696 468449405 /nfs/dbraw/zinc/44/94/05/468449405.db2.gz QGPOEPRFJJBSLT-UHFFFAOYSA-N 1 2 327.348 2.077 10 5 EEBELO COC(=O)c1cc(C)nc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000367279482 466234454 /nfs/dbraw/zinc/23/44/54/466234454.db2.gz WNUJQPBUVBDSJM-CYBMUJFWSA-N 1 2 348.403 2.007 10 5 EEBELO CCOC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452275495 467343615 /nfs/dbraw/zinc/34/36/15/467343615.db2.gz IUEJMIVVILEWIT-UHFFFAOYSA-N 1 2 330.344 2.032 10 5 EEBELO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000556810065 468579243 /nfs/dbraw/zinc/57/92/43/468579243.db2.gz OTAAXHHPGBRGOB-UHFFFAOYSA-N 1 2 335.404 2.493 10 5 EEBELO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000556810065 468579249 /nfs/dbraw/zinc/57/92/49/468579249.db2.gz OTAAXHHPGBRGOB-UHFFFAOYSA-N 1 2 335.404 2.493 10 5 EEBELO O=[N+]([O-])c1cnc(N2CC[NH+](CCCF)CC2)c(Br)c1 ZINC000599092107 469115773 /nfs/dbraw/zinc/11/57/73/469115773.db2.gz FYTGOCUMZNIXBN-UHFFFAOYSA-N 1 2 347.188 2.234 10 5 EEBELO Cc1cccc2[nH+]c(CNc3cc(N)c([N+](=O)[O-])c(CO)c3)cn21 ZINC000611525866 469272464 /nfs/dbraw/zinc/27/24/64/469272464.db2.gz LRWVATHRPWKVDT-UHFFFAOYSA-N 1 2 327.344 2.238 10 5 EEBELO Cc1c(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cnn1C ZINC000619221268 469552882 /nfs/dbraw/zinc/55/28/82/469552882.db2.gz NLKQMODKGVIBAV-UHFFFAOYSA-N 1 2 332.360 2.040 10 5 EEBELO Cc1c(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cnn1C ZINC000619221268 469552887 /nfs/dbraw/zinc/55/28/87/469552887.db2.gz NLKQMODKGVIBAV-UHFFFAOYSA-N 1 2 332.360 2.040 10 5 EEBELO O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc2[nH+]ccn2c1 ZINC000733968142 577268580 /nfs/dbraw/zinc/26/85/80/577268580.db2.gz QSQUEGDIQOXOQF-UHFFFAOYSA-N 1 2 330.275 2.399 10 5 EEBELO C[C@@H]1CC2(CCC2)C[N@@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000762138062 577695893 /nfs/dbraw/zinc/69/58/93/577695893.db2.gz AVTDRJGYKICLQC-LLVKDONJSA-N 1 2 329.356 2.413 10 5 EEBELO C[C@@H]1CC2(CCC2)C[N@H+]1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000762138062 577695894 /nfs/dbraw/zinc/69/58/94/577695894.db2.gz AVTDRJGYKICLQC-LLVKDONJSA-N 1 2 329.356 2.413 10 5 EEBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872258632 1198116292 /nfs/dbraw/zinc/11/62/92/1198116292.db2.gz SLFVTUMNSSOYOM-VUCTXSBTSA-N 1 2 347.415 2.323 10 5 EEBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872258632 1198116298 /nfs/dbraw/zinc/11/62/98/1198116298.db2.gz SLFVTUMNSSOYOM-VUCTXSBTSA-N 1 2 347.415 2.323 10 5 EEBELO 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CCC(C)(C)NC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743150 462819051 /nfs/dbraw/zinc/81/90/51/462819051.db2.gz UJUFTXSGALPGIY-UHFFFAOYSA-N 1 2 334.420 2.022 10 5 EEBELO O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000077147973 462943121 /nfs/dbraw/zinc/94/31/21/462943121.db2.gz YYMAVWXPRNFMEH-BBRMVZONSA-N 1 2 344.371 2.061 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282813706 464959834 /nfs/dbraw/zinc/95/98/34/464959834.db2.gz OZJMEPJISXZTEV-LBPRGKRZSA-N 1 2 343.387 2.476 10 5 EEBELO O=C(N[C@H]1CCC[C@H](CO)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298177063 465322902 /nfs/dbraw/zinc/32/29/02/465322902.db2.gz DIKZCPZGBNHMNN-JSGCOSHPSA-N 1 2 344.371 2.061 10 5 EEBELO CCOc1cc(C[N@H+](CCO)Cc2ccnn2CC)ccc1[N+](=O)[O-] ZINC000361369822 465941360 /nfs/dbraw/zinc/94/13/60/465941360.db2.gz MRKPVDHYFUPJNM-UHFFFAOYSA-N 1 2 348.403 2.204 10 5 EEBELO CCOc1cc(C[N@@H+](CCO)Cc2ccnn2CC)ccc1[N+](=O)[O-] ZINC000361369822 465941367 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Cc1noc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595476125 468869407 /nfs/dbraw/zinc/86/94/07/468869407.db2.gz QVFKYEJSOKANSH-ZETOZRRWSA-N 1 2 325.365 2.050 10 5 EEBELO Cc1noc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1[N+](=O)[O-] ZINC000595476125 468869409 /nfs/dbraw/zinc/86/94/09/468869409.db2.gz QVFKYEJSOKANSH-ZETOZRRWSA-N 1 2 325.365 2.050 10 5 EEBELO O=C(N[C@H]1CCn2cc[nH+]c2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601468401 468888020 /nfs/dbraw/zinc/88/80/20/468888020.db2.gz CQJBAAHWUWKZMQ-AWEZNQCLSA-N 1 2 340.383 2.344 10 5 EEBELO C[C@H]1C[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)C1O ZINC000595742475 468983548 /nfs/dbraw/zinc/98/35/48/468983548.db2.gz GYXLAKLGPGQCRY-UWVGGRQHSA-N 1 2 341.795 2.135 10 5 EEBELO O=C(Cc1cn2c([nH+]1)CCCC2)NCCc1ccccc1[N+](=O)[O-] ZINC000593489861 469003424 /nfs/dbraw/zinc/00/34/24/469003424.db2.gz YORPTLHTCOSDBI-UHFFFAOYSA-N 1 2 328.372 2.029 10 5 EEBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000587051748 469084884 /nfs/dbraw/zinc/08/48/84/469084884.db2.gz SAILOEMROYMQIY-HUUCEWRRSA-N 1 2 342.399 2.491 10 5 EEBELO NC(=O)NC[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599025510 469093288 /nfs/dbraw/zinc/09/32/88/469093288.db2.gz QAOKRDGOTOLUPE-LLVKDONJSA-N 1 2 329.360 2.028 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCCSCC1 ZINC000619151957 469538899 /nfs/dbraw/zinc/53/88/99/469538899.db2.gz HPJIJAALAMOTKZ-UHFFFAOYSA-N 1 2 337.445 2.370 10 5 EEBELO COc1cc(COC(=O)CCc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000751457469 577753245 /nfs/dbraw/zinc/75/32/45/577753245.db2.gz YBVIYPIKOKSSSO-UHFFFAOYSA-N 1 2 331.328 2.257 10 5 EEBELO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025500850 684830883 /nfs/dbraw/zinc/83/08/83/684830883.db2.gz GHDWBWFCZJAJNY-SDDRHHMPSA-N 1 2 338.364 2.413 10 5 EEBELO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025500850 684830885 /nfs/dbraw/zinc/83/08/85/684830885.db2.gz GHDWBWFCZJAJNY-SDDRHHMPSA-N 1 2 338.364 2.413 10 5 EEBELO Cc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000866181324 1201457539 /nfs/dbraw/zinc/45/75/39/1201457539.db2.gz BOBLDNIYCRCPGS-UHFFFAOYSA-N 1 2 329.360 2.142 10 5 EEBELO Cc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000866181324 1201457541 /nfs/dbraw/zinc/45/75/41/1201457541.db2.gz BOBLDNIYCRCPGS-UHFFFAOYSA-N 1 2 329.360 2.142 10 5 EEBELO C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880438635 1201489353 /nfs/dbraw/zinc/48/93/53/1201489353.db2.gz PSGYRDMNMOJSKL-MWLCHTKSSA-N 1 2 327.768 2.032 10 5 EEBELO C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880438635 1201489355 /nfs/dbraw/zinc/48/93/55/1201489355.db2.gz PSGYRDMNMOJSKL-MWLCHTKSSA-N 1 2 327.768 2.032 10 5 EEBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1c1cc[nH+]cc1 ZINC000881633593 1201730584 /nfs/dbraw/zinc/73/05/84/1201730584.db2.gz YSADNDMTMDDDPQ-GFCCVEGCSA-N 1 2 342.355 2.046 10 5 EEBELO C/C(=C\C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000887398599 1204297020 /nfs/dbraw/zinc/29/70/20/1204297020.db2.gz COQZRXLTPDQLPS-ATGUSINASA-N 1 2 347.415 2.093 10 5 EEBELO O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802239223 1237151104 /nfs/dbraw/zinc/15/11/04/1237151104.db2.gz SWJRBMHUGOTMSB-GFCCVEGCSA-N 1 2 328.365 2.274 10 5 EEBELO O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802239223 1237151109 /nfs/dbraw/zinc/15/11/09/1237151109.db2.gz SWJRBMHUGOTMSB-GFCCVEGCSA-N 1 2 328.365 2.274 10 5 EEBELO CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001317730858 1332391483 /nfs/dbraw/zinc/39/14/83/1332391483.db2.gz YDFSGIRCVKBNFJ-IYBDPMFKSA-N 1 2 347.415 2.197 10 5 EEBELO CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001317730858 1332391487 /nfs/dbraw/zinc/39/14/87/1332391487.db2.gz YDFSGIRCVKBNFJ-IYBDPMFKSA-N 1 2 347.415 2.197 10 5 EEBELO Nc1nnc([C@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)o1 ZINC001174965113 797950593 /nfs/dbraw/zinc/95/05/93/797950593.db2.gz JNBCRWOOWDZXCI-QMMMGPOBSA-N 1 2 339.302 2.218 10 5 EEBELO Nc1nnc([C@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)o1 ZINC001174965113 797950599 /nfs/dbraw/zinc/95/05/99/797950599.db2.gz JNBCRWOOWDZXCI-QMMMGPOBSA-N 1 2 339.302 2.218 10 5 EEBELO Cc1c(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)cccc1[N+](=O)[O-] ZINC001447715413 1103163715 /nfs/dbraw/zinc/16/37/15/1103163715.db2.gz CMTODTQXSKVHIP-INIZCTEOSA-N 1 2 343.387 2.323 10 5 EEBELO Cc1c(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)cccc1[N+](=O)[O-] ZINC001447715413 1103163721 /nfs/dbraw/zinc/16/37/21/1103163721.db2.gz CMTODTQXSKVHIP-INIZCTEOSA-N 1 2 343.387 2.323 10 5 EEBELO CC[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc([N+](=O)[O-])c1 ZINC001459862561 1110249004 /nfs/dbraw/zinc/24/90/04/1110249004.db2.gz DPLHGZJQBCHWOT-AWEZNQCLSA-N 1 2 344.371 2.404 10 5 EEBELO O=C(Nc1ccn2cc[nH+]c2c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001460690799 1110320708 /nfs/dbraw/zinc/32/07/08/1110320708.db2.gz RQUMLRUEBQXACR-UHFFFAOYSA-N 1 2 326.268 2.224 10 5 EEBELO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194502662 282100699 /nfs/dbraw/zinc/10/06/99/282100699.db2.gz DIIVEECDUCNEGE-LBPRGKRZSA-N 1 2 332.320 2.028 10 5 EEBELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000065297146 201154048 /nfs/dbraw/zinc/15/40/48/201154048.db2.gz OLTLUUXLFZPHMJ-CQSZACIVSA-N 1 2 335.404 2.436 10 5 EEBELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000065297146 201154051 /nfs/dbraw/zinc/15/40/51/201154051.db2.gz OLTLUUXLFZPHMJ-CQSZACIVSA-N 1 2 335.404 2.436 10 5 EEBELO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1 ZINC000174874661 207067095 /nfs/dbraw/zinc/06/70/95/207067095.db2.gz YUPVQVXEDKVJLA-BLLLJJGKSA-N 1 2 334.351 2.392 10 5 EEBELO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H](c2ccc(F)cc2)O1 ZINC000174874661 207067100 /nfs/dbraw/zinc/06/71/00/207067100.db2.gz YUPVQVXEDKVJLA-BLLLJJGKSA-N 1 2 334.351 2.392 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2nccn2C)CC1 ZINC000105930626 208580731 /nfs/dbraw/zinc/58/07/31/208580731.db2.gz ZZGKTKSDQMDFMZ-CQSZACIVSA-N 1 2 329.404 2.207 10 5 EEBELO COc1cc(C[NH+]2CCN(Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000352406063 162124551 /nfs/dbraw/zinc/12/45/51/162124551.db2.gz POMHKKDVWXXMJX-UHFFFAOYSA-N 1 2 348.428 2.378 10 5 EEBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364318720 165092936 /nfs/dbraw/zinc/09/29/36/165092936.db2.gz RPEOBOLNIVBJMU-TVQRCGJNSA-N 1 2 339.779 2.032 10 5 EEBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364318720 165092940 /nfs/dbraw/zinc/09/29/40/165092940.db2.gz RPEOBOLNIVBJMU-TVQRCGJNSA-N 1 2 339.779 2.032 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369352930 166242900 /nfs/dbraw/zinc/24/29/00/166242900.db2.gz LSQYOVODMGONDO-GFCCVEGCSA-N 1 2 329.360 2.052 10 5 EEBELO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1)CCCC2 ZINC000275386616 274244228 /nfs/dbraw/zinc/24/42/28/274244228.db2.gz AIWHDWQRLBTFAC-AWEZNQCLSA-N 1 2 328.376 2.339 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000103411483 279157861 /nfs/dbraw/zinc/15/78/61/279157861.db2.gz RGCKSGUHXREYIW-UHFFFAOYSA-N 1 2 326.356 2.390 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000103411483 279157863 /nfs/dbraw/zinc/15/78/63/279157863.db2.gz RGCKSGUHXREYIW-UHFFFAOYSA-N 1 2 326.356 2.390 10 5 EEBELO Cc1cn2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000339272618 465181487 /nfs/dbraw/zinc/18/14/87/465181487.db2.gz ITVWIDRBXHHJQM-UHFFFAOYSA-N 1 2 328.332 2.121 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045076163 462556114 /nfs/dbraw/zinc/55/61/14/462556114.db2.gz BLZXFUTXLWPWDB-UHFFFAOYSA-N 1 2 341.371 2.223 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000130837582 462778715 /nfs/dbraw/zinc/77/87/15/462778715.db2.gz BDOOADPXDCVRBZ-UHFFFAOYSA-N 1 2 332.360 2.143 10 5 EEBELO CC[C@@H](C)NC(=O)CN1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000044743625 463692223 /nfs/dbraw/zinc/69/22/23/463692223.db2.gz SMBMHDICPSOUSL-CABCVRRESA-N 1 2 348.447 2.188 10 5 EEBELO CC[C@@H](C)NC(=O)C[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000044743625 463692226 /nfs/dbraw/zinc/69/22/26/463692226.db2.gz SMBMHDICPSOUSL-CABCVRRESA-N 1 2 348.447 2.188 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594098910 468483651 /nfs/dbraw/zinc/48/36/51/468483651.db2.gz JYWHGDPDIGUJEA-MCIONIFRSA-N 1 2 335.404 2.131 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594098910 468483654 /nfs/dbraw/zinc/48/36/54/468483654.db2.gz JYWHGDPDIGUJEA-MCIONIFRSA-N 1 2 335.404 2.131 10 5 EEBELO Cc1c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594108833 468486629 /nfs/dbraw/zinc/48/66/29/468486629.db2.gz XSHJNUZJKOJODX-UPJWGTAASA-N 1 2 335.404 2.131 10 5 EEBELO Cc1c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000594108833 468486634 /nfs/dbraw/zinc/48/66/34/468486634.db2.gz XSHJNUZJKOJODX-UPJWGTAASA-N 1 2 335.404 2.131 10 5 EEBELO CC(C)(C)CC[NH+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000350661501 466568224 /nfs/dbraw/zinc/56/82/24/466568224.db2.gz QQJBEUUCHYFKFF-UHFFFAOYSA-N 1 2 335.404 2.494 10 5 EEBELO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000408042499 467499023 /nfs/dbraw/zinc/49/90/23/467499023.db2.gz RJBGCVBDAQGUGC-QWHCGFSZSA-N 1 2 341.433 2.006 10 5 EEBELO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000408042499 467499026 /nfs/dbraw/zinc/49/90/26/467499026.db2.gz RJBGCVBDAQGUGC-QWHCGFSZSA-N 1 2 341.433 2.006 10 5 EEBELO C[C@H]1CN(CCO)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449784300 467714156 /nfs/dbraw/zinc/71/41/56/467714156.db2.gz ABEQGXWVLYFVDV-AWEZNQCLSA-N 1 2 345.399 2.353 10 5 EEBELO C[C@H]1CN(CCO)CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449784300 467714160 /nfs/dbraw/zinc/71/41/60/467714160.db2.gz ABEQGXWVLYFVDV-AWEZNQCLSA-N 1 2 345.399 2.353 10 5 EEBELO Cc1nc(N)c(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000565853330 468138805 /nfs/dbraw/zinc/13/88/05/468138805.db2.gz CLRPKDIAQGRTGN-UHFFFAOYSA-N 1 2 329.360 2.329 10 5 EEBELO Cn1nncc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132614 468632615 /nfs/dbraw/zinc/63/26/15/468632615.db2.gz LDZZDAHCAIELDN-KOMQPUFPSA-N 1 2 345.403 2.029 10 5 EEBELO Cn1nncc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132614 468632624 /nfs/dbraw/zinc/63/26/24/468632624.db2.gz LDZZDAHCAIELDN-KOMQPUFPSA-N 1 2 345.403 2.029 10 5 EEBELO C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000598212593 468795348 /nfs/dbraw/zinc/79/53/48/468795348.db2.gz LRWTVHMRNOWXDZ-OCCSQVGLSA-N 1 2 344.371 2.468 10 5 EEBELO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)O1 ZINC000601769974 469015110 /nfs/dbraw/zinc/01/51/10/469015110.db2.gz QJBQDHOXVPTHMR-NTZNESFSSA-N 1 2 330.344 2.076 10 5 EEBELO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000573241340 469091839 /nfs/dbraw/zinc/09/18/39/469091839.db2.gz ARMRSAUPEUMCJP-ZFWWWQNUSA-N 1 2 346.431 2.168 10 5 EEBELO CC(=O)NC[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599026511 469093051 /nfs/dbraw/zinc/09/30/51/469093051.db2.gz CKLWKEPJNCAPKN-CYBMUJFWSA-N 1 2 328.372 2.496 10 5 EEBELO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCO[C@@H](C(F)F)CC1)OCCO2 ZINC000601974792 469121816 /nfs/dbraw/zinc/12/18/16/469121816.db2.gz VKHYBJWPBMMPMW-GFCCVEGCSA-N 1 2 344.314 2.222 10 5 EEBELO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCO[C@@H](C(F)F)CC1)OCCO2 ZINC000601974792 469121820 /nfs/dbraw/zinc/12/18/20/469121820.db2.gz VKHYBJWPBMMPMW-GFCCVEGCSA-N 1 2 344.314 2.222 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601978191 469125452 /nfs/dbraw/zinc/12/54/52/469125452.db2.gz VPCTYTPJFZNJAU-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601978191 469125458 /nfs/dbraw/zinc/12/54/58/469125458.db2.gz VPCTYTPJFZNJAU-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c(F)c1 ZINC000610032098 469975631 /nfs/dbraw/zinc/97/56/31/469975631.db2.gz BKHVOOGNFDMUNG-UHFFFAOYSA-N 1 2 336.304 2.182 10 5 EEBELO COc1cc(COC(=O)CCc2ccc(N)[nH+]c2)c([N+](=O)[O-])cc1F ZINC000766214742 577515276 /nfs/dbraw/zinc/51/52/76/577515276.db2.gz ZBQRGFNAWAICJY-UHFFFAOYSA-N 1 2 349.318 2.396 10 5 EEBELO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001132814844 1200059863 /nfs/dbraw/zinc/05/98/63/1200059863.db2.gz DGWMDHLEQZLJER-OAHLLOKOSA-N 1 2 339.355 2.301 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cnn(-c3ccccc3)n1)CC2 ZINC000779202703 1209332313 /nfs/dbraw/zinc/33/23/13/1209332313.db2.gz NNIYDRIPGCGLIZ-UHFFFAOYSA-N 1 2 336.355 2.129 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cnn(-c3ccccc3)n1)CC2 ZINC000779202703 1209332315 /nfs/dbraw/zinc/33/23/15/1209332315.db2.gz NNIYDRIPGCGLIZ-UHFFFAOYSA-N 1 2 336.355 2.129 10 5 EEBELO C/C(=C\C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000857944760 1293962367 /nfs/dbraw/zinc/96/23/67/1293962367.db2.gz MPLVRHRHJBNEKZ-BCNIOPEESA-N 1 2 326.356 2.326 10 5 EEBELO COC(=O)c1cc(C)nc(NCc2[nH]c3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC001164212636 1321319853 /nfs/dbraw/zinc/31/98/53/1321319853.db2.gz XCILCZUWQMJRQD-UHFFFAOYSA-N 1 2 345.359 2.299 10 5 EEBELO COC(=O)N(C)CC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001330664619 1334884448 /nfs/dbraw/zinc/88/44/48/1334884448.db2.gz HNJWNDPVGZEPQH-UHFFFAOYSA-N 1 2 347.375 2.046 10 5 EEBELO COC(=O)N(C)CC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001330664619 1334884449 /nfs/dbraw/zinc/88/44/49/1334884449.db2.gz HNJWNDPVGZEPQH-UHFFFAOYSA-N 1 2 347.375 2.046 10 5 EEBELO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc([N+](=O)[O-])cc1 ZINC001620568535 1352360492 /nfs/dbraw/zinc/36/04/92/1352360492.db2.gz LHKBFTKDQULOLF-SNVBAGLBSA-N 1 2 330.344 2.014 10 5 EEBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1csnn1 ZINC001584089070 1348720562 /nfs/dbraw/zinc/72/05/62/1348720562.db2.gz KCOAIKFPMHKFHO-VIFPVBQESA-N 1 2 344.356 2.123 10 5 EEBELO Cc1oncc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001647834058 1353403996 /nfs/dbraw/zinc/40/39/96/1353403996.db2.gz BZPVAVNOCDPKKQ-UHFFFAOYSA-N 1 2 327.300 2.007 10 5 EEBELO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC001654932605 1354162009 /nfs/dbraw/zinc/16/20/09/1354162009.db2.gz KOTXBBWYOVMFRB-GFCCVEGCSA-N 1 2 332.360 2.447 10 5 EEBELO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC001654932605 1354162020 /nfs/dbraw/zinc/16/20/20/1354162020.db2.gz KOTXBBWYOVMFRB-GFCCVEGCSA-N 1 2 332.360 2.447 10 5 EEBELO C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1cccc([N+](=O)[O-])c1 ZINC001657985084 1354351478 /nfs/dbraw/zinc/35/14/78/1354351478.db2.gz IYNBTJACYYPHIA-SNVBAGLBSA-N 1 2 330.344 2.014 10 5 EEBELO Cn1cc([N+](=O)[O-])c(N2CC[NH+](C/C=C\c3ccccc3)CC2)n1 ZINC001185116432 802357573 /nfs/dbraw/zinc/35/75/73/802357573.db2.gz JDDROLKPOOMIPJ-YVMONPNESA-N 1 2 327.388 2.164 10 5 EEBELO C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001447187651 1102162095 /nfs/dbraw/zinc/16/20/95/1102162095.db2.gz STIUCEHHIPJNGE-INIZCTEOSA-N 1 2 343.387 2.057 10 5 EEBELO C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)[nH]n1 ZINC001447187651 1102162104 /nfs/dbraw/zinc/16/21/04/1102162104.db2.gz STIUCEHHIPJNGE-INIZCTEOSA-N 1 2 343.387 2.057 10 5 EEBELO O=C(NCCn1cc[nH+]c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001540772335 1124093123 /nfs/dbraw/zinc/09/31/23/1124093123.db2.gz SVCKBDNIDUCLDS-UHFFFAOYSA-N 1 2 337.339 2.283 10 5 EEBELO COC(=O)C(C)(C)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000494382444 290873427 /nfs/dbraw/zinc/87/34/27/290873427.db2.gz CKSOALPKWDYOQH-CYBMUJFWSA-N 1 2 335.404 2.225 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000425976796 241191960 /nfs/dbraw/zinc/19/19/60/241191960.db2.gz HUMKRMBBSWYDNI-QGZVFWFLSA-N 1 2 346.431 2.481 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000425976796 241191965 /nfs/dbraw/zinc/19/19/65/241191965.db2.gz HUMKRMBBSWYDNI-QGZVFWFLSA-N 1 2 346.431 2.481 10 5 EEBELO Cc1n[nH]c(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000072303274 203197342 /nfs/dbraw/zinc/19/73/42/203197342.db2.gz BTFIWIOLOBMDEF-JTQLQIEISA-N 1 2 340.343 2.303 10 5 EEBELO CC(C)C[C@@H](CO)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187129320 160092688 /nfs/dbraw/zinc/09/26/88/160092688.db2.gz SVDRQLYDEAOAHT-AWEZNQCLSA-N 1 2 346.387 2.260 10 5 EEBELO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)CS(=O)(=O)CC ZINC000352405654 162124407 /nfs/dbraw/zinc/12/44/07/162124407.db2.gz NZFOXRBMDFSNEN-GFCCVEGCSA-N 1 2 344.433 2.249 10 5 EEBELO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)CS(=O)(=O)CC ZINC000352405654 162124411 /nfs/dbraw/zinc/12/44/11/162124411.db2.gz NZFOXRBMDFSNEN-GFCCVEGCSA-N 1 2 344.433 2.249 10 5 EEBELO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000359946484 164201651 /nfs/dbraw/zinc/20/16/51/164201651.db2.gz KJEXGMIJDLZFKC-UHFFFAOYSA-N 1 2 331.351 2.346 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368786187 166126592 /nfs/dbraw/zinc/12/65/92/166126592.db2.gz IYUDKNPJINGODH-ZANVPECISA-N 1 2 339.779 2.032 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368786187 166126594 /nfs/dbraw/zinc/12/65/94/166126594.db2.gz IYUDKNPJINGODH-ZANVPECISA-N 1 2 339.779 2.032 10 5 EEBELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccccc1 ZINC000185736983 274022304 /nfs/dbraw/zinc/02/23/04/274022304.db2.gz HCWQYHJPYJEJAT-WBVHZDCISA-N 1 2 341.367 2.476 10 5 EEBELO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccccc1 ZINC000185736983 274022306 /nfs/dbraw/zinc/02/23/06/274022306.db2.gz HCWQYHJPYJEJAT-WBVHZDCISA-N 1 2 341.367 2.476 10 5 EEBELO COCCN1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000191706507 274050493 /nfs/dbraw/zinc/05/04/93/274050493.db2.gz VZWOQGQTAJPUTK-UHFFFAOYSA-N 1 2 349.431 2.399 10 5 EEBELO COCCN1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000191706507 274050495 /nfs/dbraw/zinc/05/04/95/274050495.db2.gz VZWOQGQTAJPUTK-UHFFFAOYSA-N 1 2 349.431 2.399 10 5 EEBELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccccc1 ZINC000245824952 290143253 /nfs/dbraw/zinc/14/32/53/290143253.db2.gz FMCQXZGPODLZRO-RHSMWYFYSA-N 1 2 341.367 2.476 10 5 EEBELO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccccc1 ZINC000245824952 290143254 /nfs/dbraw/zinc/14/32/54/290143254.db2.gz FMCQXZGPODLZRO-RHSMWYFYSA-N 1 2 341.367 2.476 10 5 EEBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](OC(F)F)C3)o2)cc1 ZINC000582015895 324362410 /nfs/dbraw/zinc/36/24/10/324362410.db2.gz VCNHXPQRUVECMX-NSHDSACASA-N 1 2 340.286 2.458 10 5 EEBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@H](OC(F)F)C3)o2)cc1 ZINC000582015895 324362411 /nfs/dbraw/zinc/36/24/11/324362411.db2.gz VCNHXPQRUVECMX-NSHDSACASA-N 1 2 340.286 2.458 10 5 EEBELO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000584109926 324798866 /nfs/dbraw/zinc/79/88/66/324798866.db2.gz KOHQVJOXAHKEDG-STQMWFEESA-N 1 2 334.420 2.390 10 5 EEBELO Cc1c(CNC(=O)NCc2ccc[nH+]c2N(C)C)cccc1[N+](=O)[O-] ZINC000358563788 465194815 /nfs/dbraw/zinc/19/48/15/465194815.db2.gz QUSGFYFYCAGEIP-UHFFFAOYSA-N 1 2 343.387 2.364 10 5 EEBELO COc1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)n1 ZINC000337141430 465212040 /nfs/dbraw/zinc/21/20/40/465212040.db2.gz VSWGTMSETMSHEU-UHFFFAOYSA-N 1 2 343.387 2.024 10 5 EEBELO C[C@@H]1CN(c2ccc(CNc3ccncc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000066809054 462932408 /nfs/dbraw/zinc/93/24/08/462932408.db2.gz REUYAKIDBCWEJY-GFCCVEGCSA-N 1 2 329.360 2.222 10 5 EEBELO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093766978 463047874 /nfs/dbraw/zinc/04/78/74/463047874.db2.gz GLZBCFYQHVDZKP-GFCCVEGCSA-N 1 2 329.347 2.462 10 5 EEBELO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093766978 463047878 /nfs/dbraw/zinc/04/78/78/463047878.db2.gz GLZBCFYQHVDZKP-GFCCVEGCSA-N 1 2 329.347 2.462 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158147750 463209814 /nfs/dbraw/zinc/20/98/14/463209814.db2.gz YLCXGPNBFASMLY-HLLBOEOZSA-N 1 2 336.388 2.372 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158147750 463209821 /nfs/dbraw/zinc/20/98/21/463209821.db2.gz YLCXGPNBFASMLY-HLLBOEOZSA-N 1 2 336.388 2.372 10 5 EEBELO Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105900192 463494173 /nfs/dbraw/zinc/49/41/73/463494173.db2.gz HXMZGTMNSPLPGL-AWEZNQCLSA-N 1 2 343.387 2.375 10 5 EEBELO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105900192 463494178 /nfs/dbraw/zinc/49/41/78/463494178.db2.gz HXMZGTMNSPLPGL-AWEZNQCLSA-N 1 2 343.387 2.375 10 5 EEBELO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000295185296 464738058 /nfs/dbraw/zinc/73/80/58/464738058.db2.gz WMOZXWOHISAGKO-GJZGRUSLSA-N 1 2 325.796 2.153 10 5 EEBELO CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000295185296 464738063 /nfs/dbraw/zinc/73/80/63/464738063.db2.gz WMOZXWOHISAGKO-GJZGRUSLSA-N 1 2 325.796 2.153 10 5 EEBELO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN2CCO[C@H]1C2 ZINC000295185296 464738067 /nfs/dbraw/zinc/73/80/67/464738067.db2.gz WMOZXWOHISAGKO-GJZGRUSLSA-N 1 2 325.796 2.153 10 5 EEBELO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCN2CCO[C@H]1C2 ZINC000295185296 464738073 /nfs/dbraw/zinc/73/80/73/464738073.db2.gz WMOZXWOHISAGKO-GJZGRUSLSA-N 1 2 325.796 2.153 10 5 EEBELO CC(C)N1C(=O)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000362353103 465672951 /nfs/dbraw/zinc/67/29/51/465672951.db2.gz LUQIJTVHGFMBNR-UHFFFAOYSA-N 1 2 335.404 2.305 10 5 EEBELO CC(C)N1C(=O)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000362353103 465672959 /nfs/dbraw/zinc/67/29/59/465672959.db2.gz LUQIJTVHGFMBNR-UHFFFAOYSA-N 1 2 335.404 2.305 10 5 EEBELO COc1cc(CNc2[nH]c3ccc(F)cc3[nH+]2)cc([N+](=O)[O-])c1O ZINC000362648132 465909613 /nfs/dbraw/zinc/90/96/13/465909613.db2.gz KCOHMAIJANWUPK-UHFFFAOYSA-N 1 2 332.291 2.358 10 5 EEBELO COc1cc(CNc2[nH]c3cc(F)ccc3[nH+]2)cc([N+](=O)[O-])c1O ZINC000362648132 465909620 /nfs/dbraw/zinc/90/96/20/465909620.db2.gz KCOHMAIJANWUPK-UHFFFAOYSA-N 1 2 332.291 2.358 10 5 EEBELO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000357351549 465972807 /nfs/dbraw/zinc/97/28/07/465972807.db2.gz KCRPFJKWGCTHSR-AWEZNQCLSA-N 1 2 341.367 2.305 10 5 EEBELO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000357351549 465972812 /nfs/dbraw/zinc/97/28/12/465972812.db2.gz KCRPFJKWGCTHSR-AWEZNQCLSA-N 1 2 341.367 2.305 10 5 EEBELO CCc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000411688741 466879290 /nfs/dbraw/zinc/87/92/90/466879290.db2.gz AJXXEJZILHEGGR-UHFFFAOYSA-N 1 2 347.375 2.394 10 5 EEBELO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)nc1 ZINC000450557839 467870309 /nfs/dbraw/zinc/87/03/09/467870309.db2.gz BXWAHJRIIQPEFK-LLVKDONJSA-N 1 2 346.416 2.405 10 5 EEBELO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)nc1 ZINC000450557839 467870310 /nfs/dbraw/zinc/87/03/10/467870310.db2.gz BXWAHJRIIQPEFK-LLVKDONJSA-N 1 2 346.416 2.405 10 5 EEBELO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587045477 469085352 /nfs/dbraw/zinc/08/53/52/469085352.db2.gz QZDPUGJPMQIIDH-JTQLQIEISA-N 1 2 325.328 2.017 10 5 EEBELO COc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000596426876 469262883 /nfs/dbraw/zinc/26/28/83/469262883.db2.gz CMEBKCDNYOVGIH-WDEREUQCSA-N 1 2 327.356 2.264 10 5 EEBELO COc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000596426876 469262886 /nfs/dbraw/zinc/26/28/86/469262886.db2.gz CMEBKCDNYOVGIH-WDEREUQCSA-N 1 2 327.356 2.264 10 5 EEBELO CN(C[C@H]1C[N@H+](C)CCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609512414 469934483 /nfs/dbraw/zinc/93/44/83/469934483.db2.gz OKQARSXKNZGJJT-LLVKDONJSA-N 1 2 344.209 2.124 10 5 EEBELO CN(C[C@H]1C[N@@H+](C)CCO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609512414 469934489 /nfs/dbraw/zinc/93/44/89/469934489.db2.gz OKQARSXKNZGJJT-LLVKDONJSA-N 1 2 344.209 2.124 10 5 EEBELO COc1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000184232169 533822606 /nfs/dbraw/zinc/82/26/06/533822606.db2.gz GIXLZCIXXPFGDO-LBPRGKRZSA-N 1 2 338.257 2.242 10 5 EEBELO COc1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000184232169 533822615 /nfs/dbraw/zinc/82/26/15/533822615.db2.gz GIXLZCIXXPFGDO-LBPRGKRZSA-N 1 2 338.257 2.242 10 5 EEBELO O=[N+]([O-])c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c2nonc21 ZINC000744165092 577894041 /nfs/dbraw/zinc/89/40/41/577894041.db2.gz SCMPEKLCJZGKGS-UHFFFAOYSA-N 1 2 337.299 2.324 10 5 EEBELO COc1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000895812043 684733974 /nfs/dbraw/zinc/73/39/74/684733974.db2.gz JJJVJSPFEVQMJB-UHFFFAOYSA-N 1 2 332.360 2.160 10 5 EEBELO C/C(=C\C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C[NH+]1CCOCC1 ZINC000899936999 693931642 /nfs/dbraw/zinc/93/16/42/693931642.db2.gz LEQGYNLSHJMUKO-XYOKQWHBSA-N 1 2 333.388 2.429 10 5 EEBELO O=C(N[C@H]1COC2(CCC2)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000855657683 1293289165 /nfs/dbraw/zinc/28/91/65/1293289165.db2.gz VIEWATCEDFTYAF-CYBMUJFWSA-N 1 2 342.355 2.222 10 5 EEBELO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001329689098 1334697526 /nfs/dbraw/zinc/69/75/26/1334697526.db2.gz FWGPTJHRAJKNPR-HTQZYQBOSA-N 1 2 337.273 2.452 10 5 EEBELO CNc1nccc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC001595395720 1349885419 /nfs/dbraw/zinc/88/54/19/1349885419.db2.gz NVXLAKZDEAXXFC-UHFFFAOYSA-N 1 2 338.327 2.470 10 5 EEBELO O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001596252091 1349904003 /nfs/dbraw/zinc/90/40/03/1349904003.db2.gz KAZYFUWHMDRNNH-INIZCTEOSA-N 1 2 338.323 2.453 10 5 EEBELO Cc1[nH]c(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[nH+]c1C ZINC001635375190 1352643392 /nfs/dbraw/zinc/64/33/92/1352643392.db2.gz CKGYWFPADPDXRG-UHFFFAOYSA-N 1 2 329.360 2.439 10 5 EEBELO O=C(NCc1ccc(F)cn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001635497386 1352647216 /nfs/dbraw/zinc/64/72/16/1352647216.db2.gz RJYGJNFEKSTCIU-UHFFFAOYSA-N 1 2 341.302 2.245 10 5 EEBELO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001639052530 1352693679 /nfs/dbraw/zinc/69/36/79/1352693679.db2.gz YTXLQJOVYWTFMV-VHDGCEQUSA-N 1 2 326.356 2.026 10 5 EEBELO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)C(C)(C)C ZINC001667546156 1355757576 /nfs/dbraw/zinc/75/75/76/1355757576.db2.gz SMSFIVIYFIPOTD-UHFFFAOYSA-N 1 2 335.404 2.100 10 5 EEBELO CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)C(C)(C)C ZINC001667546156 1355757580 /nfs/dbraw/zinc/75/75/80/1355757580.db2.gz SMSFIVIYFIPOTD-UHFFFAOYSA-N 1 2 335.404 2.100 10 5 EEBELO CC(=O)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000846953169 790771830 /nfs/dbraw/zinc/77/18/30/790771830.db2.gz VRZYYPLPOBUESI-UHFFFAOYSA-N 1 2 330.344 2.446 10 5 EEBELO Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cs1 ZINC001136300047 785780958 /nfs/dbraw/zinc/78/09/58/785780958.db2.gz DVDJVFIITAOZBD-UHFFFAOYSA-N 1 2 343.368 2.475 10 5 EEBELO C[C@@H]1CN=C(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)S1 ZINC001451892175 1098013344 /nfs/dbraw/zinc/01/33/44/1098013344.db2.gz VFCFZJZGCHAFDM-SECBINFHSA-N 1 2 331.357 2.002 10 5 EEBELO COC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000351842943 291244342 /nfs/dbraw/zinc/24/43/42/291244342.db2.gz BEHGTJIEJCXNDZ-MRXNPFEDSA-N 1 2 335.404 2.305 10 5 EEBELO COC(=O)c1cc(C)nc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450835427 284527154 /nfs/dbraw/zinc/52/71/54/284527154.db2.gz XAZBWEZUNWQEPH-ONGXEEELSA-N 1 2 331.332 2.399 10 5 EEBELO Cc1sc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000161384328 206344570 /nfs/dbraw/zinc/34/45/70/206344570.db2.gz IZHLEELMOWXWHQ-NSHDSACASA-N 1 2 332.385 2.368 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)nc2c1 ZINC000177049805 207288316 /nfs/dbraw/zinc/28/83/16/207288316.db2.gz PGNJZDZBRDYKRH-GFCCVEGCSA-N 1 2 328.332 2.165 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](n4cncn4)C3)nc2c1 ZINC000177049805 207288318 /nfs/dbraw/zinc/28/83/18/207288318.db2.gz PGNJZDZBRDYKRH-GFCCVEGCSA-N 1 2 328.332 2.165 10 5 EEBELO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177748383 207388862 /nfs/dbraw/zinc/38/88/62/207388862.db2.gz BQIVVODPWBKWDI-CQSZACIVSA-N 1 2 344.371 2.251 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000191553238 256006430 /nfs/dbraw/zinc/00/64/30/256006430.db2.gz RORJTUGOWULJKN-UHFFFAOYSA-N 1 2 340.343 2.464 10 5 EEBELO CC(=O)c1ccc(N2CCN(c3cc[nH+]c(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000273447571 256297665 /nfs/dbraw/zinc/29/76/65/256297665.db2.gz CRHOQRBPYDURAB-UHFFFAOYSA-N 1 2 341.371 2.222 10 5 EEBELO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000343076783 161100924 /nfs/dbraw/zinc/10/09/24/161100924.db2.gz GVXSJUOXAPZZMS-UHFFFAOYSA-N 1 2 345.355 2.493 10 5 EEBELO CC(C)(C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344357974 161220174 /nfs/dbraw/zinc/22/01/74/161220174.db2.gz VJVYORHZXJHOKV-LBPRGKRZSA-N 1 2 328.372 2.269 10 5 EEBELO CC(C)(C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000344357974 161220175 /nfs/dbraw/zinc/22/01/75/161220175.db2.gz VJVYORHZXJHOKV-LBPRGKRZSA-N 1 2 328.372 2.269 10 5 EEBELO Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360067862 164226720 /nfs/dbraw/zinc/22/67/20/164226720.db2.gz YLGQNHSIKCMIMB-UHFFFAOYSA-N 1 2 333.367 2.098 10 5 EEBELO COc1cc(NCC2([NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000277446362 269156526 /nfs/dbraw/zinc/15/65/26/269156526.db2.gz NSLZOFMPGFTZHV-UHFFFAOYSA-N 1 2 325.340 2.019 10 5 EEBELO CC(=O)c1ccc(N2CCCC[C@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000078619278 278246923 /nfs/dbraw/zinc/24/69/23/278246923.db2.gz PDUAEIXISFWKEL-INIZCTEOSA-N 1 2 347.415 2.489 10 5 EEBELO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000414593729 313045108 /nfs/dbraw/zinc/04/51/08/313045108.db2.gz RGAUOJZLXXLYRK-SJCJKPOMSA-N 1 2 332.356 2.436 10 5 EEBELO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000414593729 313045112 /nfs/dbraw/zinc/04/51/12/313045112.db2.gz RGAUOJZLXXLYRK-SJCJKPOMSA-N 1 2 332.356 2.436 10 5 EEBELO CC[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000421678241 314140457 /nfs/dbraw/zinc/14/04/57/314140457.db2.gz ZFVXXVZNQGDZBV-KGLIPLIRSA-N 1 2 344.371 2.468 10 5 EEBELO COC(=O)c1conc1C(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000425572616 314424734 /nfs/dbraw/zinc/42/47/34/314424734.db2.gz PXKCEVDEBOHPPH-UHFFFAOYSA-N 1 2 349.343 2.273 10 5 EEBELO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])cn2)c1C ZINC000577334954 320249136 /nfs/dbraw/zinc/24/91/36/320249136.db2.gz MTBCIIFSCIOINC-UHFFFAOYSA-N 1 2 330.344 2.282 10 5 EEBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000339093049 465077553 /nfs/dbraw/zinc/07/75/53/465077553.db2.gz GPRSTYAFHIOPMM-UHFFFAOYSA-N 1 2 343.387 2.223 10 5 EEBELO Cc1nc(CN2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)no1 ZINC000105867031 463481544 /nfs/dbraw/zinc/48/15/44/463481544.db2.gz FGRRUKBAYHRLIG-UHFFFAOYSA-N 1 2 337.405 2.056 10 5 EEBELO Cc1nc(CN2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)no1 ZINC000105867031 463481549 /nfs/dbraw/zinc/48/15/49/463481549.db2.gz FGRRUKBAYHRLIG-UHFFFAOYSA-N 1 2 337.405 2.056 10 5 EEBELO Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc[nH+]1 ZINC000111546711 463679787 /nfs/dbraw/zinc/67/97/87/463679787.db2.gz PACFKMUPCHWCBQ-GFCCVEGCSA-N 1 2 344.327 2.135 10 5 EEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277014362 463843829 /nfs/dbraw/zinc/84/38/29/463843829.db2.gz YRBGELQSVMZBFP-NSHDSACASA-N 1 2 342.355 2.081 10 5 EEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277014362 463843834 /nfs/dbraw/zinc/84/38/34/463843834.db2.gz YRBGELQSVMZBFP-NSHDSACASA-N 1 2 342.355 2.081 10 5 EEBELO COC(=O)/C=C\c1ccc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000271638554 464349479 /nfs/dbraw/zinc/34/94/79/464349479.db2.gz PFEJSGYVPWZNRN-RNZFLTOJSA-N 1 2 330.344 2.478 10 5 EEBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366289749 465635666 /nfs/dbraw/zinc/63/56/66/465635666.db2.gz SEYSSBPUTWBGGN-SNVBAGLBSA-N 1 2 330.344 2.004 10 5 EEBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366289749 465635669 /nfs/dbraw/zinc/63/56/69/465635669.db2.gz SEYSSBPUTWBGGN-SNVBAGLBSA-N 1 2 330.344 2.004 10 5 EEBELO O=[N+]([O-])c1cnc(N2CC[NH+]3CCC2CC3)c(Br)c1 ZINC000302792329 466184981 /nfs/dbraw/zinc/18/49/81/466184981.db2.gz YZYHVEFWARWJLS-UHFFFAOYSA-N 1 2 327.182 2.037 10 5 EEBELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363212653 466286738 /nfs/dbraw/zinc/28/67/38/466286738.db2.gz WCYTWIMYNGPECU-UHFFFAOYSA-N 1 2 338.327 2.497 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305768912 466456538 /nfs/dbraw/zinc/45/65/38/466456538.db2.gz VFACLKYFTHHECZ-GPCCPHFNSA-N 1 2 341.795 2.278 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305768912 466456540 /nfs/dbraw/zinc/45/65/40/466456540.db2.gz VFACLKYFTHHECZ-GPCCPHFNSA-N 1 2 341.795 2.278 10 5 EEBELO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCn3cc(C)[nH+]c3C2)c1 ZINC000374709764 466720790 /nfs/dbraw/zinc/72/07/90/466720790.db2.gz ANIMTAHIASFWNB-UHFFFAOYSA-N 1 2 332.385 2.478 10 5 EEBELO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC3CCS(=O)(=O)CC3)c2c1 ZINC000413222615 467192820 /nfs/dbraw/zinc/19/28/20/467192820.db2.gz 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O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cn(-c3ccccc3)nn1)CC2 ZINC000347785967 465226275 /nfs/dbraw/zinc/22/62/75/465226275.db2.gz DIAKWLGQDYAFRZ-UHFFFAOYSA-N 1 2 336.355 2.129 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cn(-c3ccccc3)nn1)CC2 ZINC000347785967 465226279 /nfs/dbraw/zinc/22/62/79/465226279.db2.gz DIAKWLGQDYAFRZ-UHFFFAOYSA-N 1 2 336.355 2.129 10 5 EEBELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000060426305 462549479 /nfs/dbraw/zinc/54/94/79/462549479.db2.gz GFVSZBBOLXIDCC-UHFFFAOYSA-N 1 2 332.385 2.450 10 5 EEBELO CNc1cc(N2CCC[C@@H]2CNc2nc(C)ccc2[N+](=O)[O-])nc[nH+]1 ZINC000124631821 463445890 /nfs/dbraw/zinc/44/58/90/463445890.db2.gz OKGDOODVHVCDHJ-GFCCVEGCSA-N 1 2 343.391 2.211 10 5 EEBELO CNc1cc(N2CCC[C@@H]2CNc2nc(C)ccc2[N+](=O)[O-])[nH+]cn1 ZINC000124631821 463445894 /nfs/dbraw/zinc/44/58/94/463445894.db2.gz OKGDOODVHVCDHJ-GFCCVEGCSA-N 1 2 343.391 2.211 10 5 EEBELO CC[C@H](C)NC(=O)CN1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000044743627 463691960 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345.355 2.460 10 5 EEBELO COCC[C@@H](COC)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000357575721 466146812 /nfs/dbraw/zinc/14/68/12/466146812.db2.gz ATXGTUYOWANZMN-AWEZNQCLSA-N 1 2 346.387 2.246 10 5 EEBELO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600230564 468501704 /nfs/dbraw/zinc/50/17/04/468501704.db2.gz URPNGZHAXVYXGZ-CYBMUJFWSA-N 1 2 333.388 2.437 10 5 EEBELO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600230564 468501707 /nfs/dbraw/zinc/50/17/07/468501707.db2.gz URPNGZHAXVYXGZ-CYBMUJFWSA-N 1 2 333.388 2.437 10 5 EEBELO COc1cc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000592131420 468633204 /nfs/dbraw/zinc/63/32/04/468633204.db2.gz WYQYZWLTQCYVLX-LBPRGKRZSA-N 1 2 327.331 2.129 10 5 EEBELO COc1cc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000592131420 468633207 /nfs/dbraw/zinc/63/32/07/468633207.db2.gz WYQYZWLTQCYVLX-LBPRGKRZSA-N 1 2 327.331 2.129 10 5 EEBELO COCc1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000595066484 468752191 /nfs/dbraw/zinc/75/21/91/468752191.db2.gz HUOBGEPBNOHCGN-GXTWGEPZSA-N 1 2 345.403 2.360 10 5 EEBELO COC(=O)Cc1ccc(NCC(C)(C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000601198024 468778275 /nfs/dbraw/zinc/77/82/75/468778275.db2.gz MAYWCNHUANZOQL-UHFFFAOYSA-N 1 2 332.360 2.354 10 5 EEBELO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000598543212 468907831 /nfs/dbraw/zinc/90/78/31/468907831.db2.gz SXESWOHZJJZYND-UHFFFAOYSA-N 1 2 333.388 2.152 10 5 EEBELO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595823360 469028395 /nfs/dbraw/zinc/02/83/95/469028395.db2.gz JDLCOJFIRDPIQW-ZDUSSCGKSA-N 1 2 340.811 2.436 10 5 EEBELO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595823360 469028399 /nfs/dbraw/zinc/02/83/99/469028399.db2.gz JDLCOJFIRDPIQW-ZDUSSCGKSA-N 1 2 340.811 2.436 10 5 EEBELO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595823330 469028481 /nfs/dbraw/zinc/02/84/81/469028481.db2.gz 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786664621 /nfs/dbraw/zinc/66/46/21/786664621.db2.gz GGLUYLIXTLZXMV-UHFFFAOYSA-N 1 2 346.734 2.087 10 5 EEBELO C[C@@H]([NH2+]Cc1nc(Br)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC000922541702 801284305 /nfs/dbraw/zinc/28/43/05/801284305.db2.gz SFHKTUBXOSJWAV-MRVPVSSYSA-N 1 2 340.181 2.337 10 5 EEBELO O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccn2cc[nH+]c2c1 ZINC001129482369 810863325 /nfs/dbraw/zinc/86/33/25/810863325.db2.gz UVBFBXKYRLTHHJ-UHFFFAOYSA-N 1 2 330.275 2.399 10 5 EEBELO CC(C)COC1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001566133564 1125586655 /nfs/dbraw/zinc/58/66/55/1125586655.db2.gz LGLGRBZHZQAWBY-UHFFFAOYSA-N 1 2 344.371 2.278 10 5 EEBELO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC001473782990 1110580640 /nfs/dbraw/zinc/58/06/40/1110580640.db2.gz DCDLAOKYABBPDJ-RKDXNWHRSA-N 1 2 329.320 2.175 10 5 EEBELO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c[nH+]1 ZINC001536109701 1123651120 /nfs/dbraw/zinc/65/11/20/1123651120.db2.gz MNAKEZKKNGGEAW-UHFFFAOYSA-N 1 2 330.300 2.445 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cc1)[C@H](O)Nc1ccc2ccc[nH+]c2c1O ZINC000031573217 201388613 /nfs/dbraw/zinc/38/86/13/201388613.db2.gz NFQDUEXUKGEWCW-KRWDZBQOSA-N 1 2 339.307 2.462 10 5 EEBELO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000255005303 160396451 /nfs/dbraw/zinc/39/64/51/160396451.db2.gz VRQMQPCCQQYHOA-UYZDIKGJSA-N 1 2 328.372 2.206 10 5 EEBELO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000255005303 160396452 /nfs/dbraw/zinc/39/64/52/160396452.db2.gz VRQMQPCCQQYHOA-UYZDIKGJSA-N 1 2 328.372 2.206 10 5 EEBELO COc1cc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000352541530 162178950 /nfs/dbraw/zinc/17/89/50/162178950.db2.gz YXGMLUHOZLNEDV-MRXNPFEDSA-N 1 2 349.431 2.290 10 5 EEBELO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272288520 274167207 /nfs/dbraw/zinc/16/72/07/274167207.db2.gz DZNAINDVCATFEB-WFASDCNBSA-N 1 2 335.404 2.262 10 5 EEBELO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000272288520 274167209 /nfs/dbraw/zinc/16/72/09/274167209.db2.gz DZNAINDVCATFEB-WFASDCNBSA-N 1 2 335.404 2.262 10 5 EEBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000425430501 314392607 /nfs/dbraw/zinc/39/26/07/314392607.db2.gz FRBPCHIRAQEPFE-LBPRGKRZSA-N 1 2 327.178 2.314 10 5 EEBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000425430501 314392609 /nfs/dbraw/zinc/39/26/09/314392609.db2.gz FRBPCHIRAQEPFE-LBPRGKRZSA-N 1 2 327.178 2.314 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCSCC1 ZINC000448718793 315380939 /nfs/dbraw/zinc/38/09/39/315380939.db2.gz BEVPLTTWDZHPHO-UHFFFAOYSA-N 1 2 332.385 2.360 10 5 EEBELO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000567451688 319380152 /nfs/dbraw/zinc/38/01/52/319380152.db2.gz FTRZSNFKXYXAIN-LBPRGKRZSA-N 1 2 331.376 2.096 10 5 EEBELO Cc1c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000567451688 319380154 /nfs/dbraw/zinc/38/01/54/319380154.db2.gz FTRZSNFKXYXAIN-LBPRGKRZSA-N 1 2 331.376 2.096 10 5 EEBELO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000577809635 320276146 /nfs/dbraw/zinc/27/61/46/320276146.db2.gz ZXOCRNBKKXOMBH-UHFFFAOYSA-N 1 2 331.376 2.301 10 5 EEBELO COc1cc(C[NH+]2CCC(N3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000581437358 324254342 /nfs/dbraw/zinc/25/43/42/324254342.db2.gz JKLZQJZHNRSIDO-CQSZACIVSA-N 1 2 349.431 2.289 10 5 EEBELO Cc1ncsc1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000095982855 463126934 /nfs/dbraw/zinc/12/69/34/463126934.db2.gz RHQXXYRMJLEJLB-UHFFFAOYSA-N 1 2 346.412 2.318 10 5 EEBELO Cc1cc(NCCc2nnc[nH]2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000079106204 463189902 /nfs/dbraw/zinc/18/99/02/463189902.db2.gz DQQNPBYNEJWLIL-UHFFFAOYSA-N 1 2 325.332 2.133 10 5 EEBELO Cc1nn(C)c(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000069654096 463295111 /nfs/dbraw/zinc/29/51/11/463295111.db2.gz BYMTZLRAOFGZJL-HNNXBMFYSA-N 1 2 345.403 2.122 10 5 EEBELO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000170688440 463696138 /nfs/dbraw/zinc/69/61/38/463696138.db2.gz LMIQUJHGSGZYGX-LLVKDONJSA-N 1 2 327.768 2.298 10 5 EEBELO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000170688440 463696139 /nfs/dbraw/zinc/69/61/39/463696139.db2.gz LMIQUJHGSGZYGX-LLVKDONJSA-N 1 2 327.768 2.298 10 5 EEBELO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000348688775 465744747 /nfs/dbraw/zinc/74/47/47/465744747.db2.gz RLHLCWVKXFDLIE-UHFFFAOYSA-N 1 2 329.356 2.292 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357342900 465964954 /nfs/dbraw/zinc/96/49/54/465964954.db2.gz YNHSKMDBUCIHIN-UHFFFAOYSA-N 1 2 326.360 3.003 10 5 EEBELO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000569355391 468478817 /nfs/dbraw/zinc/47/88/17/468478817.db2.gz KMZCUQIRYGVXDK-UHFFFAOYSA-N 1 2 349.366 2.399 10 5 EEBELO Cc1ccc(N[C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c([N+](=O)[O-])c1 ZINC000340793065 466340303 /nfs/dbraw/zinc/34/03/03/466340303.db2.gz ZJWPVPCCTBFSMD-AWEZNQCLSA-N 1 2 343.387 2.240 10 5 EEBELO C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367661707 466478288 /nfs/dbraw/zinc/47/82/88/466478288.db2.gz MHVVSZWTFVKGDP-JTQLQIEISA-N 1 2 327.768 2.298 10 5 EEBELO C[C@H]1CCOCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000367661707 466478293 /nfs/dbraw/zinc/47/82/93/466478293.db2.gz MHVVSZWTFVKGDP-JTQLQIEISA-N 1 2 327.768 2.298 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000338942204 466507780 /nfs/dbraw/zinc/50/77/80/466507780.db2.gz GASZYMBXTFQDOG-UHFFFAOYSA-N 1 2 328.372 2.747 10 5 EEBELO C[N@@H+]1CCO[C@H](CSc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000400795004 467459243 /nfs/dbraw/zinc/45/92/43/467459243.db2.gz AXCNZURAFFXCOB-VIFPVBQESA-N 1 2 348.222 2.175 10 5 EEBELO C[N@H+]1CCO[C@H](CSc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000400795004 467459248 /nfs/dbraw/zinc/45/92/48/467459248.db2.gz AXCNZURAFFXCOB-VIFPVBQESA-N 1 2 348.222 2.175 10 5 EEBELO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000598220002 468796621 /nfs/dbraw/zinc/79/66/21/468796621.db2.gz NFBADFKWQGCUNA-LBPRGKRZSA-N 1 2 333.388 2.437 10 5 EEBELO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000598220002 468796624 /nfs/dbraw/zinc/79/66/24/468796624.db2.gz NFBADFKWQGCUNA-LBPRGKRZSA-N 1 2 333.388 2.437 10 5 EEBELO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000598942504 469059458 /nfs/dbraw/zinc/05/94/58/469059458.db2.gz BVGNUGYBRWSWSZ-VIFPVBQESA-N 1 2 340.261 2.165 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975222 469121700 /nfs/dbraw/zinc/12/17/00/469121700.db2.gz MLEXCLVGVCYGOS-MFKMUULPSA-N 1 2 343.330 2.278 10 5 EEBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975222 469121708 /nfs/dbraw/zinc/12/17/08/469121708.db2.gz MLEXCLVGVCYGOS-MFKMUULPSA-N 1 2 343.330 2.278 10 5 EEBELO COC(=O)c1c(Cl)c(N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596061502 469134308 /nfs/dbraw/zinc/13/43/08/469134308.db2.gz KTVLXJQAAVJNRM-UHFFFAOYSA-N 1 2 338.751 2.405 10 5 EEBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602925040 469167733 /nfs/dbraw/zinc/16/77/33/469167733.db2.gz URGWHWMEHGJYKU-IAGOWNOFSA-N 1 2 332.331 2.358 10 5 EEBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602925040 469167739 /nfs/dbraw/zinc/16/77/39/469167739.db2.gz URGWHWMEHGJYKU-IAGOWNOFSA-N 1 2 332.331 2.358 10 5 EEBELO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596308146 469239061 /nfs/dbraw/zinc/23/90/61/469239061.db2.gz FPNFMFRIOHFARK-GFCCVEGCSA-N 1 2 341.433 2.283 10 5 EEBELO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000596308146 469239064 /nfs/dbraw/zinc/23/90/64/469239064.db2.gz FPNFMFRIOHFARK-GFCCVEGCSA-N 1 2 341.433 2.283 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)c1c[nH]c3cccc([N+](=O)[O-])c13)CC2 ZINC000611892898 469341610 /nfs/dbraw/zinc/34/16/10/469341610.db2.gz CFUFZGBYOCCVQA-UHFFFAOYSA-N 1 2 325.328 2.237 10 5 EEBELO O=C(NCCCCn1cc[nH+]c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604546812 469489901 /nfs/dbraw/zinc/48/99/01/469489901.db2.gz GHQLOPNAYKLDHT-UHFFFAOYSA-N 1 2 327.344 2.483 10 5 EEBELO Cc1c(CNC(=O)Nc2cc[nH+]cc2N(C)C)cccc1[N+](=O)[O-] ZINC000619808089 469684808 /nfs/dbraw/zinc/68/48/08/469684808.db2.gz DFOPZAPMYNJFGF-UHFFFAOYSA-N 1 2 329.360 2.108 10 5 EEBELO Cc1nc([C@](C)([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000814670634 1199669934 /nfs/dbraw/zinc/66/99/34/1199669934.db2.gz BJFAOWMSEIWSRK-GOEBONIOSA-N 1 2 332.360 2.235 10 5 EEBELO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000852778050 1292195322 /nfs/dbraw/zinc/19/53/22/1292195322.db2.gz DPFPHYJSKKMCJK-DGFSRKRXSA-N 1 2 330.331 2.373 10 5 EEBELO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000852778050 1292195327 /nfs/dbraw/zinc/19/53/27/1292195327.db2.gz DPFPHYJSKKMCJK-DGFSRKRXSA-N 1 2 330.331 2.373 10 5 EEBELO Cc1nn(C[N@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000842618197 1315733854 /nfs/dbraw/zinc/73/38/54/1315733854.db2.gz WPPAGYOVMBBGDU-WCQYABFASA-N 1 2 338.408 2.357 10 5 EEBELO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000842618197 1315733856 /nfs/dbraw/zinc/73/38/56/1315733856.db2.gz WPPAGYOVMBBGDU-WCQYABFASA-N 1 2 338.408 2.357 10 5 EEBELO O=C(NOCC(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001294602646 1329092245 /nfs/dbraw/zinc/09/22/45/1329092245.db2.gz IPWINIKRYGYUQV-UHFFFAOYSA-N 1 2 330.222 2.004 10 5 EEBELO C/C(=C/C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC001331914317 1335673626 /nfs/dbraw/zinc/67/36/26/1335673626.db2.gz DMJNBQKBGKEWRI-OWBHPGMISA-N 1 2 347.415 2.225 10 5 EEBELO Cc1cccnc1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001585594545 1348807671 /nfs/dbraw/zinc/80/76/71/1348807671.db2.gz LOIOWZIGSORZIB-UHFFFAOYSA-N 1 2 337.339 2.414 10 5 EEBELO C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001624842795 1352432582 /nfs/dbraw/zinc/43/25/82/1352432582.db2.gz WRAIPMQNOHSBGF-OAHLLOKOSA-N 1 2 329.360 2.015 10 5 EEBELO C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2ccccc2[N+](=O)[O-])[nH]n1 ZINC001624842795 1352432586 /nfs/dbraw/zinc/43/25/86/1352432586.db2.gz WRAIPMQNOHSBGF-OAHLLOKOSA-N 1 2 329.360 2.015 10 5 EEBELO Cc1nc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)no1 ZINC001660133195 1354402234 /nfs/dbraw/zinc/40/22/34/1354402234.db2.gz HTAKYQHWYDXZBB-NSHDSACASA-N 1 2 333.304 2.184 10 5 EEBELO Cc1nc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)no1 ZINC001660133195 1354402235 /nfs/dbraw/zinc/40/22/35/1354402235.db2.gz HTAKYQHWYDXZBB-NSHDSACASA-N 1 2 333.304 2.184 10 5 EEBELO C[C@@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001147456545 791843409 /nfs/dbraw/zinc/84/34/09/791843409.db2.gz URBQWYZVKGGHHL-NSHDSACASA-N 1 2 336.779 2.440 10 5 EEBELO COC(=O)/C(C)=C/COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676218 806539625 /nfs/dbraw/zinc/53/96/25/806539625.db2.gz CDOXMXPYIBVCHX-VZUCSPMQSA-N 1 2 345.311 2.057 10 5 EEBELO COC(=O)[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000917479602 798235057 /nfs/dbraw/zinc/23/50/57/798235057.db2.gz FMGHDZOCQGVDQG-VIFPVBQESA-N 1 2 337.357 2.324 10 5 EEBELO COC(=O)[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000917479602 798235060 /nfs/dbraw/zinc/23/50/60/798235060.db2.gz FMGHDZOCQGVDQG-VIFPVBQESA-N 1 2 337.357 2.324 10 5 EEBELO C[NH+](C)Cc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)co1 ZINC001179128503 799792038 /nfs/dbraw/zinc/79/20/38/799792038.db2.gz WVAPXBNSMOQUJB-UHFFFAOYSA-N 1 2 338.751 2.228 10 5 EEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000804333978 803922780 /nfs/dbraw/zinc/92/27/80/803922780.db2.gz USGCVOKVZHYFMU-BCNIOPEESA-N 1 2 326.356 2.326 10 5 EEBELO COc1nscc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001455350011 1108465691 /nfs/dbraw/zinc/46/56/91/1108465691.db2.gz AJUVWPQGNAXHJP-UHFFFAOYSA-N 1 2 345.340 2.498 10 5 EEBELO Cc1[nH]c(C2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)[nH+]c1C ZINC001455865690 1108956197 /nfs/dbraw/zinc/95/61/97/1108956197.db2.gz KDYLPWDRQNNJAE-UHFFFAOYSA-N 1 2 345.359 2.055 10 5 EEBELO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nc2c(s1)CCCC2 ZINC000159866530 206266206 /nfs/dbraw/zinc/26/62/06/206266206.db2.gz XVBXIMUTCNDOCH-UHFFFAOYSA-N 1 2 348.428 2.224 10 5 EEBELO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1nc2c(s1)CCCC2 ZINC000159866530 206266210 /nfs/dbraw/zinc/26/62/10/206266210.db2.gz XVBXIMUTCNDOCH-UHFFFAOYSA-N 1 2 348.428 2.224 10 5 EEBELO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266780237 248447452 /nfs/dbraw/zinc/44/74/52/248447452.db2.gz LFJLFRQWHYKQSY-UHFFFAOYSA-N 1 2 343.387 2.450 10 5 EEBELO CCOc1cc(C[NH+]2CCN(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC000276856121 256474286 /nfs/dbraw/zinc/47/42/86/256474286.db2.gz FRKJZGGPEXECSW-UHFFFAOYSA-N 1 2 343.387 2.106 10 5 EEBELO CC(C)c1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000457035103 278000487 /nfs/dbraw/zinc/00/04/87/278000487.db2.gz WHARMCOLALECLK-CYBMUJFWSA-N 1 2 343.387 2.228 10 5 EEBELO CC(C)c1[nH]nc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000457035103 278000488 /nfs/dbraw/zinc/00/04/88/278000488.db2.gz WHARMCOLALECLK-CYBMUJFWSA-N 1 2 343.387 2.228 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107779011 304529335 /nfs/dbraw/zinc/52/93/35/304529335.db2.gz UULVWLJZTXJXLH-AWEZNQCLSA-N 1 2 333.388 2.391 10 5 EEBELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444580261 315309010 /nfs/dbraw/zinc/30/90/10/315309010.db2.gz CECQZOBEEFIOBH-HNNXBMFYSA-N 1 2 345.403 2.304 10 5 EEBELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444580261 315309013 /nfs/dbraw/zinc/30/90/13/315309013.db2.gz CECQZOBEEFIOBH-HNNXBMFYSA-N 1 2 345.403 2.304 10 5 EEBELO COc1cccc(OCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347801599 465235627 /nfs/dbraw/zinc/23/56/27/465235627.db2.gz VOTKLIRYGNTDPV-UHFFFAOYSA-N 1 2 329.356 2.436 10 5 EEBELO COc1cccc(OCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347801599 465235632 /nfs/dbraw/zinc/23/56/32/465235632.db2.gz VOTKLIRYGNTDPV-UHFFFAOYSA-N 1 2 329.356 2.436 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(CC(F)C2)C1 ZINC000590684042 468305471 /nfs/dbraw/zinc/30/54/71/468305471.db2.gz PZHNJLQZSDNPCN-UHFFFAOYSA-N 1 2 330.319 2.355 10 5 EEBELO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053431976 463160847 /nfs/dbraw/zinc/16/08/47/463160847.db2.gz NXLVACLZAOABNW-HNNXBMFYSA-N 1 2 348.447 2.142 10 5 EEBELO CCN(CC)C(=O)CN1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053431976 463160853 /nfs/dbraw/zinc/16/08/53/463160853.db2.gz NXLVACLZAOABNW-HNNXBMFYSA-N 1 2 348.447 2.142 10 5 EEBELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000070693698 463378979 /nfs/dbraw/zinc/37/89/79/463378979.db2.gz FRQYSADRQCUVDP-IRXDYDNUSA-N 1 2 345.399 2.127 10 5 EEBELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000070693698 463378985 /nfs/dbraw/zinc/37/89/85/463378985.db2.gz FRQYSADRQCUVDP-IRXDYDNUSA-N 1 2 345.399 2.127 10 5 EEBELO CC[N@H+](CCCNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000124624217 463444659 /nfs/dbraw/zinc/44/46/59/463444659.db2.gz QNWIMVGWOOCFBN-UHFFFAOYSA-N 1 2 343.387 2.417 10 5 EEBELO CC[N@@H+](CCCNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1 ZINC000124624217 463444664 /nfs/dbraw/zinc/44/46/64/463444664.db2.gz QNWIMVGWOOCFBN-UHFFFAOYSA-N 1 2 343.387 2.417 10 5 EEBELO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162446616 463511119 /nfs/dbraw/zinc/51/11/19/463511119.db2.gz IPUUBAGXGCFJFI-SNVBAGLBSA-N 1 2 343.177 2.352 10 5 EEBELO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162446616 463511124 /nfs/dbraw/zinc/51/11/24/463511124.db2.gz IPUUBAGXGCFJFI-SNVBAGLBSA-N 1 2 343.177 2.352 10 5 EEBELO O=c1[nH]ccc2c1C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000276862949 463786666 /nfs/dbraw/zinc/78/66/66/463786666.db2.gz BKBSSSNVHVGBGG-UHFFFAOYSA-N 1 2 326.312 2.395 10 5 EEBELO O=c1[nH]ccc2c1C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000276862949 463786671 /nfs/dbraw/zinc/78/66/71/463786671.db2.gz BKBSSSNVHVGBGG-UHFFFAOYSA-N 1 2 326.312 2.395 10 5 EEBELO Cc1ccc(NCC(C)(C)[NH+]2CCS(=O)CC2)c([N+](=O)[O-])c1 ZINC000269574282 464024347 /nfs/dbraw/zinc/02/43/47/464024347.db2.gz NPIRVGPCQMOHKO-UHFFFAOYSA-N 1 2 325.434 2.158 10 5 EEBELO COc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000268169991 464955384 /nfs/dbraw/zinc/95/53/84/464955384.db2.gz IWYJZEQXVAGBPC-GHMZBOCLSA-N 1 2 327.356 2.264 10 5 EEBELO C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000371822749 466017779 /nfs/dbraw/zinc/01/77/79/466017779.db2.gz NIJPKPFNALZJNX-NXEZZACHSA-N 1 2 332.335 2.234 10 5 EEBELO C[C@@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000371822749 466017784 /nfs/dbraw/zinc/01/77/84/466017784.db2.gz NIJPKPFNALZJNX-NXEZZACHSA-N 1 2 332.335 2.234 10 5 EEBELO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000361527985 466077271 /nfs/dbraw/zinc/07/72/71/466077271.db2.gz UFYNWYSSOFRYTB-UHFFFAOYSA-N 1 2 347.371 2.238 10 5 EEBELO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000361527985 466077276 /nfs/dbraw/zinc/07/72/76/466077276.db2.gz UFYNWYSSOFRYTB-UHFFFAOYSA-N 1 2 347.371 2.238 10 5 EEBELO C[C@@]1(C2CC2)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000597179178 468473196 /nfs/dbraw/zinc/47/31/96/468473196.db2.gz HDNBJPHKLWRODD-KRWDZBQOSA-N 1 2 334.372 2.367 10 5 EEBELO C[C@@]1(C2CC2)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000597179178 468473199 /nfs/dbraw/zinc/47/31/99/468473199.db2.gz HDNBJPHKLWRODD-KRWDZBQOSA-N 1 2 334.372 2.367 10 5 EEBELO CN(C)c1[nH+]cccc1CNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601104454 468742384 /nfs/dbraw/zinc/74/23/84/468742384.db2.gz XWQGPSJFLIDJEV-UHFFFAOYSA-N 1 2 344.297 2.420 10 5 EEBELO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000601111769 468745856 /nfs/dbraw/zinc/74/58/56/468745856.db2.gz WBFIBASPFYFLHR-UHFFFAOYSA-N 1 2 332.335 2.157 10 5 EEBELO Cn1c[nH+]cc1CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601424627 468867876 /nfs/dbraw/zinc/86/78/76/468867876.db2.gz BEDYEZBSULMBQZ-UHFFFAOYSA-N 1 2 328.372 2.109 10 5 EEBELO CN(C(=O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595625078 468928641 /nfs/dbraw/zinc/92/86/41/468928641.db2.gz KOOCVAIJMYKUSS-QGZVFWFLSA-N 1 2 333.388 2.059 10 5 EEBELO CN(C(=O)C[N@H+]1CCO[C@@](C)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595625078 468928644 /nfs/dbraw/zinc/92/86/44/468928644.db2.gz KOOCVAIJMYKUSS-QGZVFWFLSA-N 1 2 333.388 2.059 10 5 EEBELO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cscn1 ZINC000595668711 468946354 /nfs/dbraw/zinc/94/63/54/468946354.db2.gz OSTOBHCBAQOLHX-JTQLQIEISA-N 1 2 332.385 2.291 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000601969888 469118603 /nfs/dbraw/zinc/11/86/03/469118603.db2.gz GHCYHQBVIUABCQ-CYBMUJFWSA-N 1 2 344.314 2.237 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000601969888 469118606 /nfs/dbraw/zinc/11/86/06/469118606.db2.gz GHCYHQBVIUABCQ-CYBMUJFWSA-N 1 2 344.314 2.237 10 5 EEBELO COC(=O)c1ccnc(N2CC[C@@H](c3cc(C)cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000599102835 469120610 /nfs/dbraw/zinc/12/06/10/469120610.db2.gz VGDXFPDUPSBUQL-GFCCVEGCSA-N 1 2 342.355 2.474 10 5 EEBELO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000599139806 469134162 /nfs/dbraw/zinc/13/41/62/469134162.db2.gz QCFYVUBCNDPYJS-CQSZACIVSA-N 1 2 328.372 2.021 10 5 EEBELO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000596493793 469283320 /nfs/dbraw/zinc/28/33/20/469283320.db2.gz KINJBRRAXYKTLF-CABCVRRESA-N 1 2 349.431 2.431 10 5 EEBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599543555 469287538 /nfs/dbraw/zinc/28/75/38/469287538.db2.gz RAZHGRUJRRTWQV-AWEZNQCLSA-N 1 2 336.388 2.054 10 5 EEBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599543555 469287543 /nfs/dbraw/zinc/28/75/43/469287543.db2.gz RAZHGRUJRRTWQV-AWEZNQCLSA-N 1 2 336.388 2.054 10 5 EEBELO COc1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])cc1F ZINC000184208127 533808990 /nfs/dbraw/zinc/80/89/90/533808990.db2.gz CUGBQDXFFUKDPG-LBPRGKRZSA-N 1 2 335.339 2.171 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)c([N+](=O)[O-])cc1F ZINC000184208127 533808994 /nfs/dbraw/zinc/80/89/94/533808994.db2.gz CUGBQDXFFUKDPG-LBPRGKRZSA-N 1 2 335.339 2.171 10 5 EEBELO Cc1c(C(=O)NCc2nc(C[NH+](C)C)cs2)cccc1[N+](=O)[O-] ZINC000927774494 1206301402 /nfs/dbraw/zinc/30/14/02/1206301402.db2.gz MLKQOYQZUKUIRI-UHFFFAOYSA-N 1 2 334.401 2.351 10 5 EEBELO CC[C@H](C[C@@H](C)O)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001649147363 1278330444 /nfs/dbraw/zinc/33/04/44/1278330444.db2.gz NZRPACITKCSIST-DGCLKSJQSA-N 1 2 332.360 2.060 10 5 EEBELO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000857921985 1293954009 /nfs/dbraw/zinc/95/40/09/1293954009.db2.gz UCJPUHJPMPLSGM-YVEFUNNKSA-N 1 2 341.367 2.471 10 5 EEBELO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000857921985 1293954012 /nfs/dbraw/zinc/95/40/12/1293954012.db2.gz UCJPUHJPMPLSGM-YVEFUNNKSA-N 1 2 341.367 2.471 10 5 EEBELO COc1ncccc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001125089300 1310984674 /nfs/dbraw/zinc/98/46/74/1310984674.db2.gz SNVMBCAVIGGCJB-UHFFFAOYSA-N 1 2 339.311 2.436 10 5 EEBELO C[C@H]1CSCC[N@@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480981 1338705990 /nfs/dbraw/zinc/70/59/90/1338705990.db2.gz WCMSIXNJBHWSCX-WFASDCNBSA-N 1 2 335.429 2.306 10 5 EEBELO C[C@H]1CSCC[N@H+]1CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848480981 1338705992 /nfs/dbraw/zinc/70/59/92/1338705992.db2.gz WCMSIXNJBHWSCX-WFASDCNBSA-N 1 2 335.429 2.306 10 5 EEBELO COc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC001559099996 1342497723 /nfs/dbraw/zinc/49/77/23/1342497723.db2.gz 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/nfs/dbraw/zinc/34/03/32/693340332.db2.gz HYWPGTUKEJOEGN-LBPRGKRZSA-N 1 2 346.362 2.307 10 5 EEBELO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898496056 693340616 /nfs/dbraw/zinc/34/06/16/693340616.db2.gz QLMDBIXFAMQXKW-CQSZACIVSA-N 1 2 337.395 2.423 10 5 EEBELO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000898496056 693340618 /nfs/dbraw/zinc/34/06/18/693340618.db2.gz QLMDBIXFAMQXKW-CQSZACIVSA-N 1 2 337.395 2.423 10 5 EEBELO CC[N@H+](CCNC(=O)c1ccnc(C)n1)Cc1csc([N+](=O)[O-])c1 ZINC001266437898 1176534852 /nfs/dbraw/zinc/53/48/52/1176534852.db2.gz PSDBMKIBMDZODG-UHFFFAOYSA-N 1 2 349.416 2.007 10 5 EEBELO CC[N@@H+](CCNC(=O)c1ccnc(C)n1)Cc1csc([N+](=O)[O-])c1 ZINC001266437898 1176534859 /nfs/dbraw/zinc/53/48/59/1176534859.db2.gz PSDBMKIBMDZODG-UHFFFAOYSA-N 1 2 349.416 2.007 10 5 EEBELO CCc1nc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)co1 ZINC001272950297 1194113982 /nfs/dbraw/zinc/11/39/82/1194113982.db2.gz MSWXHGUCPPUDRS-UHFFFAOYSA-N 1 2 341.327 2.261 10 5 EEBELO COc1cncc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000931205162 1206615221 /nfs/dbraw/zinc/61/52/21/1206615221.db2.gz CGNXTOMLCRROGF-UHFFFAOYSA-N 1 2 328.372 2.321 10 5 EEBELO C[N@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@@H](C(F)F)CC1=O ZINC000795644174 1214575315 /nfs/dbraw/zinc/57/53/15/1214575315.db2.gz JFIPBARQPNATRI-LBPRGKRZSA-N 1 2 327.331 2.140 10 5 EEBELO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CN1C[C@@H](C(F)F)CC1=O ZINC000795644174 1214575320 /nfs/dbraw/zinc/57/53/20/1214575320.db2.gz JFIPBARQPNATRI-LBPRGKRZSA-N 1 2 327.331 2.140 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)n1 ZINC001303609426 1331362214 /nfs/dbraw/zinc/36/22/14/1331362214.db2.gz TYBWSTGNDLSCDO-NSHDSACASA-N 1 2 332.364 2.128 10 5 EEBELO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C/C(Cl)=C\Cl ZINC001317686018 1332372586 /nfs/dbraw/zinc/37/25/86/1332372586.db2.gz HZUSUZQXBPYIIK-SXSOHVCJSA-N 1 2 338.235 2.187 10 5 EEBELO CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C/C(Cl)=C\Cl ZINC001317686018 1332372590 /nfs/dbraw/zinc/37/25/90/1332372590.db2.gz HZUSUZQXBPYIIK-SXSOHVCJSA-N 1 2 338.235 2.187 10 5 EEBELO CN(C)c1[nH+]cc(Cn2nc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC001613817548 1352315917 /nfs/dbraw/zinc/31/59/17/1352315917.db2.gz LFURLDAPZUFVAJ-UHFFFAOYSA-N 1 2 342.315 2.362 10 5 EEBELO CN(CCCNC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001650905536 1354033152 /nfs/dbraw/zinc/03/31/52/1354033152.db2.gz DXBWNIDIQJYAJC-UHFFFAOYSA-N 1 2 332.335 2.385 10 5 EEBELO CC(C)c1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[nH+]1 ZINC001652743550 1354101101 /nfs/dbraw/zinc/10/11/01/1354101101.db2.gz OYBZJGTTYUKNPZ-UHFFFAOYSA-N 1 2 346.343 2.143 10 5 EEBELO CC(C)c1[nH]c(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c[nH+]1 ZINC001652743550 1354101103 /nfs/dbraw/zinc/10/11/03/1354101103.db2.gz OYBZJGTTYUKNPZ-UHFFFAOYSA-N 1 2 346.343 2.143 10 5 EEBELO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655696200 1354182150 /nfs/dbraw/zinc/18/21/50/1354182150.db2.gz XNWOOWRUJVFJAK-LERXQTSPSA-N 1 2 348.359 2.099 10 5 EEBELO COC(=O)/C=C\c1ccc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000840326284 782534990 /nfs/dbraw/zinc/53/49/90/782534990.db2.gz BXXRNPPMKSKRJP-XQRVVYSFSA-N 1 2 330.344 2.169 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908281379 785296015 /nfs/dbraw/zinc/29/60/15/785296015.db2.gz RVNXNKVMHPBGRD-RAXLEYEMSA-N 1 2 349.387 2.211 10 5 EEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000054710434 214253081 /nfs/dbraw/zinc/25/30/81/214253081.db2.gz VBGDALDVDUPJKG-UHFFFAOYSA-N 1 2 341.302 2.245 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000427116649 241379739 /nfs/dbraw/zinc/37/97/39/241379739.db2.gz HVBVGUFLXHNATR-UHFFFAOYSA-N 1 2 326.316 2.249 10 5 EEBELO C[C@H]1COCC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809625 242320172 /nfs/dbraw/zinc/32/01/72/242320172.db2.gz BAZBCHIMBWCMTI-DZGCQCFKSA-N 1 2 335.404 2.264 10 5 EEBELO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCOC1 ZINC000451914230 243312450 /nfs/dbraw/zinc/31/24/50/243312450.db2.gz RTHDQXHPFKFTNF-CYBMUJFWSA-N 1 2 330.344 2.032 10 5 EEBELO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000270861349 256180881 /nfs/dbraw/zinc/18/08/81/256180881.db2.gz JXFJVQMSLLCHPV-HIFRSBDPSA-N 1 2 343.374 2.290 10 5 EEBELO CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000270861349 256180882 /nfs/dbraw/zinc/18/08/82/256180882.db2.gz JXFJVQMSLLCHPV-HIFRSBDPSA-N 1 2 343.374 2.290 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000248864575 160364948 /nfs/dbraw/zinc/36/49/48/160364948.db2.gz SQQBGSHWGXLBLV-WPGHFRTFSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000248864575 160364950 /nfs/dbraw/zinc/36/49/50/160364950.db2.gz SQQBGSHWGXLBLV-WPGHFRTFSA-N 1 2 334.372 2.377 10 5 EEBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185197426 160030965 /nfs/dbraw/zinc/03/09/65/160030965.db2.gz JTXXJVSNLMPMJE-KRWDZBQOSA-N 1 2 336.388 2.373 10 5 EEBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185197426 160030969 /nfs/dbraw/zinc/03/09/69/160030969.db2.gz JTXXJVSNLMPMJE-KRWDZBQOSA-N 1 2 336.388 2.373 10 5 EEBELO C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000376059751 167253401 /nfs/dbraw/zinc/25/34/01/167253401.db2.gz SNBRVRVSRHYOHC-IAQYHMDHSA-N 1 2 330.344 2.220 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000131062038 462790463 /nfs/dbraw/zinc/79/04/63/462790463.db2.gz HNANPPHSHUCNPC-UHFFFAOYSA-N 1 2 332.360 2.143 10 5 EEBELO CC(C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000095404847 463076742 /nfs/dbraw/zinc/07/67/42/463076742.db2.gz PMWBDPQCBORKRW-LSDHHAIUSA-N 1 2 348.447 2.187 10 5 EEBELO CC(C)NC(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000095404847 463076747 /nfs/dbraw/zinc/07/67/47/463076747.db2.gz PMWBDPQCBORKRW-LSDHHAIUSA-N 1 2 348.447 2.187 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285436844 464564199 /nfs/dbraw/zinc/56/41/99/464564199.db2.gz XFSJIYQMVBUHJO-QGZVFWFLSA-N 1 2 336.388 2.375 10 5 EEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285436844 464564204 /nfs/dbraw/zinc/56/42/04/464564204.db2.gz XFSJIYQMVBUHJO-QGZVFWFLSA-N 1 2 336.388 2.375 10 5 EEBELO C[NH+](C)CCOc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000351876654 465412030 /nfs/dbraw/zinc/41/20/30/465412030.db2.gz LIGAATQDFOTJOJ-UHFFFAOYSA-N 1 2 345.355 2.493 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000591263132 468434733 /nfs/dbraw/zinc/43/47/33/468434733.db2.gz PNXGVUMWFPULCH-MRXNPFEDSA-N 1 2 334.372 2.382 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000591263132 468434735 /nfs/dbraw/zinc/43/47/35/468434735.db2.gz PNXGVUMWFPULCH-MRXNPFEDSA-N 1 2 334.372 2.382 10 5 EEBELO C[C@]1(C2CC2)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000597179179 468473029 /nfs/dbraw/zinc/47/30/29/468473029.db2.gz HDNBJPHKLWRODD-QGZVFWFLSA-N 1 2 334.372 2.367 10 5 EEBELO C[C@]1(C2CC2)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000597179179 468473033 /nfs/dbraw/zinc/47/30/33/468473033.db2.gz HDNBJPHKLWRODD-QGZVFWFLSA-N 1 2 334.372 2.367 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099225 468484488 /nfs/dbraw/zinc/48/44/88/468484488.db2.gz ONWSDBSSRIDSGT-SOUVJXGZSA-N 1 2 349.431 2.439 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099225 468484490 /nfs/dbraw/zinc/48/44/90/468484490.db2.gz ONWSDBSSRIDSGT-SOUVJXGZSA-N 1 2 349.431 2.439 10 5 EEBELO Cc1nc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCCCCC2)no1 ZINC000358235757 466562615 /nfs/dbraw/zinc/56/26/15/466562615.db2.gz NRAKPMRKVWCKHO-UHFFFAOYSA-N 1 2 334.380 2.322 10 5 EEBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)[C@H](C)O1 ZINC000450999370 467223603 /nfs/dbraw/zinc/22/36/03/467223603.db2.gz CGTBFBOZFAHDJD-AGIUHOORSA-N 1 2 344.371 2.418 10 5 EEBELO C[C@@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449935948 467747102 /nfs/dbraw/zinc/74/71/02/467747102.db2.gz AQUCSQRSDPXKFP-GFCCVEGCSA-N 1 2 344.371 2.014 10 5 EEBELO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000530960493 468020347 /nfs/dbraw/zinc/02/03/47/468020347.db2.gz CUQWQKYGLSAASF-UHFFFAOYSA-N 1 2 344.327 2.066 10 5 EEBELO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000530960493 468020350 /nfs/dbraw/zinc/02/03/50/468020350.db2.gz CUQWQKYGLSAASF-UHFFFAOYSA-N 1 2 344.327 2.066 10 5 EEBELO COCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000490104543 468195947 /nfs/dbraw/zinc/19/59/47/468195947.db2.gz WGOPDQRXWIEXQI-INIZCTEOSA-N 1 2 347.371 2.487 10 5 EEBELO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 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C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC001152052017 1316626420 /nfs/dbraw/zinc/62/64/20/1316626420.db2.gz CBMZSUIKPIVELE-HNNXBMFYSA-N 1 2 326.356 2.094 10 5 EEBELO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC001152052017 1316626423 /nfs/dbraw/zinc/62/64/23/1316626423.db2.gz CBMZSUIKPIVELE-HNNXBMFYSA-N 1 2 326.356 2.094 10 5 EEBELO CN(C)c1[nH+]ccc2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)ccc21 ZINC001624434460 1352421096 /nfs/dbraw/zinc/42/10/96/1352421096.db2.gz RTCUIOBVCUOPFE-UHFFFAOYSA-N 1 2 326.316 2.184 10 5 EEBELO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001625506619 1352450425 /nfs/dbraw/zinc/45/04/25/1352450425.db2.gz IDJRHKYAOCHPIH-FRRDWIJNSA-N 1 2 335.404 2.397 10 5 EEBELO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001625506619 1352450426 /nfs/dbraw/zinc/45/04/26/1352450426.db2.gz IDJRHKYAOCHPIH-FRRDWIJNSA-N 1 2 335.404 2.397 10 5 EEBELO CC(C)(C(=O)N1CCc2cc[nH+]c(N)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC001642211781 1352728840 /nfs/dbraw/zinc/72/88/40/1352728840.db2.gz DWBXMPALSOLQCO-UHFFFAOYSA-N 1 2 340.383 2.435 10 5 EEBELO Cc1conc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001645332984 1352776213 /nfs/dbraw/zinc/77/62/13/1352776213.db2.gz GTMFFUCDOPXBFY-UHFFFAOYSA-N 1 2 327.300 2.007 10 5 EEBELO Cc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c(N)c1[N+](=O)[O-] ZINC001648299216 1353422851 /nfs/dbraw/zinc/42/28/51/1353422851.db2.gz OOKKBYHYSGNWBQ-UHFFFAOYSA-N 1 2 329.360 2.199 10 5 EEBELO C[NH+](C)Cc1nc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)co1 ZINC001652765597 1354102308 /nfs/dbraw/zinc/10/23/08/1354102308.db2.gz AGNDEPHKXDYKNG-UHFFFAOYSA-N 1 2 346.387 2.238 10 5 EEBELO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001660661747 1354511919 /nfs/dbraw/zinc/51/19/19/1354511919.db2.gz FFAQINPWHKMIIH-KOLCDFICSA-N 1 2 349.214 2.324 10 5 EEBELO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001660661747 1354511921 /nfs/dbraw/zinc/51/19/21/1354511921.db2.gz FFAQINPWHKMIIH-KOLCDFICSA-N 1 2 349.214 2.324 10 5 EEBELO CC(C)[S@@](C)(=O)=NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001538329844 1124024728 /nfs/dbraw/zinc/02/47/28/1124024728.db2.gz WAKPUQHIYLMGLW-HSZRJFAPSA-N 1 2 336.373 2.427 10 5 EEBELO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000054991265 214262415 /nfs/dbraw/zinc/26/24/15/214262415.db2.gz XNLPMOHYPFZHIV-GFCCVEGCSA-N 1 2 331.294 2.238 10 5 EEBELO O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000054991265 214262417 /nfs/dbraw/zinc/26/24/17/214262417.db2.gz XNLPMOHYPFZHIV-GFCCVEGCSA-N 1 2 331.294 2.238 10 5 EEBELO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111318798 220137926 /nfs/dbraw/zinc/13/79/26/220137926.db2.gz NERQWKQQBXKIFS-DHHPTOIESA-N 1 2 339.779 2.174 10 5 EEBELO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111318798 220137929 /nfs/dbraw/zinc/13/79/29/220137929.db2.gz NERQWKQQBXKIFS-DHHPTOIESA-N 1 2 339.779 2.174 10 5 EEBELO Cc1nc(N2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)cc[nH+]1 ZINC000273479193 256300291 /nfs/dbraw/zinc/30/02/91/256300291.db2.gz KBIJTXODRKLEEF-UHFFFAOYSA-N 1 2 335.314 2.298 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000248775708 160360700 /nfs/dbraw/zinc/36/07/00/160360700.db2.gz BDEPXHLVKLHIFL-XEZPLFJOSA-N 1 2 334.372 2.377 10 5 EEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000248775708 160360701 /nfs/dbraw/zinc/36/07/01/160360701.db2.gz BDEPXHLVKLHIFL-XEZPLFJOSA-N 1 2 334.372 2.377 10 5 EEBELO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000245752474 160251046 /nfs/dbraw/zinc/25/10/46/160251046.db2.gz OCIFGQXEWAUHRW-WFEZPHLISA-N 1 2 331.416 2.261 10 5 EEBELO NC(=O)c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000171365224 227042245 /nfs/dbraw/zinc/04/22/45/227042245.db2.gz VNIYZKVKRFHYBL-GFCCVEGCSA-N 1 2 341.371 2.027 10 5 EEBELO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122175117 222030169 /nfs/dbraw/zinc/03/01/69/222030169.db2.gz VRQMQPCCQQYHOA-GIZXNFQBSA-N 1 2 328.372 2.206 10 5 EEBELO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000122175117 222030172 /nfs/dbraw/zinc/03/01/72/222030172.db2.gz VRQMQPCCQQYHOA-GIZXNFQBSA-N 1 2 328.372 2.206 10 5 EEBELO Cn1c[nH+]cc1CCC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577313280 320248192 /nfs/dbraw/zinc/24/81/92/320248192.db2.gz YUENSAQFNBOITD-UHFFFAOYSA-N 1 2 341.371 2.101 10 5 EEBELO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000069571331 463278992 /nfs/dbraw/zinc/27/89/92/463278992.db2.gz WQLIWDKSZXLGLG-CQSZACIVSA-N 1 2 349.387 2.069 10 5 EEBELO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000069571331 463278996 /nfs/dbraw/zinc/27/89/96/463278996.db2.gz WQLIWDKSZXLGLG-CQSZACIVSA-N 1 2 349.387 2.069 10 5 EEBELO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](c2ccccc2)O1 ZINC000159776558 463304501 /nfs/dbraw/zinc/30/45/01/463304501.db2.gz QNHGGNYOHYOXOD-WMLDXEAASA-N 1 2 343.383 2.219 10 5 EEBELO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](c2ccccc2)O1 ZINC000159776558 463304506 /nfs/dbraw/zinc/30/45/06/463304506.db2.gz QNHGGNYOHYOXOD-WMLDXEAASA-N 1 2 343.383 2.219 10 5 EEBELO CN(C)c1[nH+]cccc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058144968 463542577 /nfs/dbraw/zinc/54/25/77/463542577.db2.gz KATOQYCGTQEPMS-UHFFFAOYSA-N 1 2 339.355 2.467 10 5 EEBELO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000173047265 464184205 /nfs/dbraw/zinc/18/42/05/464184205.db2.gz BIUWUPHAVNBYJA-UHFFFAOYSA-N 1 2 337.339 2.034 10 5 EEBELO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280707756 464238048 /nfs/dbraw/zinc/23/80/48/464238048.db2.gz FXSYLRYUSNFZPR-STQMWFEESA-N 1 2 335.404 2.398 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315796 464238094 /nfs/dbraw/zinc/23/80/94/464238094.db2.gz XRHMFLFWSBITOG-BLLLJJGKSA-N 1 2 343.387 2.492 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315796 464238098 /nfs/dbraw/zinc/23/80/98/464238098.db2.gz XRHMFLFWSBITOG-BLLLJJGKSA-N 1 2 343.387 2.492 10 5 EEBELO COc1cc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)ncn1 ZINC000359570976 465462983 /nfs/dbraw/zinc/46/29/83/465462983.db2.gz MEOYFPDKWIWGRF-ZDUSSCGKSA-N 1 2 343.387 2.277 10 5 EEBELO O=C(N[C@H]1CCC[C@@H](CO)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298177066 465323658 /nfs/dbraw/zinc/32/36/58/465323658.db2.gz DIKZCPZGBNHMNN-OCCSQVGLSA-N 1 2 344.371 2.061 10 5 EEBELO NC(=O)c1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000339771499 465502747 /nfs/dbraw/zinc/50/27/47/465502747.db2.gz MOFQAXUPEDYFHT-HNNXBMFYSA-N 1 2 333.388 2.085 10 5 EEBELO NC(=O)c1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC000339771499 465502750 /nfs/dbraw/zinc/50/27/50/465502750.db2.gz MOFQAXUPEDYFHT-HNNXBMFYSA-N 1 2 333.388 2.085 10 5 EEBELO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000361634653 466165185 /nfs/dbraw/zinc/16/51/85/466165185.db2.gz BZBINNRFHAZBNE-GFCCVEGCSA-N 1 2 339.367 2.233 10 5 EEBELO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000361634653 466165192 /nfs/dbraw/zinc/16/51/92/466165192.db2.gz BZBINNRFHAZBNE-GFCCVEGCSA-N 1 2 339.367 2.233 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099224 468484256 /nfs/dbraw/zinc/48/42/56/468484256.db2.gz ONWSDBSSRIDSGT-KFWWJZLASA-N 1 2 349.431 2.439 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594099224 468484260 /nfs/dbraw/zinc/48/42/60/468484260.db2.gz ONWSDBSSRIDSGT-KFWWJZLASA-N 1 2 349.431 2.439 10 5 EEBELO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790574 468686220 /nfs/dbraw/zinc/68/62/20/468686220.db2.gz SVTPBCWKPHVWLU-JTQLQIEISA-N 1 2 347.462 2.116 10 5 EEBELO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790574 468686226 /nfs/dbraw/zinc/68/62/26/468686226.db2.gz SVTPBCWKPHVWLU-JTQLQIEISA-N 1 2 347.462 2.116 10 5 EEBELO CCOc1ccc([C@H](C)[NH2+]Cc2nc(COC)n[nH]2)cc1[N+](=O)[O-] ZINC000595064761 468751021 /nfs/dbraw/zinc/75/10/21/468751021.db2.gz BBMGRLXMMAWNPK-JTQLQIEISA-N 1 2 335.364 2.109 10 5 EEBELO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601257366 468801061 /nfs/dbraw/zinc/80/10/61/468801061.db2.gz OHFILFMYQZBDPJ-UHFFFAOYSA-N 1 2 332.335 2.157 10 5 EEBELO O=[N+]([O-])c1ccccc1N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000595288931 468801265 /nfs/dbraw/zinc/80/12/65/468801265.db2.gz BMNGFHPBBMWOIH-CQSZACIVSA-N 1 2 327.331 2.141 10 5 EEBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585792281 469036580 /nfs/dbraw/zinc/03/65/80/469036580.db2.gz KSIJZFOVBZENDM-USXIJHARSA-N 1 2 336.388 2.052 10 5 EEBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585792281 469036587 /nfs/dbraw/zinc/03/65/87/469036587.db2.gz KSIJZFOVBZENDM-USXIJHARSA-N 1 2 336.388 2.052 10 5 EEBELO O=C(C1CC1)[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599067156 469105332 /nfs/dbraw/zinc/10/53/32/469105332.db2.gz CFUGDWRTWFQWFW-HNNXBMFYSA-N 1 2 327.340 2.327 10 5 EEBELO COc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000589104436 469194893 /nfs/dbraw/zinc/19/48/93/469194893.db2.gz XCFYVMXWOVYEMO-UHFFFAOYSA-N 1 2 328.372 2.321 10 5 EEBELO O=[N+]([O-])c1ccc2[nH]c(N(CC[NH+]3CCOCC3)CC3CC3)nc2c1 ZINC000596514118 469288814 /nfs/dbraw/zinc/28/88/14/469288814.db2.gz GYDZESNWIKIQHW-UHFFFAOYSA-N 1 2 345.403 2.020 10 5 EEBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)CC2 ZINC000599717157 469347955 /nfs/dbraw/zinc/34/79/55/469347955.db2.gz DBZAFRDNUNYDII-AWEZNQCLSA-N 1 2 328.372 2.021 10 5 EEBELO Cc1nn(CCC(=O)Nc2ccc3[nH+]ccn3c2)c(C)c1[N+](=O)[O-] ZINC000609619424 469949474 /nfs/dbraw/zinc/94/94/74/469949474.db2.gz OFGDLPBLSGHNKJ-UHFFFAOYSA-N 1 2 328.332 2.085 10 5 EEBELO Cn1ncc2c1nc(NCc1cc([N+](=O)[O-])ccc1Cl)[nH+]c2N ZINC000767303909 577534079 /nfs/dbraw/zinc/53/40/79/577534079.db2.gz XPMSTMQJQJSAMX-UHFFFAOYSA-N 1 2 333.739 2.119 10 5 EEBELO CC(=CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000752616954 577773720 /nfs/dbraw/zinc/77/37/20/577773720.db2.gz NQCYMOKMNSXWRE-BIRHUZIMSA-N 1 2 326.356 2.395 10 5 EEBELO CC(=CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000752616954 577773721 /nfs/dbraw/zinc/77/37/21/577773721.db2.gz NQCYMOKMNSXWRE-BIRHUZIMSA-N 1 2 326.356 2.395 10 5 EEBELO O=C(NCc1cccc(F)n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001266421256 1176514641 /nfs/dbraw/zinc/51/46/41/1176514641.db2.gz LFRHULAXLYGLJX-UHFFFAOYSA-N 1 2 341.302 2.245 10 5 EEBELO Cn1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001126802001 1188352480 /nfs/dbraw/zinc/35/24/80/1188352480.db2.gz WKYSDRBAOFZXJS-UHFFFAOYSA-N 1 2 325.328 2.049 10 5 EEBELO CC[C@@H](C[NH+]1CCOCC1)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000928645650 1206406522 /nfs/dbraw/zinc/40/65/22/1206406522.db2.gz ZZZMLAPFUITDPV-HECSCLNYSA-N 1 2 347.415 2.225 10 5 EEBELO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[N@@H+]1CCO[C@@H](CC)C1 ZINC001154301796 1317054862 /nfs/dbraw/zinc/05/48/62/1317054862.db2.gz RWNSVRJDDRYSQP-JKSUJKDBSA-N 1 2 349.431 2.409 10 5 EEBELO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[N@H+]1CCO[C@@H](CC)C1 ZINC001154301796 1317054874 /nfs/dbraw/zinc/05/48/74/1317054874.db2.gz RWNSVRJDDRYSQP-JKSUJKDBSA-N 1 2 349.431 2.409 10 5 EEBELO CN(CC[N@H+](C)Cc1ccc(Cl)cc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001319999544 1332808200 /nfs/dbraw/zinc/80/82/00/1332808200.db2.gz IMXIIGCGOZUXDH-TZMCWYRMSA-N 1 2 343.786 2.035 10 5 EEBELO CN(CC[N@@H+](C)Cc1ccc(Cl)cc1F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001319999544 1332808204 /nfs/dbraw/zinc/80/82/04/1332808204.db2.gz IMXIIGCGOZUXDH-TZMCWYRMSA-N 1 2 343.786 2.035 10 5 EEBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001587889670 1348874242 /nfs/dbraw/zinc/87/42/42/1348874242.db2.gz LFBJMFZUCISZNW-UHFFFAOYSA-N 1 2 349.310 2.076 10 5 EEBELO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)ccc1-n1cc[nH+]c1 ZINC001626969111 1352479237 /nfs/dbraw/zinc/47/92/37/1352479237.db2.gz PFUJEUJEXDZBSK-UHFFFAOYSA-N 1 2 338.327 2.318 10 5 EEBELO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3N)[nH+]c12 ZINC001630471164 1352569238 /nfs/dbraw/zinc/56/92/38/1352569238.db2.gz KERPJEZGPSTLNR-UHFFFAOYSA-N 1 2 339.355 2.106 10 5 EEBELO CC(C)C1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001655088463 1354164206 /nfs/dbraw/zinc/16/42/06/1354164206.db2.gz OTKHJFGFGHDPMB-CYBMUJFWSA-N 1 2 335.404 2.405 10 5 EEBELO C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cnccn1 ZINC001127802722 787747224 /nfs/dbraw/zinc/74/72/24/787747224.db2.gz IZRPPHNJEJJCAJ-LLVKDONJSA-N 1 2 339.311 2.489 10 5 EEBELO Cc1cc(NCc2ccc[nH+]c2N)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458386191 1109866016 /nfs/dbraw/zinc/86/60/16/1109866016.db2.gz XAFWTMFHFVCRNJ-UHFFFAOYSA-N 1 2 336.355 2.371 10 5 EEBELO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccn2cc[nH+]c2c1 ZINC001460688462 1110320913 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COc1ccc(OCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000352997834 162381629 /nfs/dbraw/zinc/38/16/29/162381629.db2.gz OZTSALVNXXFHGH-UHFFFAOYSA-N 1 2 329.356 2.436 10 5 EEBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000359427521 164130659 /nfs/dbraw/zinc/13/06/59/164130659.db2.gz PNUCDDPOTXOANS-MNOVXSKESA-N 1 2 346.412 2.472 10 5 EEBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000359427521 164130660 /nfs/dbraw/zinc/13/06/60/164130660.db2.gz PNUCDDPOTXOANS-MNOVXSKESA-N 1 2 346.412 2.472 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nncn1-c1ccccc1)CC2 ZINC000444670954 315315140 /nfs/dbraw/zinc/31/51/40/315315140.db2.gz HFRYEGPNCKKWMN-UHFFFAOYSA-N 1 2 336.355 2.129 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nncn1-c1ccccc1)CC2 ZINC000444670954 315315143 /nfs/dbraw/zinc/31/51/43/315315143.db2.gz HFRYEGPNCKKWMN-UHFFFAOYSA-N 1 2 336.355 2.129 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nccn1CC(F)(F)F)CC2 ZINC000347791258 465229725 /nfs/dbraw/zinc/22/97/25/465229725.db2.gz VCANVKKVQHBVTA-UHFFFAOYSA-N 1 2 341.293 2.307 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nccn1CC(F)(F)F)CC2 ZINC000347791258 465229732 /nfs/dbraw/zinc/22/97/32/465229732.db2.gz VCANVKKVQHBVTA-UHFFFAOYSA-N 1 2 341.293 2.307 10 5 EEBELO Cn1c(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000337304876 465294980 /nfs/dbraw/zinc/29/49/80/465294980.db2.gz QYZINPZUHNHHNM-UHFFFAOYSA-N 1 2 339.355 2.108 10 5 EEBELO COc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000356325620 465313778 /nfs/dbraw/zinc/31/37/78/465313778.db2.gz QNIVAPLDMWVBMW-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO COc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000356325620 465313782 /nfs/dbraw/zinc/31/37/82/465313782.db2.gz QNIVAPLDMWVBMW-UHFFFAOYSA-N 1 2 330.344 2.346 10 5 EEBELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000046617443 462692329 /nfs/dbraw/zinc/69/23/29/462692329.db2.gz WARBPNWOBIRWFT-UHFFFAOYSA-N 1 2 326.356 2.389 10 5 EEBELO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000093415264 463036478 /nfs/dbraw/zinc/03/64/78/463036478.db2.gz NSMNGECWVMPIAR-QGZVFWFLSA-N 1 2 332.356 2.474 10 5 EEBELO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000093415264 463036481 /nfs/dbraw/zinc/03/64/81/463036481.db2.gz NSMNGECWVMPIAR-QGZVFWFLSA-N 1 2 332.356 2.474 10 5 EEBELO CC(C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000095404848 463076939 /nfs/dbraw/zinc/07/69/39/463076939.db2.gz PMWBDPQCBORKRW-GJZGRUSLSA-N 1 2 348.447 2.187 10 5 EEBELO CC(C)NC(=O)[C@H](C)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000095404848 463076942 /nfs/dbraw/zinc/07/69/42/463076942.db2.gz PMWBDPQCBORKRW-GJZGRUSLSA-N 1 2 348.447 2.187 10 5 EEBELO CN(Cc1ccc[nH]1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000080987227 463379803 /nfs/dbraw/zinc/37/98/03/463379803.db2.gz HFDMMDPOMGXEDJ-UHFFFAOYSA-N 1 2 325.328 2.381 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175192143 464501700 /nfs/dbraw/zinc/50/17/00/464501700.db2.gz GRCNXJFUCGUPSM-UHFFFAOYSA-N 1 2 333.388 2.248 10 5 EEBELO CCn1cc[nH+]c1CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000294984277 464670789 /nfs/dbraw/zinc/67/07/89/464670789.db2.gz MHSKJAQBGWBDSD-UHFFFAOYSA-N 1 2 329.360 2.316 10 5 EEBELO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000346160610 465946715 /nfs/dbraw/zinc/94/67/15/465946715.db2.gz XEOHKFSFYWWYPF-STQMWFEESA-N 1 2 335.404 2.398 10 5 EEBELO CC(C)(C)c1nc(N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000301508356 465976303 /nfs/dbraw/zinc/97/63/03/465976303.db2.gz HRQXHFNAXNAFCF-HIFRSBDPSA-N 1 2 346.387 2.189 10 5 EEBELO C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449784748 467714713 /nfs/dbraw/zinc/71/47/13/467714713.db2.gz CFOHJBKGASPWJA-CQSZACIVSA-N 1 2 345.399 2.353 10 5 EEBELO C[C@@H]1CN(CCO)CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449784748 467714714 /nfs/dbraw/zinc/71/47/14/467714714.db2.gz CFOHJBKGASPWJA-CQSZACIVSA-N 1 2 345.399 2.353 10 5 EEBELO Cc1c(Br)c(N2CC([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000601193455 468777064 /nfs/dbraw/zinc/77/70/64/468777064.db2.gz IUVCHIJDGUWCBX-UHFFFAOYSA-N 1 2 341.209 2.345 10 5 EEBELO O=[N+]([O-])c1cc(F)ccc1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000595330534 468814873 /nfs/dbraw/zinc/81/48/73/468814873.db2.gz LIJNKFMZVZIWIN-MRXNPFEDSA-N 1 2 337.395 2.421 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593054254 468853383 /nfs/dbraw/zinc/85/33/83/468853383.db2.gz SRIKJLVVYAIZRI-UHFFFAOYSA-N 1 2 343.387 2.163 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593054254 468853387 /nfs/dbraw/zinc/85/33/87/468853387.db2.gz SRIKJLVVYAIZRI-UHFFFAOYSA-N 1 2 343.387 2.163 10 5 EEBELO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000598644954 468942701 /nfs/dbraw/zinc/94/27/01/468942701.db2.gz WKOVELZGPAFUDW-MRXNPFEDSA-N 1 2 332.381 2.354 10 5 EEBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000603887866 469441458 /nfs/dbraw/zinc/44/14/58/469441458.db2.gz QOKPRUBUPHQTNX-AWEZNQCLSA-N 1 2 342.399 2.452 10 5 EEBELO COC(=O)COc1ccc(C[NH2+]C(C)(C)C(F)F)cc1[N+](=O)[O-] ZINC000619432122 469603940 /nfs/dbraw/zinc/60/39/40/469603940.db2.gz XODDBKNUCHHWNL-UHFFFAOYSA-N 1 2 332.303 2.280 10 5 EEBELO COc1ccc(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000609016899 469888637 /nfs/dbraw/zinc/88/86/37/469888637.db2.gz JXOYRDSMMUKWNW-UHFFFAOYSA-N 1 2 344.371 2.275 10 5 EEBELO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000762470545 577701719 /nfs/dbraw/zinc/70/17/19/577701719.db2.gz QXMIHVQENFMBNK-AWEZNQCLSA-N 1 2 349.391 2.262 10 5 EEBELO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000762470545 577701720 /nfs/dbraw/zinc/70/17/20/577701720.db2.gz QXMIHVQENFMBNK-AWEZNQCLSA-N 1 2 349.391 2.262 10 5 EEBELO CC(=CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000752616955 577773706 /nfs/dbraw/zinc/77/37/06/577773706.db2.gz NQCYMOKMNSXWRE-RUNBWSAHSA-N 1 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EEBELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000063567197 462655248 /nfs/dbraw/zinc/65/52/48/462655248.db2.gz PIHDQDODNBLYLD-NVXWUHKLSA-N 1 2 345.399 2.127 10 5 EEBELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000063567197 462655251 /nfs/dbraw/zinc/65/52/51/462655251.db2.gz PIHDQDODNBLYLD-NVXWUHKLSA-N 1 2 345.399 2.127 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000075148248 462686586 /nfs/dbraw/zinc/68/65/86/462686586.db2.gz MXSKNAITSFUCOR-GFCCVEGCSA-N 1 2 348.428 2.152 10 5 EEBELO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000069571332 463279068 /nfs/dbraw/zinc/27/90/68/463279068.db2.gz WQLIWDKSZXLGLG-AWEZNQCLSA-N 1 2 349.387 2.069 10 5 EEBELO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C2OCCO2)cc1[N+](=O)[O-] ZINC000069571332 463279071 /nfs/dbraw/zinc/27/90/71/463279071.db2.gz WQLIWDKSZXLGLG-AWEZNQCLSA-N 1 2 349.387 2.069 10 5 EEBELO CO[C@@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 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/nfs/dbraw/zinc/09/84/30/1103098430.db2.gz CBVPRBPMLILHGZ-IYBDPMFKSA-N 1 2 347.415 2.195 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000459189826 245028253 /nfs/dbraw/zinc/02/82/53/245028253.db2.gz WRPNZVRDASGSLW-UHFFFAOYSA-N 1 2 331.376 2.105 10 5 EEBELO C[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)CS(C)(=O)=O ZINC000130408140 292373190 /nfs/dbraw/zinc/37/31/90/292373190.db2.gz SSOIKTBHNSYYKM-GFCCVEGCSA-N 1 2 326.418 2.240 10 5 EEBELO C[C@H](C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)CS(C)(=O)=O ZINC000130408140 292373191 /nfs/dbraw/zinc/37/31/91/292373191.db2.gz SSOIKTBHNSYYKM-GFCCVEGCSA-N 1 2 326.418 2.240 10 5 EEBELO COc1cc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)ncn1 ZINC000184435763 160007320 /nfs/dbraw/zinc/00/73/20/160007320.db2.gz GMWUONXMXFQRMA-UHFFFAOYSA-N 1 2 343.387 2.024 10 5 EEBELO COc1cc(C[NH+]2CCN(c3cc(C)[nH]n3)CC2)c([N+](=O)[O-])cc1F ZINC000187275014 160098024 /nfs/dbraw/zinc/09/80/24/160098024.db2.gz CZKDVHKAMPCUQB-UHFFFAOYSA-N 1 2 349.366 2.096 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ZINC000421000327 314019701 /nfs/dbraw/zinc/01/97/01/314019701.db2.gz AYQASKVJBOPJGM-MWLCHTKSSA-N 1 2 327.768 2.032 10 5 EEBELO CC[C@H]1[C@H](CO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452941503 315619193 /nfs/dbraw/zinc/61/91/93/315619193.db2.gz TUAVVMFBSGPSKD-KBPBESRZSA-N 1 2 344.371 2.014 10 5 EEBELO COc1ccccc1C[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000076290811 462837325 /nfs/dbraw/zinc/83/73/25/462837325.db2.gz TXQFEMYOUBWYCA-UHFFFAOYSA-N 1 2 328.372 2.321 10 5 EEBELO CC(C)NC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000095404849 463077085 /nfs/dbraw/zinc/07/70/85/463077085.db2.gz PMWBDPQCBORKRW-HUUCEWRRSA-N 1 2 348.447 2.187 10 5 EEBELO CC(C)NC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000095404849 463077088 /nfs/dbraw/zinc/07/70/88/463077088.db2.gz PMWBDPQCBORKRW-HUUCEWRRSA-N 1 2 348.447 2.187 10 5 EEBELO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCOCC2)o1 ZINC000073109377 463584739 /nfs/dbraw/zinc/58/47/39/463584739.db2.gz MBQAANZHICTPDJ-CQSZACIVSA-N 1 2 332.360 2.377 10 5 EEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279407064 464099299 /nfs/dbraw/zinc/09/92/99/464099299.db2.gz WQWAZPKUCMEEEZ-ZQHYZAEZSA-N 1 2 347.415 2.177 10 5 EEBELO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280707752 464237958 /nfs/dbraw/zinc/23/79/58/464237958.db2.gz FXSYLRYUSNFZPR-CHWSQXEVSA-N 1 2 335.404 2.398 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315810 464238363 /nfs/dbraw/zinc/23/83/63/464238363.db2.gz XRHMFLFWSBITOG-MLGOLLRUSA-N 1 2 343.387 2.492 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173315810 464238368 /nfs/dbraw/zinc/23/83/68/464238368.db2.gz XRHMFLFWSBITOG-MLGOLLRUSA-N 1 2 343.387 2.492 10 5 EEBELO COc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286229061 464847608 /nfs/dbraw/zinc/84/76/08/464847608.db2.gz DNWVTOKYFOQVGD-RYUDHWBXSA-N 1 2 339.367 2.042 10 5 EEBELO COc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)ncn1 ZINC000184090783 464946633 /nfs/dbraw/zinc/94/66/33/464946633.db2.gz XFZIRSLCUPFOAK-UHFFFAOYSA-N 1 2 343.387 2.024 10 5 EEBELO CC(C)CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000282899375 464993539 /nfs/dbraw/zinc/99/35/39/464993539.db2.gz ARAMTBZHYSQNTG-UHFFFAOYSA-N 1 2 335.404 2.493 10 5 EEBELO CNc1c(C(=O)NCc2[nH+]ccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000361213927 465841906 /nfs/dbraw/zinc/84/19/06/465841906.db2.gz SRPJUZJQYPFPPR-UHFFFAOYSA-N 1 2 331.376 2.419 10 5 EEBELO Cc1cn2c([nH+]1)CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000371703181 465950507 /nfs/dbraw/zinc/95/05/07/465950507.db2.gz JKJMZMVMPPBHEK-UHFFFAOYSA-N 1 2 349.778 2.207 10 5 EEBELO CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371823481 466018716 /nfs/dbraw/zinc/01/87/16/466018716.db2.gz QXDQNJNBNLPXCQ-YKWSONSWSA-N 1 2 326.356 2.395 10 5 EEBELO CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371823481 466018724 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COc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000515708057 468002319 /nfs/dbraw/zinc/00/23/19/468002319.db2.gz RWWMTEYDRLMROJ-UHFFFAOYSA-N 1 2 328.372 2.321 10 5 EEBELO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600440914 468559697 /nfs/dbraw/zinc/55/96/97/468559697.db2.gz MDDWWAKAZHRQAF-OVZMXSCWSA-N 1 2 344.371 2.322 10 5 EEBELO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601383499 468851586 /nfs/dbraw/zinc/85/15/86/468851586.db2.gz QVFOGRSLRPDWEJ-UWVGGRQHSA-N 1 2 347.462 2.068 10 5 EEBELO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601383499 468851590 /nfs/dbraw/zinc/85/15/90/468851590.db2.gz QVFOGRSLRPDWEJ-UWVGGRQHSA-N 1 2 347.462 2.068 10 5 EEBELO C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595681918 468952859 /nfs/dbraw/zinc/95/28/59/468952859.db2.gz OURBBOAGIMSKQB-CYBMUJFWSA-N 1 2 345.399 2.127 10 5 EEBELO 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1202491483 /nfs/dbraw/zinc/49/14/83/1202491483.db2.gz GOFRPEMFBLIFMB-GHMZBOCLSA-N 1 2 347.293 2.163 10 5 EEBELO CC[C@H](C[NH+]1CCOCC1)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000928645652 1206406484 /nfs/dbraw/zinc/40/64/84/1206406484.db2.gz ZZZMLAPFUITDPV-WCRPCQDQSA-N 1 2 347.415 2.225 10 5 EEBELO C/C(=C\C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21)C[NH+]1CCOCC1 ZINC000901318624 1235537551 /nfs/dbraw/zinc/53/75/51/1235537551.db2.gz TWXBANUBOAYMGT-UKTHLTGXSA-N 1 2 345.399 2.071 10 5 EEBELO CNc1c(C(=O)NCCCN(C)c2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC001153114068 1316777767 /nfs/dbraw/zinc/77/77/67/1316777767.db2.gz PIZMXONBZMLWDG-UHFFFAOYSA-N 1 2 343.387 2.288 10 5 EEBELO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001298331879 1330057739 /nfs/dbraw/zinc/05/77/39/1330057739.db2.gz JCUMSEUXRJOAGU-UWVGGRQHSA-N 1 2 327.743 2.116 10 5 EEBELO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001298331879 1330057742 /nfs/dbraw/zinc/05/77/42/1330057742.db2.gz 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C/C(=C/C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000779213361 1209382540 /nfs/dbraw/zinc/38/25/40/1209382540.db2.gz HFULBZWESAQSRY-HCYCVZQXSA-N 1 2 326.356 2.326 10 5 EEBELO Cc1cn(C(C)(C)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c[nH+]1 ZINC001119456362 1309077233 /nfs/dbraw/zinc/07/72/33/1309077233.db2.gz NLLHGYJNWKWOKD-UHFFFAOYSA-N 1 2 328.372 2.420 10 5 EEBELO Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)ccc1-n1cc[nH+]c1 ZINC001292863772 1328532944 /nfs/dbraw/zinc/53/29/44/1328532944.db2.gz FCYWCXJWVFJUTD-UHFFFAOYSA-N 1 2 326.316 2.075 10 5 EEBELO COc1c(C)c[nH+]c(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1C ZINC001142757180 1315723146 /nfs/dbraw/zinc/72/31/46/1315723146.db2.gz HIJKKCDBDPMQQY-UHFFFAOYSA-N 1 2 330.344 2.249 10 5 EEBELO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC001329689101 1334697537 /nfs/dbraw/zinc/69/75/37/1334697537.db2.gz FWGPTJHRAJKNPR-YUMQZZPRSA-N 1 2 337.273 2.452 10 5 EEBELO CSc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1[N+](=O)[O-] ZINC001557841331 1342458254 /nfs/dbraw/zinc/45/82/54/1342458254.db2.gz HWFGEXSAWOXQKU-UHFFFAOYSA-N 1 2 344.396 2.492 10 5 EEBELO O=C(Nc1cnc2ccnn2c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001587294331 1348859730 /nfs/dbraw/zinc/85/97/30/1348859730.db2.gz IRUDWLLGEBZVGB-UHFFFAOYSA-N 1 2 349.310 2.076 10 5 EEBELO COc1cccnc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001631475898 1352584133 /nfs/dbraw/zinc/58/41/33/1352584133.db2.gz HRGHQNFHVYPJQG-UHFFFAOYSA-N 1 2 339.311 2.436 10 5 EEBELO CC(C)(CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001647844931 1353404620 /nfs/dbraw/zinc/40/46/20/1353404620.db2.gz URMAJEYXKBXUSH-UHFFFAOYSA-N 1 2 344.371 2.306 10 5 EEBELO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1c1cnccn1 ZINC001655144977 1354166366 /nfs/dbraw/zinc/16/63/66/1354166366.db2.gz KZYGLXILTIPVTH-GFCCVEGCSA-N 1 2 331.351 2.235 10 5 EEBELO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1c1cnccn1 ZINC001655144977 1354166368 /nfs/dbraw/zinc/16/63/68/1354166368.db2.gz KZYGLXILTIPVTH-GFCCVEGCSA-N 1 2 331.351 2.235 10 5 EEBELO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC001176035803 798326303 /nfs/dbraw/zinc/32/63/03/798326303.db2.gz DCDLAOKYABBPDJ-IUCAKERBSA-N 1 2 329.320 2.175 10 5 EEBELO C[NH+](C)Cc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)co1 ZINC001179128206 799791753 /nfs/dbraw/zinc/79/17/53/799791753.db2.gz KAHMKMKLPAWAMH-UHFFFAOYSA-N 1 2 338.751 2.228 10 5 EEBELO CC[C@@H](C)[C@H](C(=O)OC)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001459307657 1110138749 /nfs/dbraw/zinc/13/87/49/1110138749.db2.gz AMFZVOPHESVVQZ-CZUORRHYSA-N 1 2 335.404 2.305 10 5 EEBELO O=C1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000093101479 218193125 /nfs/dbraw/zinc/19/31/25/218193125.db2.gz FTWJRVVDCZGNPD-UHFFFAOYSA-N 1 2 332.385 2.040 10 5 EEBELO O=C1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1 ZINC000093101479 218193128 /nfs/dbraw/zinc/19/31/28/218193128.db2.gz FTWJRVVDCZGNPD-UHFFFAOYSA-N 1 2 332.385 2.040 10 5 EEBELO CCn1cc([C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000190801952 152223559 /nfs/dbraw/zinc/22/35/59/152223559.db2.gz NDYIHYHLXPYTLE-QGZVFWFLSA-N 1 2 346.387 2.264 10 5 EEBELO CCn1cc([C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000190801952 152223565 /nfs/dbraw/zinc/22/35/65/152223565.db2.gz NDYIHYHLXPYTLE-QGZVFWFLSA-N 1 2 346.387 2.264 10 5 EEBELO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000248416000 160344419 /nfs/dbraw/zinc/34/44/19/160344419.db2.gz ILUMGNBXARDVRR-MLGOLLRUSA-N 1 2 339.823 2.401 10 5 EEBELO COC(=O)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000352416330 162128416 /nfs/dbraw/zinc/12/84/16/162128416.db2.gz GBQIWLUCSZEUND-CYBMUJFWSA-N 1 2 342.355 2.360 10 5 EEBELO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352525423 162172755 /nfs/dbraw/zinc/17/27/55/162172755.db2.gz GLIJVHIUJNTGMN-GFCCVEGCSA-N 1 2 340.401 2.084 10 5 EEBELO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352525423 162172756 /nfs/dbraw/zinc/17/27/56/162172756.db2.gz GLIJVHIUJNTGMN-GFCCVEGCSA-N 1 2 340.401 2.084 10 5 EEBELO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000352693412 162248710 /nfs/dbraw/zinc/24/87/10/162248710.db2.gz KUPIABDXHZMNEY-MRXNPFEDSA-N 1 2 337.395 2.421 10 5 EEBELO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436961499 315016391 /nfs/dbraw/zinc/01/63/91/315016391.db2.gz HNAUEIALWMLAKR-UHFFFAOYSA-N 1 2 335.404 2.494 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337408790 465351474 /nfs/dbraw/zinc/35/14/74/465351474.db2.gz PFHCEENFACIXBY-HNNXBMFYSA-N 1 2 326.418 2.302 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337408790 465351483 /nfs/dbraw/zinc/35/14/83/465351483.db2.gz PFHCEENFACIXBY-HNNXBMFYSA-N 1 2 326.418 2.302 10 5 EEBELO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000117278739 462791514 /nfs/dbraw/zinc/79/15/14/462791514.db2.gz IBHQXIKAHHQYDC-NSHDSACASA-N 1 2 341.433 2.148 10 5 EEBELO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000117278739 462791520 /nfs/dbraw/zinc/79/15/20/462791520.db2.gz IBHQXIKAHHQYDC-NSHDSACASA-N 1 2 341.433 2.148 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000157897485 463182220 /nfs/dbraw/zinc/18/22/20/463182220.db2.gz FMZRMEWSFKEXJK-UHFFFAOYSA-N 1 2 333.388 2.248 10 5 EEBELO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000177243468 464967345 /nfs/dbraw/zinc/96/73/45/464967345.db2.gz YDRZIHYCVKBPCQ-LBPRGKRZSA-N 1 2 329.360 2.152 10 5 EEBELO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cnccn2)cccc1[N+](=O)[O-] ZINC000177243468 464967351 /nfs/dbraw/zinc/96/73/51/464967351.db2.gz YDRZIHYCVKBPCQ-LBPRGKRZSA-N 1 2 329.360 2.152 10 5 EEBELO C[N@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000353554777 465974191 /nfs/dbraw/zinc/97/41/91/465974191.db2.gz LSPLUVZGRQFHOI-UHFFFAOYSA-N 1 2 347.346 2.301 10 5 EEBELO C[N@@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000353554777 465974195 /nfs/dbraw/zinc/97/41/95/465974195.db2.gz LSPLUVZGRQFHOI-UHFFFAOYSA-N 1 2 347.346 2.301 10 5 EEBELO CC1(C)[C@H](O)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361416161 465976729 /nfs/dbraw/zinc/97/67/29/465976729.db2.gz QLEIYHOWFBIDMX-GFCCVEGCSA-N 1 2 327.768 2.032 10 5 EEBELO CC1(C)[C@H](O)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361416161 465976737 /nfs/dbraw/zinc/97/67/37/465976737.db2.gz QLEIYHOWFBIDMX-GFCCVEGCSA-N 1 2 327.768 2.032 10 5 EEBELO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000363879651 466644345 /nfs/dbraw/zinc/64/43/45/466644345.db2.gz CGHSPBOWJJOYPU-HZPDHXFCSA-N 1 2 339.355 2.126 10 5 EEBELO O=C1[C@@H]([N@@H+]2CCO[C@H](C3CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411848885 466916937 /nfs/dbraw/zinc/91/69/37/466916937.db2.gz NRBRLJWNDVKLIU-IRXDYDNUSA-N 1 2 345.399 2.201 10 5 EEBELO O=C1[C@@H]([N@H+]2CCO[C@H](C3CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411848885 466916940 /nfs/dbraw/zinc/91/69/40/466916940.db2.gz NRBRLJWNDVKLIU-IRXDYDNUSA-N 1 2 345.399 2.201 10 5 EEBELO CCn1cc[nH+]c1[C@H](C)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000450827806 467915287 /nfs/dbraw/zinc/91/52/87/467915287.db2.gz IVOFPXCJOPZWGR-JTQLQIEISA-N 1 2 333.348 2.474 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cnn(C)c2C)c1 ZINC000589514102 468157890 /nfs/dbraw/zinc/15/78/90/468157890.db2.gz CELROJHACHQBCW-UHFFFAOYSA-N 1 2 332.360 2.055 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cnn(C)c2C)c1 ZINC000589514102 468157894 /nfs/dbraw/zinc/15/78/94/468157894.db2.gz CELROJHACHQBCW-UHFFFAOYSA-N 1 2 332.360 2.055 10 5 EEBELO CC1(C(N)=O)C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000567900157 468234724 /nfs/dbraw/zinc/23/47/24/468234724.db2.gz UGZWPIXDMQEGDX-UHFFFAOYSA-N 1 2 332.385 2.026 10 5 EEBELO COC(=O)c1cc(-c2cc[nH+]c(N3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC000600787757 468658167 /nfs/dbraw/zinc/65/81/67/468658167.db2.gz FACMUQCSCDUYDC-UHFFFAOYSA-N 1 2 343.339 2.280 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000593035366 468846843 /nfs/dbraw/zinc/84/68/43/468846843.db2.gz OULHOYVZRSFVNR-MRXNPFEDSA-N 1 2 334.372 2.382 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000593035366 468846849 /nfs/dbraw/zinc/84/68/49/468846849.db2.gz OULHOYVZRSFVNR-MRXNPFEDSA-N 1 2 334.372 2.382 10 5 EEBELO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000598949015 469062892 /nfs/dbraw/zinc/06/28/92/469062892.db2.gz RYNSNQCMFPRJCO-SNVBAGLBSA-N 1 2 325.328 2.017 10 5 EEBELO Nc1cc(NCCCCNc2cccc[nH+]2)cc(CO)c1[N+](=O)[O-] ZINC000611525869 469272397 /nfs/dbraw/zinc/27/23/97/469272397.db2.gz YBUDNVOFLGMMDO-UHFFFAOYSA-N 1 2 331.376 2.369 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1C[C@@H](O)C12CCC2 ZINC000596511383 469288314 /nfs/dbraw/zinc/28/83/14/469288314.db2.gz POBXJDIDDADTQG-IAGOWNOFSA-N 1 2 347.415 2.142 10 5 EEBELO COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000619506952 469629116 /nfs/dbraw/zinc/62/91/16/469629116.db2.gz KQHPSHRHTZDNPU-UHFFFAOYSA-N 1 2 348.340 2.052 10 5 EEBELO CN(C)c1c[nH+]ccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000614050626 469838102 /nfs/dbraw/zinc/83/81/02/469838102.db2.gz RRLPITCABKUBEL-UHFFFAOYSA-N 1 2 339.355 2.140 10 5 EEBELO C/C(=C\C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000779213363 1209382384 /nfs/dbraw/zinc/38/23/84/1209382384.db2.gz HFULBZWESAQSRY-WONIAPNHSA-N 1 2 326.356 2.326 10 5 EEBELO CCc1c[nH+]c(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])[nH]1 ZINC001187600734 1279584871 /nfs/dbraw/zinc/58/48/71/1279584871.db2.gz XZYGYNKXEXENOY-UHFFFAOYSA-N 1 2 327.344 2.344 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000857989913 1293981458 /nfs/dbraw/zinc/98/14/58/1293981458.db2.gz TXBTVCKTUVULQE-LBPRGKRZSA-N 1 2 330.344 2.130 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840523851 1315373691 /nfs/dbraw/zinc/37/36/91/1315373691.db2.gz RTMYNUQXMCNOOQ-OWBHPGMISA-N 1 2 347.415 2.225 10 5 EEBELO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001142905615 1315793859 /nfs/dbraw/zinc/79/38/59/1315793859.db2.gz KCLDBXPGZJUBBN-LLVKDONJSA-N 1 2 337.339 2.084 10 5 EEBELO O=C(Nc1cnn(CCF)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001640580088 1352711502 /nfs/dbraw/zinc/71/15/02/1352711502.db2.gz ZWGVBYUUZMTXQY-UHFFFAOYSA-N 1 2 344.306 2.199 10 5 EEBELO CC(C)C1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001655088464 1354164289 /nfs/dbraw/zinc/16/42/89/1354164289.db2.gz OTKHJFGFGHDPMB-ZDUSSCGKSA-N 1 2 335.404 2.405 10 5 EEBELO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC001655736685 1354182774 /nfs/dbraw/zinc/18/27/74/1354182774.db2.gz RIMFGMITMZTBKR-GOSISDBHSA-N 1 2 346.383 2.392 10 5 EEBELO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1noc(C)n1 ZINC001658190900 1354356452 /nfs/dbraw/zinc/35/64/52/1354356452.db2.gz QGBZTAXREMCCIZ-NSHDSACASA-N 1 2 333.348 2.356 10 5 EEBELO C/C(=C/C(=O)O[C@H](C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000784918706 757005270 /nfs/dbraw/zinc/00/52/70/757005270.db2.gz RRNFZVWOARFKQO-YBEMTRGBSA-N 1 2 334.372 2.262 10 5 EEBELO CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000919590518 770060764 /nfs/dbraw/zinc/06/07/64/770060764.db2.gz GJCBTFAMUWWFMR-AOOOYVTPSA-N 1 2 347.462 2.068 10 5 EEBELO CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000919590518 770060777 /nfs/dbraw/zinc/06/07/77/770060777.db2.gz GJCBTFAMUWWFMR-AOOOYVTPSA-N 1 2 347.462 2.068 10 5 EEBELO C[N@@H+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1CO ZINC000913552064 788985165 /nfs/dbraw/zinc/98/51/65/788985165.db2.gz DXUIYNRTQSHINW-HNNXBMFYSA-N 1 2 335.407 2.137 10 5 EEBELO C[N@H+]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1CO ZINC000913552064 788985172 /nfs/dbraw/zinc/98/51/72/788985172.db2.gz DXUIYNRTQSHINW-HNNXBMFYSA-N 1 2 335.407 2.137 10 5 EEBELO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](Cn3nccc3[N+](=O)[O-])CC2)n1 ZINC000844733136 789359916 /nfs/dbraw/zinc/35/99/16/789359916.db2.gz NZYCSFHYYUWRBJ-AAEUAGOBSA-N 1 2 346.391 2.210 10 5 EEBELO O=[N+]([O-])c1ccnn1C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789442253 808012974 /nfs/dbraw/zinc/01/29/74/808012974.db2.gz KKRIPVAFBFQMPE-UHFFFAOYSA-N 1 2 337.330 2.239 10 5 EEBELO O=[N+]([O-])c1ccnn1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789442253 808012980 /nfs/dbraw/zinc/01/29/80/808012980.db2.gz KKRIPVAFBFQMPE-UHFFFAOYSA-N 1 2 337.330 2.239 10 5 EEBELO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001471233536 1110519496 /nfs/dbraw/zinc/51/94/96/1110519496.db2.gz AORFKQLIGXTDOB-OAHLLOKOSA-N 1 2 326.356 2.094 10 5 EEBELO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC001471233536 1110519497 /nfs/dbraw/zinc/51/94/97/1110519497.db2.gz AORFKQLIGXTDOB-OAHLLOKOSA-N 1 2 326.356 2.094 10 5 EEBELO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000054991266 214261842 /nfs/dbraw/zinc/26/18/42/214261842.db2.gz XNLPMOHYPFZHIV-LBPRGKRZSA-N 1 2 331.294 2.238 10 5 EEBELO O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000054991266 214261844 /nfs/dbraw/zinc/26/18/44/214261844.db2.gz XNLPMOHYPFZHIV-LBPRGKRZSA-N 1 2 331.294 2.238 10 5 EEBELO CO[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000191627164 152264299 /nfs/dbraw/zinc/26/42/99/152264299.db2.gz BNTJSLQLMAYWIC-QWHCGFSZSA-N 1 2 330.344 2.078 10 5 EEBELO O=C(c1ccccc1[N+](=O)[O-])N1CCCN(c2cccc[nH+]2)CC1 ZINC000186469856 160071768 /nfs/dbraw/zinc/07/17/68/160071768.db2.gz LPTSFCRGZIICFY-UHFFFAOYSA-N 1 2 326.356 2.342 10 5 EEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245460845 160237777 /nfs/dbraw/zinc/23/77/77/160237777.db2.gz WBGWPFFLGWNORX-LRDDRELGSA-N 1 2 343.387 2.492 10 5 EEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245460845 160237779 /nfs/dbraw/zinc/23/77/79/160237779.db2.gz WBGWPFFLGWNORX-LRDDRELGSA-N 1 2 343.387 2.492 10 5 EEBELO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000351971818 162007344 /nfs/dbraw/zinc/00/73/44/162007344.db2.gz XGHHYNPDQXPLJA-CYBMUJFWSA-N 1 2 342.417 2.003 10 5 EEBELO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000351971818 162007348 /nfs/dbraw/zinc/00/73/48/162007348.db2.gz XGHHYNPDQXPLJA-CYBMUJFWSA-N 1 2 342.417 2.003 10 5 EEBELO CC[N@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000355300263 163137752 /nfs/dbraw/zinc/13/77/52/163137752.db2.gz BIOYJTZYRQOXEK-UHFFFAOYSA-N 1 2 349.309 2.305 10 5 EEBELO CC[N@@H+](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000355300263 163137757 /nfs/dbraw/zinc/13/77/57/163137757.db2.gz BIOYJTZYRQOXEK-UHFFFAOYSA-N 1 2 349.309 2.305 10 5 EEBELO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@]2(CCOC2)O1 ZINC000374018326 167003924 /nfs/dbraw/zinc/00/39/24/167003924.db2.gz NOLGTVPXGSOPFS-WBVHZDCISA-N 1 2 336.388 2.373 10 5 EEBELO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@]2(CCOC2)O1 ZINC000374018326 167003929 /nfs/dbraw/zinc/00/39/29/167003929.db2.gz NOLGTVPXGSOPFS-WBVHZDCISA-N 1 2 336.388 2.373 10 5 EEBELO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C2CC2)CC1 ZINC000279537791 269286035 /nfs/dbraw/zinc/28/60/35/269286035.db2.gz RWHMTOPESUFKSR-UHFFFAOYSA-N 1 2 339.779 2.319 10 5 EEBELO COC(=O)/C=C/c1ccc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000302745022 311547627 /nfs/dbraw/zinc/54/76/27/311547627.db2.gz FITSFELPVFRDAD-QPJJXVBHSA-N 1 2 328.328 2.370 10 5 EEBELO CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000425406234 314388123 /nfs/dbraw/zinc/38/81/23/314388123.db2.gz MEDFRAHEARTGAD-MRXNPFEDSA-N 1 2 346.431 2.116 10 5 EEBELO CC(C)(C)N1CC[C@H]([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000425406233 314388550 /nfs/dbraw/zinc/38/85/50/314388550.db2.gz MEDFRAHEARTGAD-INIZCTEOSA-N 1 2 346.431 2.116 10 5 EEBELO COc1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000439450903 315078732 /nfs/dbraw/zinc/07/87/32/315078732.db2.gz LAXZORCEHQXYBQ-DZGCQCFKSA-N 1 2 334.372 2.173 10 5 EEBELO COc1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)ccc1[N+](=O)[O-] ZINC000439450903 315078733 /nfs/dbraw/zinc/07/87/33/315078733.db2.gz LAXZORCEHQXYBQ-DZGCQCFKSA-N 1 2 334.372 2.173 10 5 EEBELO CC(C)Cn1cc[nH+]c1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000076086426 462804453 /nfs/dbraw/zinc/80/44/53/462804453.db2.gz QCVFHFMTLGLMPD-UHFFFAOYSA-N 1 2 331.376 2.447 10 5 EEBELO CCN(C)c1cc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000069702449 463307159 /nfs/dbraw/zinc/30/71/59/463307159.db2.gz RVADGOXKURLNGK-UHFFFAOYSA-N 1 2 343.387 2.174 10 5 EEBELO Cc1sc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000161384238 463428185 /nfs/dbraw/zinc/42/81/85/463428185.db2.gz IZHLEELMOWXWHQ-LLVKDONJSA-N 1 2 332.385 2.368 10 5 EEBELO Cc1ccc(N2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)nn1 ZINC000105801635 463467823 /nfs/dbraw/zinc/46/78/23/463467823.db2.gz PAUMCSVRBLBFAO-UHFFFAOYSA-N 1 2 333.417 2.467 10 5 EEBELO Cc1ccc(N2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)nn1 ZINC000105801635 463467828 /nfs/dbraw/zinc/46/78/28/463467828.db2.gz PAUMCSVRBLBFAO-UHFFFAOYSA-N 1 2 333.417 2.467 10 5 EEBELO CCCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072950900 463566392 /nfs/dbraw/zinc/56/63/92/463566392.db2.gz AFPBHTPNRYBWDO-UHFFFAOYSA-N 1 2 341.433 2.091 10 5 EEBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])CC2 ZINC000599928303 468415192 /nfs/dbraw/zinc/41/51/92/468415192.db2.gz GXZOZSMSUMDNEJ-HNNXBMFYSA-N 1 2 342.399 2.363 10 5 EEBELO O=c1[nH]nc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)o1 ZINC000295380122 464810352 /nfs/dbraw/zinc/81/03/52/464810352.db2.gz QAQSXJKFKVCXGC-UHFFFAOYSA-N 1 2 338.751 2.304 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000183347588 464853522 /nfs/dbraw/zinc/85/35/22/464853522.db2.gz VRDJZBPKOHHOBQ-LBPRGKRZSA-N 1 2 326.418 2.301 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000183347588 464853526 /nfs/dbraw/zinc/85/35/26/464853526.db2.gz VRDJZBPKOHHOBQ-LBPRGKRZSA-N 1 2 326.418 2.301 10 5 EEBELO CC(C)(C)c1nc(N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000301508355 465975972 /nfs/dbraw/zinc/97/59/72/465975972.db2.gz HRQXHFNAXNAFCF-DZGCQCFKSA-N 1 2 346.387 2.189 10 5 EEBELO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2Cc2csc([N+](=O)[O-])c2)O1 ZINC000338350896 466052003 /nfs/dbraw/zinc/05/20/03/466052003.db2.gz KSJSCLRLHXGZHS-RYDUCSDGSA-N 1 2 340.401 2.340 10 5 EEBELO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2csc([N+](=O)[O-])c2)O1 ZINC000338350896 466052005 /nfs/dbraw/zinc/05/20/05/466052005.db2.gz KSJSCLRLHXGZHS-RYDUCSDGSA-N 1 2 340.401 2.340 10 5 EEBELO O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)nc1 ZINC000346873831 466214434 /nfs/dbraw/zinc/21/44/34/466214434.db2.gz TZVHPWIBRNIAAC-UHFFFAOYSA-N 1 2 349.310 2.211 10 5 EEBELO C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000357933163 466328498 /nfs/dbraw/zinc/32/84/98/466328498.db2.gz ISSJNEUDWBBUBR-QWRGUYRKSA-N 1 2 329.360 2.236 10 5 EEBELO C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000357933163 466328506 /nfs/dbraw/zinc/32/85/06/466328506.db2.gz ISSJNEUDWBBUBR-QWRGUYRKSA-N 1 2 329.360 2.236 10 5 EEBELO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597639932 468623675 /nfs/dbraw/zinc/62/36/75/468623675.db2.gz SQIBHHBHNFUNSJ-CYBMUJFWSA-N 1 2 328.372 2.124 10 5 EEBELO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597639932 468623678 /nfs/dbraw/zinc/62/36/78/468623678.db2.gz SQIBHHBHNFUNSJ-CYBMUJFWSA-N 1 2 328.372 2.124 10 5 EEBELO Cn1cc(N2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)cn1 ZINC000599052566 469101460 /nfs/dbraw/zinc/10/14/60/469101460.db2.gz BATWQOAZYCOLNJ-UHFFFAOYSA-N 1 2 338.371 2.203 10 5 EEBELO NC(=O)N1CCC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599084336 469111124 /nfs/dbraw/zinc/11/11/24/469111124.db2.gz AUJYFOQDPSLGAX-LLVKDONJSA-N 1 2 329.360 2.346 10 5 EEBELO COCC[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596062790 469134700 /nfs/dbraw/zinc/13/47/00/469134700.db2.gz MIVADTCXMMXPHP-UHFFFAOYSA-N 1 2 329.784 2.025 10 5 EEBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCc3c1cccc3[N+](=O)[O-])CC2 ZINC000599537790 469286320 /nfs/dbraw/zinc/28/63/20/469286320.db2.gz QBWYHNQMJAJZCD-LBPRGKRZSA-N 1 2 326.356 2.251 10 5 EEBELO C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000628921690 469387465 /nfs/dbraw/zinc/38/74/65/469387465.db2.gz ROCXQPNIDBNBCI-HNNXBMFYSA-N 1 2 335.407 2.448 10 5 EEBELO C[N@H+]1CCOC[C@@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000628921690 469387468 /nfs/dbraw/zinc/38/74/68/469387468.db2.gz ROCXQPNIDBNBCI-HNNXBMFYSA-N 1 2 335.407 2.448 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000729343739 576634763 /nfs/dbraw/zinc/63/47/63/576634763.db2.gz ZIFPXLOGTWSPJK-CQSZACIVSA-N 1 2 331.376 2.339 10 5 EEBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000898495379 693340652 /nfs/dbraw/zinc/34/06/52/693340652.db2.gz REEZDZKVDWJQJZ-GFCCVEGCSA-N 1 2 329.759 2.412 10 5 EEBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000898495379 693340657 /nfs/dbraw/zinc/34/06/57/693340657.db2.gz REEZDZKVDWJQJZ-GFCCVEGCSA-N 1 2 329.759 2.412 10 5 EEBELO CC[C@H](C[NH+]1CCOCC1)NC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000928638623 1206405235 /nfs/dbraw/zinc/40/52/35/1206405235.db2.gz AFDTXHWOCCRRBP-OBEJXRGXSA-N 1 2 347.415 2.225 10 5 EEBELO O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(N3CCc4[nH+]c[nH]c4C3)c2c1 ZINC001186633341 1279182828 /nfs/dbraw/zinc/18/28/28/1279182828.db2.gz RDOQSXMLWOOBIF-UHFFFAOYSA-N 1 2 340.299 2.337 10 5 EEBELO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1Br ZINC000839734162 1315239256 /nfs/dbraw/zinc/23/92/56/1315239256.db2.gz QXNYUGFIELEBCR-ZYHUDNBSSA-N 1 2 342.193 2.114 10 5 EEBELO CC[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001294210806 1328930708 /nfs/dbraw/zinc/93/07/08/1328930708.db2.gz OGOZBTGIXKYMEL-SJORKVTESA-N 1 2 347.415 2.326 10 5 EEBELO CC[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)[N@H+]1CCO[C@H](CC)C1 ZINC001294210806 1328930711 /nfs/dbraw/zinc/93/07/11/1328930711.db2.gz OGOZBTGIXKYMEL-SJORKVTESA-N 1 2 347.415 2.326 10 5 EEBELO CC(F)(F)CN1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001648433029 1353429688 /nfs/dbraw/zinc/42/96/88/1353429688.db2.gz HBFWREIOGHHVII-UHFFFAOYSA-N 1 2 329.347 2.246 10 5 EEBELO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])c1 ZINC001175185112 798028399 /nfs/dbraw/zinc/02/83/99/798028399.db2.gz UGKWZAUAVMXBNY-NSHDSACASA-N 1 2 347.375 2.094 10 5 EEBELO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])c1 ZINC001175185112 798028405 /nfs/dbraw/zinc/02/84/05/798028405.db2.gz UGKWZAUAVMXBNY-NSHDSACASA-N 1 2 347.375 2.094 10 5 EEBELO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])c1 ZINC001175185103 798028541 /nfs/dbraw/zinc/02/85/41/798028541.db2.gz UGKWZAUAVMXBNY-LLVKDONJSA-N 1 2 347.375 2.094 10 5 EEBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2c[nH]nc2C)c([N+](=O)[O-])c1 ZINC001175185103 798028548 /nfs/dbraw/zinc/02/85/48/798028548.db2.gz UGKWZAUAVMXBNY-LLVKDONJSA-N 1 2 347.375 2.094 10 5 EEBELO Cn1cc(C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC001473639631 1110577844 /nfs/dbraw/zinc/57/78/44/1110577844.db2.gz QOKLPMDZGMYEDK-UHFFFAOYSA-N 1 2 341.412 2.063 10 5 EEBELO Cn1cc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])n1 ZINC001473639631 1110577845 /nfs/dbraw/zinc/57/78/45/1110577845.db2.gz QOKLPMDZGMYEDK-UHFFFAOYSA-N 1 2 341.412 2.063 10 5 EEBELO O=C(NCCc1ccco1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001521137779 1119214822 /nfs/dbraw/zinc/21/48/22/1119214822.db2.gz ZXLCTACYZMADOR-UHFFFAOYSA-N 1 2 326.312 2.346 10 5 EEBELO CCOC(=O)C1(O)CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000267368669 256053301 /nfs/dbraw/zinc/05/33/01/256053301.db2.gz DQAHZGYHPSBEQD-UHFFFAOYSA-N 1 2 342.779 2.138 10 5 EEBELO C[NH+](C)CCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531358 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QTIDSQAMTVDINL-UHFFFAOYSA-N 1 2 345.359 2.386 10 5 EEBELO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000364797100 165276520 /nfs/dbraw/zinc/27/65/20/165276520.db2.gz KEMZLZYPMRMXRQ-INIZCTEOSA-N 1 2 339.355 2.471 10 5 EEBELO O=[N+]([O-])c1cc(Cl)c(N2CC[NH+](CCCO)CC2)c(Cl)c1 ZINC000123067352 222208997 /nfs/dbraw/zinc/20/89/97/222208997.db2.gz QAGGFDBYIZHJFM-UHFFFAOYSA-N 1 2 334.203 2.406 10 5 EEBELO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173976697 464342541 /nfs/dbraw/zinc/34/25/41/464342541.db2.gz OMAQFTTWHBJYRR-ZDUSSCGKSA-N 1 2 328.372 2.054 10 5 EEBELO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000157351853 463121888 /nfs/dbraw/zinc/12/18/88/463121888.db2.gz MTZHSFDYMHPLAI-UHFFFAOYSA-N 1 2 334.401 2.473 10 5 EEBELO Cc1cnc(CC[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000157351853 463121892 /nfs/dbraw/zinc/12/18/92/463121892.db2.gz MTZHSFDYMHPLAI-UHFFFAOYSA-N 1 2 334.401 2.473 10 5 EEBELO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1csc([N+](=O)[O-])c1 ZINC000159031836 463264791 /nfs/dbraw/zinc/26/47/91/463264791.db2.gz LJWUIPYDKCEXDY-UHFFFAOYSA-N 1 2 345.380 2.384 10 5 EEBELO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1csc([N+](=O)[O-])c1 ZINC000159031836 463264796 /nfs/dbraw/zinc/26/47/96/463264796.db2.gz LJWUIPYDKCEXDY-UHFFFAOYSA-N 1 2 345.380 2.384 10 5 EEBELO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178836244 463987715 /nfs/dbraw/zinc/98/77/15/463987715.db2.gz YGWAJBYCFBILOP-GFCCVEGCSA-N 1 2 349.387 2.197 10 5 EEBELO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000178836244 463987721 /nfs/dbraw/zinc/98/77/21/463987721.db2.gz YGWAJBYCFBILOP-GFCCVEGCSA-N 1 2 349.387 2.197 10 5 EEBELO CN(C)C(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000283845562 464029030 /nfs/dbraw/zinc/02/90/30/464029030.db2.gz DDJIDWCCYZARGM-UHFFFAOYSA-N 1 2 327.331 2.173 10 5 EEBELO O=C(CC[N@@H+]1CCOC[C@@H]1CC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000286601637 464974981 /nfs/dbraw/zinc/97/49/81/464974981.db2.gz WORCMJACYZSTOZ-NSHDSACASA-N 1 2 343.330 2.279 10 5 EEBELO O=C(CC[N@H+]1CCOC[C@@H]1CC(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000286601637 464974985 /nfs/dbraw/zinc/97/49/85/464974985.db2.gz WORCMJACYZSTOZ-NSHDSACASA-N 1 2 343.330 2.279 10 5 EEBELO Cc1nc(F)ccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295902709 465001179 /nfs/dbraw/zinc/00/11/79/465001179.db2.gz CSXQNFTULVVSAA-UHFFFAOYSA-N 1 2 331.351 2.155 10 5 EEBELO COc1ccc(F)cc1C[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340151302 465819299 /nfs/dbraw/zinc/81/92/99/465819299.db2.gz AGIKGERBGWRVBN-UHFFFAOYSA-N 1 2 346.362 2.460 10 5 EEBELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000354247923 466414910 /nfs/dbraw/zinc/41/49/10/466414910.db2.gz OEVHRNBUJOHYJH-UHFFFAOYSA-N 1 2 348.790 2.364 10 5 EEBELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000354247923 466414918 /nfs/dbraw/zinc/41/49/18/466414918.db2.gz OEVHRNBUJOHYJH-UHFFFAOYSA-N 1 2 348.790 2.364 10 5 EEBELO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCCc3n[nH]cc3C1)OCCO2 ZINC000597258480 468499118 /nfs/dbraw/zinc/49/91/18/468499118.db2.gz NQCLKTKHMLAZJI-UHFFFAOYSA-N 1 2 330.344 2.038 10 5 EEBELO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCCc3n[nH]cc3C1)OCCO2 ZINC000597258480 468499121 /nfs/dbraw/zinc/49/91/21/468499121.db2.gz NQCLKTKHMLAZJI-UHFFFAOYSA-N 1 2 330.344 2.038 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000373936934 466974502 /nfs/dbraw/zinc/97/45/02/466974502.db2.gz HPORCZCKLZTSMH-GFCCVEGCSA-N 1 2 344.371 2.069 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000373936934 466974505 /nfs/dbraw/zinc/97/45/05/466974505.db2.gz HPORCZCKLZTSMH-GFCCVEGCSA-N 1 2 344.371 2.069 10 5 EEBELO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000450897055 467200123 /nfs/dbraw/zinc/20/01/23/467200123.db2.gz PVOZZLOTVGESMF-NSHDSACASA-N 1 2 334.332 2.072 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000450897055 467200128 /nfs/dbraw/zinc/20/01/28/467200128.db2.gz PVOZZLOTVGESMF-NSHDSACASA-N 1 2 334.332 2.072 10 5 EEBELO COc1cc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)ccc1[N+](=O)[O-] ZINC000450897055 467200137 /nfs/dbraw/zinc/20/01/37/467200137.db2.gz PVOZZLOTVGESMF-NSHDSACASA-N 1 2 334.332 2.072 10 5 EEBELO Cn1cc[nH+]c1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445181545 467584285 /nfs/dbraw/zinc/58/42/85/467584285.db2.gz MICPCGHVSUKLOT-UHFFFAOYSA-N 1 2 332.363 2.345 10 5 EEBELO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000519074185 468139931 /nfs/dbraw/zinc/13/99/31/468139931.db2.gz VSZDCUXLEQCLJC-ZDUSSCGKSA-N 1 2 345.403 2.404 10 5 EEBELO Cc1c(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1C ZINC000519074185 468139935 /nfs/dbraw/zinc/13/99/35/468139935.db2.gz VSZDCUXLEQCLJC-ZDUSSCGKSA-N 1 2 345.403 2.404 10 5 EEBELO COCc1n[nH]c(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000595068397 468752524 /nfs/dbraw/zinc/75/25/24/468752524.db2.gz OLDPLZUVJOEWEG-CQSZACIVSA-N 1 2 331.376 2.417 10 5 EEBELO O=C1CC[C@@H]2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC[C@@H]2N1 ZINC000599107261 469121452 /nfs/dbraw/zinc/12/14/52/469121452.db2.gz MJYOTYQPMVVRKE-OCCSQVGLSA-N 1 2 326.356 2.248 10 5 EEBELO CCn1c(C)nc([N+](=O)[O-])c1NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000599147101 469136450 /nfs/dbraw/zinc/13/64/50/469136450.db2.gz GRVRATJOMGFESO-UHFFFAOYSA-N 1 2 347.423 2.865 10 5 EEBELO Cc1cn2c([nH+]1)C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)CC2 ZINC000599717158 469347704 /nfs/dbraw/zinc/34/77/04/469347704.db2.gz DBZAFRDNUNYDII-CQSZACIVSA-N 1 2 328.372 2.021 10 5 EEBELO CC(=CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000752616958 577773726 /nfs/dbraw/zinc/77/37/26/577773726.db2.gz NQCYMOKMNSXWRE-ZWXCPPHNSA-N 1 2 326.356 2.395 10 5 EEBELO CC(=CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000752616958 577773727 /nfs/dbraw/zinc/77/37/27/577773727.db2.gz NQCYMOKMNSXWRE-ZWXCPPHNSA-N 1 2 326.356 2.395 10 5 EEBELO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000923892214 693202402 /nfs/dbraw/zinc/20/24/02/693202402.db2.gz VRVOYUYERJXGNF-CQSZACIVSA-N 1 2 338.335 2.333 10 5 EEBELO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000923892214 693202405 /nfs/dbraw/zinc/20/24/05/693202405.db2.gz VRVOYUYERJXGNF-CQSZACIVSA-N 1 2 338.335 2.333 10 5 EEBELO COc1cc2c(cc1OC)CC[NH+](Cn1cc([N+](=O)[O-])c(C)n1)CC2 ZINC000779858426 1211605087 /nfs/dbraw/zinc/60/50/87/1211605087.db2.gz CYCFJSOFQUJATM-UHFFFAOYSA-N 1 2 346.387 2.175 10 5 EEBELO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001154301793 1317055695 /nfs/dbraw/zinc/05/56/95/1317055695.db2.gz RWNSVRJDDRYSQP-CVEARBPZSA-N 1 2 349.431 2.409 10 5 EEBELO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[N@H+]1CCO[C@H](CC)C1 ZINC001154301793 1317055704 /nfs/dbraw/zinc/05/57/04/1317055704.db2.gz RWNSVRJDDRYSQP-CVEARBPZSA-N 1 2 349.431 2.409 10 5 EEBELO O=C(NC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC001159427521 1319795914 /nfs/dbraw/zinc/79/59/14/1319795914.db2.gz ULKRFVMEVJUZDK-UHFFFAOYSA-N 1 2 342.355 2.094 10 5 EEBELO CC(C)(CNC(=O)CCNc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001301547307 1331302672 /nfs/dbraw/zinc/30/26/72/1331302672.db2.gz IPNNWTIHBHUXPV-UHFFFAOYSA-N 1 2 331.376 2.145 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1c[nH]nc1C ZINC001647970227 1353412086 /nfs/dbraw/zinc/41/20/86/1353412086.db2.gz CJBTYQCZPDIPAR-NSHDSACASA-N 1 2 347.375 2.094 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1c[nH]nc1C ZINC001647970227 1353412089 /nfs/dbraw/zinc/41/20/89/1353412089.db2.gz CJBTYQCZPDIPAR-NSHDSACASA-N 1 2 347.375 2.094 10 5 EEBELO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001655696201 1354182305 /nfs/dbraw/zinc/18/23/05/1354182305.db2.gz XNWOOWRUJVFJAK-ZLKJLUDKSA-N 1 2 348.359 2.099 10 5 EEBELO C[N@@H+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000919597054 770073800 /nfs/dbraw/zinc/07/38/00/770073800.db2.gz AODBIPNKCINEKJ-LLVKDONJSA-N 1 2 347.462 2.007 10 5 EEBELO C[N@H+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000919597054 770073815 /nfs/dbraw/zinc/07/38/15/770073815.db2.gz AODBIPNKCINEKJ-LLVKDONJSA-N 1 2 347.462 2.007 10 5 EEBELO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817288822 784630831 /nfs/dbraw/zinc/63/08/31/784630831.db2.gz NQPHPQSDVLIBRP-MWLCHTKSSA-N 1 2 327.768 2.032 10 5 EEBELO C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000817288822 784630835 /nfs/dbraw/zinc/63/08/35/784630835.db2.gz NQPHPQSDVLIBRP-MWLCHTKSSA-N 1 2 327.768 2.032 10 5 EEBELO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CC)C1 ZINC001136811264 788019033 /nfs/dbraw/zinc/01/90/33/788019033.db2.gz BKBMDKXJPFNPAO-CVEARBPZSA-N 1 2 335.404 2.100 10 5 EEBELO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CC)C1 ZINC001136811264 788019044 /nfs/dbraw/zinc/01/90/44/788019044.db2.gz 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ZINC000364450745 165139638 /nfs/dbraw/zinc/13/96/38/165139638.db2.gz YOXCVXYRHKHKIP-GFCCVEGCSA-N 1 2 327.178 2.314 10 5 EEBELO CCC[C@@H](C)[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000515858135 316522357 /nfs/dbraw/zinc/52/23/57/316522357.db2.gz KSWVHVAMAYJYEG-TZMCWYRMSA-N 1 2 346.387 2.307 10 5 EEBELO O=C(NCCOCC1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000564642445 319097023 /nfs/dbraw/zinc/09/70/23/319097023.db2.gz DYNXJBRTRPZOLW-UHFFFAOYSA-N 1 2 344.371 2.327 10 5 EEBELO Cc1cc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)ccc1F ZINC000128923032 462680576 /nfs/dbraw/zinc/68/05/76/462680576.db2.gz PHEBUTUTJGRUMV-MRXNPFEDSA-N 1 2 334.351 2.312 10 5 EEBELO Cc1cc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)ccc1F ZINC000128923032 462680581 /nfs/dbraw/zinc/68/05/81/462680581.db2.gz PHEBUTUTJGRUMV-MRXNPFEDSA-N 1 2 334.351 2.312 10 5 EEBELO O=C(NCc1[nH+]ccn1CC(F)(F)F)c1ccc([N+](=O)[O-])s1 ZINC000075711603 462751294 /nfs/dbraw/zinc/75/12/94/462751294.db2.gz WCNVADRJYJSNTA-UHFFFAOYSA-N 1 2 334.279 2.345 10 5 EEBELO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000105863937 463480600 /nfs/dbraw/zinc/48/06/00/463480600.db2.gz LUOPCHTYSGNJRH-GFCCVEGCSA-N 1 2 331.376 2.165 10 5 EEBELO O=C(NCCC1(CO)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000593875307 468416667 /nfs/dbraw/zinc/41/66/67/468416667.db2.gz JSVYFTQLTUYKLJ-UHFFFAOYSA-N 1 2 344.371 2.063 10 5 EEBELO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000192008794 464848040 /nfs/dbraw/zinc/84/80/40/464848040.db2.gz SUPQDIRPHONUTH-LBPRGKRZSA-N 1 2 339.367 2.105 10 5 EEBELO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000192008794 464848046 /nfs/dbraw/zinc/84/80/46/464848046.db2.gz SUPQDIRPHONUTH-LBPRGKRZSA-N 1 2 339.367 2.105 10 5 EEBELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000192008794 464848054 /nfs/dbraw/zinc/84/80/54/464848054.db2.gz SUPQDIRPHONUTH-LBPRGKRZSA-N 1 2 339.367 2.105 10 5 EEBELO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000192008794 464848062 /nfs/dbraw/zinc/84/80/62/464848062.db2.gz SUPQDIRPHONUTH-LBPRGKRZSA-N 1 2 339.367 2.105 10 5 EEBELO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371359634 465742423 /nfs/dbraw/zinc/74/24/23/465742423.db2.gz KTDGSDSELXAHHQ-LLVKDONJSA-N 1 2 339.355 2.015 10 5 EEBELO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371359634 465742432 /nfs/dbraw/zinc/74/24/32/465742432.db2.gz KTDGSDSELXAHHQ-LLVKDONJSA-N 1 2 339.355 2.015 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000299655983 465845356 /nfs/dbraw/zinc/84/53/56/465845356.db2.gz PNCRUNBBOZGYOJ-UHFFFAOYSA-N 1 2 340.383 2.256 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000299685117 465855662 /nfs/dbraw/zinc/85/56/62/465855662.db2.gz XQMQRQUWDOZTSI-UHFFFAOYSA-N 1 2 326.356 2.261 10 5 EEBELO Cc1cc(NCCCn2ccnn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302184386 466114621 /nfs/dbraw/zinc/11/46/21/466114621.db2.gz STRYZMCYDAUTTE-UHFFFAOYSA-N 1 2 339.359 2.454 10 5 EEBELO COC[C@]1(C(=O)OC)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000597219345 468483404 /nfs/dbraw/zinc/48/34/04/468483404.db2.gz BEPOMVZQOIUHPH-AFCDSYGPSA-N 1 2 334.372 2.262 10 5 EEBELO COC[C@]1(C(=O)OC)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000597219345 468483409 /nfs/dbraw/zinc/48/34/09/468483409.db2.gz BEPOMVZQOIUHPH-AFCDSYGPSA-N 1 2 334.372 2.262 10 5 EEBELO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000338926801 466490989 /nfs/dbraw/zinc/49/09/89/466490989.db2.gz WLHJOSGFOSYCBD-UHFFFAOYSA-N 1 2 329.356 2.292 10 5 EEBELO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000338926801 466490997 /nfs/dbraw/zinc/49/09/97/466490997.db2.gz WLHJOSGFOSYCBD-UHFFFAOYSA-N 1 2 329.356 2.292 10 5 EEBELO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363609037 466505487 /nfs/dbraw/zinc/50/54/87/466505487.db2.gz NTFPNBDXXGSXGF-UHFFFAOYSA-N 1 2 343.387 2.450 10 5 EEBELO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363609037 466505495 /nfs/dbraw/zinc/50/54/95/466505495.db2.gz NTFPNBDXXGSXGF-UHFFFAOYSA-N 1 2 343.387 2.450 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000363707041 466572718 /nfs/dbraw/zinc/57/27/18/466572718.db2.gz ADIJCOBLZMTZKB-GFCCVEGCSA-N 1 2 329.360 2.386 10 5 EEBELO O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000370140715 466774380 /nfs/dbraw/zinc/77/43/80/466774380.db2.gz CIQMTIHGLRZBRX-UHFFFAOYSA-N 1 2 333.388 2.248 10 5 EEBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000378205488 467228155 /nfs/dbraw/zinc/22/81/55/467228155.db2.gz WREXWRFCZZQVTI-LBPRGKRZSA-N 1 2 341.371 2.180 10 5 EEBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000378205488 467228158 /nfs/dbraw/zinc/22/81/58/467228158.db2.gz WREXWRFCZZQVTI-LBPRGKRZSA-N 1 2 341.371 2.180 10 5 EEBELO CCC(=O)N[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000434838201 467432116 /nfs/dbraw/zinc/43/21/16/467432116.db2.gz JPLIBXNPMDGROM-NSHDSACASA-N 1 2 332.360 2.227 10 5 EEBELO CCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000434838201 467432119 /nfs/dbraw/zinc/43/21/19/467432119.db2.gz JPLIBXNPMDGROM-NSHDSACASA-N 1 2 332.360 2.227 10 5 EEBELO COC(=O)c1ccnc(NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000598598171 468927618 /nfs/dbraw/zinc/92/76/18/468927618.db2.gz BGSQMRZICUKAIO-UHFFFAOYSA-N 1 2 333.348 2.241 10 5 EEBELO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])c1 ZINC000595669760 468947298 /nfs/dbraw/zinc/94/72/98/468947298.db2.gz ZQWROUHVHFOXSY-VIFPVBQESA-N 1 2 336.373 2.349 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759572 468993945 /nfs/dbraw/zinc/99/39/45/468993945.db2.gz WXSLJIAHKOSNOB-HFBDOXOYSA-N 1 2 339.779 2.032 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759572 468993950 /nfs/dbraw/zinc/99/39/50/468993950.db2.gz WXSLJIAHKOSNOB-HFBDOXOYSA-N 1 2 339.779 2.032 10 5 EEBELO CC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC000599058895 469102245 /nfs/dbraw/zinc/10/22/45/469102245.db2.gz WHQAITFWNIKOSO-UHFFFAOYSA-N 1 2 335.385 2.156 10 5 EEBELO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)nc1 ZINC000599180685 469152052 /nfs/dbraw/zinc/15/20/52/469152052.db2.gz XMYQANSDHQQNLI-UHFFFAOYSA-N 1 2 338.371 2.188 10 5 EEBELO COC(=O)c1c(Cl)c(-n2c[nH+]c(CCCO)c2)ccc1[N+](=O)[O-] ZINC000596124238 469166540 /nfs/dbraw/zinc/16/65/40/469166540.db2.gz UKIFRQWPABCWNM-UHFFFAOYSA-N 1 2 339.735 2.145 10 5 EEBELO COC(=O)c1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)nc1 ZINC000599443080 469258445 /nfs/dbraw/zinc/25/84/45/469258445.db2.gz COUKMGZTMVIIOD-UHFFFAOYSA-N 1 2 345.355 2.417 10 5 EEBELO COC(=O)c1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)nc1 ZINC000599443080 469258450 /nfs/dbraw/zinc/25/84/50/469258450.db2.gz COUKMGZTMVIIOD-UHFFFAOYSA-N 1 2 345.355 2.417 10 5 EEBELO Cn1ccnc1[C@H]([NH2+]CC1(C)OCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000754152916 577801252 /nfs/dbraw/zinc/80/12/52/577801252.db2.gz APZUZFKFIQFLPO-OAHLLOKOSA-N 1 2 346.387 2.160 10 5 EEBELO O=[N+]([O-])c1nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1Br ZINC000756887033 577852429 /nfs/dbraw/zinc/85/24/29/577852429.db2.gz MMIBGIGZAWSOCU-MWLCHTKSSA-N 1 2 345.197 2.012 10 5 EEBELO O=[N+]([O-])c1nn(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1Br ZINC000756887033 577852430 /nfs/dbraw/zinc/85/24/30/577852430.db2.gz MMIBGIGZAWSOCU-MWLCHTKSSA-N 1 2 345.197 2.012 10 5 EEBELO Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001168349414 1188318536 /nfs/dbraw/zinc/31/85/36/1188318536.db2.gz KVJXIIQNDXESNF-NSHDSACASA-N 1 2 346.368 2.006 10 5 EEBELO CC1(C)[C@H]2[C@H](CCC[N@@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1O ZINC000872258699 1198116423 /nfs/dbraw/zinc/11/64/23/1198116423.db2.gz WKBHTSBMOGRJCG-XZJROXQQSA-N 1 2 333.388 2.015 10 5 EEBELO CC1(C)[C@H]2[C@H](CCC[N@H+]2CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1O ZINC000872258699 1198116430 /nfs/dbraw/zinc/11/64/30/1198116430.db2.gz WKBHTSBMOGRJCG-XZJROXQQSA-N 1 2 333.388 2.015 10 5 EEBELO CC[C@@H](C[NH+]1CCOCC1)NC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000928645648 1206406653 /nfs/dbraw/zinc/40/66/53/1206406653.db2.gz ZZZMLAPFUITDPV-GRNBYLDVSA-N 1 2 347.415 2.225 10 5 EEBELO C/C(=C\C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000901328369 1235554110 /nfs/dbraw/zinc/55/41/10/1235554110.db2.gz FDZPIZYJBIPBNL-YPDDLIOESA-N 1 2 333.388 2.051 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801566350 1235845821 /nfs/dbraw/zinc/84/58/21/1235845821.db2.gz BCIZPLQHPLOQQG-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801566350 1235845829 /nfs/dbraw/zinc/84/58/29/1235845829.db2.gz BCIZPLQHPLOQQG-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO COc1cc(C[N@H+](C)C2CCS(=O)CC2)c([N+](=O)[O-])cc1F ZINC001191602236 1281514306 /nfs/dbraw/zinc/51/43/06/1281514306.db2.gz 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CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001638296801 1352687066 /nfs/dbraw/zinc/68/70/66/1352687066.db2.gz SWDCJTYNIBLNDB-LBPRGKRZSA-N 1 2 344.375 2.191 10 5 EEBELO CNc1cc(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC001685725507 1358340487 /nfs/dbraw/zinc/34/04/87/1358340487.db2.gz DDIDUIPWFVXJDU-UHFFFAOYSA-N 1 2 341.371 2.299 10 5 EEBELO CN(CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001455153905 1108262939 /nfs/dbraw/zinc/26/29/39/1108262939.db2.gz NGQOJSCULLLFGT-UHFFFAOYSA-N 1 2 332.335 2.385 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000054545708 214243848 /nfs/dbraw/zinc/24/38/48/214243848.db2.gz FLCJJXOAGAQLIH-JKSUJKDBSA-N 1 2 343.387 2.454 10 5 EEBELO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000054545708 214243851 /nfs/dbraw/zinc/24/38/51/214243851.db2.gz FLCJJXOAGAQLIH-JKSUJKDBSA-N 1 2 343.387 2.454 10 5 EEBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000067336560 215134460 /nfs/dbraw/zinc/13/44/60/215134460.db2.gz IYUQKUCERLSYSL-LBPRGKRZSA-N 1 2 335.429 2.382 10 5 EEBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000067336562 215134954 /nfs/dbraw/zinc/13/49/54/215134954.db2.gz IYUQKUCERLSYSL-GFCCVEGCSA-N 1 2 335.429 2.382 10 5 EEBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC000191792144 256006721 /nfs/dbraw/zinc/00/67/21/256006721.db2.gz RBIIMZFIZZAPNV-UHFFFAOYSA-N 1 2 326.316 2.454 10 5 EEBELO Cc1nc(N2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)cc[nH+]1 ZINC000273513204 256302658 /nfs/dbraw/zinc/30/26/58/256302658.db2.gz QIGYINHJNUSOGT-UHFFFAOYSA-N 1 2 334.767 2.068 10 5 EEBELO CC(C)(C(=O)N1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000273995147 256344409 /nfs/dbraw/zinc/34/44/09/256344409.db2.gz YJQNNKTYGQNNMX-UHFFFAOYSA-N 1 2 335.379 2.318 10 5 EEBELO C[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000376059750 296538865 /nfs/dbraw/zinc/53/88/65/296538865.db2.gz 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COc1cc(C[NH+]2CCN(c3nc(C)ns3)CC2)ccc1[N+](=O)[O-] ZINC000352765873 162279351 /nfs/dbraw/zinc/27/93/51/162279351.db2.gz ABLLGESLYZFTCR-UHFFFAOYSA-N 1 2 349.416 2.086 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000292081836 275373302 /nfs/dbraw/zinc/37/33/02/275373302.db2.gz FUAXPDXKFYPMIU-GFCCVEGCSA-N 1 2 326.418 2.412 10 5 EEBELO Cc1cccc2[nH+]c(CNc3ccc([N+](=O)[O-])cc3C(N)=O)cn21 ZINC000301214225 294834232 /nfs/dbraw/zinc/83/42/32/294834232.db2.gz YFXFIWNQRFCDQJ-UHFFFAOYSA-N 1 2 325.328 2.262 10 5 EEBELO Cc1c(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000577347105 320249836 /nfs/dbraw/zinc/24/98/36/320249836.db2.gz AGVREGZWKZQKCY-LBPRGKRZSA-N 1 2 331.376 2.096 10 5 EEBELO Cc1c(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000577347105 320249837 /nfs/dbraw/zinc/24/98/37/320249837.db2.gz AGVREGZWKZQKCY-LBPRGKRZSA-N 1 2 331.376 2.096 10 5 EEBELO O=[N+]([O-])c1cnc2ccc(Nc3ccc(N4CCCCC4)[nH+]c3)nn21 ZINC000347872405 465277679 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ZINC000589514333 468158134 /nfs/dbraw/zinc/15/81/34/468158134.db2.gz XISBFTHHPYBWFH-MEDUHNTESA-N 1 2 334.372 2.381 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000589514333 468158140 /nfs/dbraw/zinc/15/81/40/468158140.db2.gz XISBFTHHPYBWFH-MEDUHNTESA-N 1 2 334.372 2.381 10 5 EEBELO Cc1nc(N)c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c[nH+]1 ZINC000560501496 468820714 /nfs/dbraw/zinc/82/07/14/468820714.db2.gz AJYSMQHWYSRZHH-UHFFFAOYSA-N 1 2 343.368 2.420 10 5 EEBELO O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601648889 468950497 /nfs/dbraw/zinc/95/04/97/468950497.db2.gz LGQQDJYXPHSFNS-CQSZACIVSA-N 1 2 340.383 2.344 10 5 EEBELO COC(=O)c1cc(C)nc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000587866563 469096720 /nfs/dbraw/zinc/09/67/20/469096720.db2.gz CFQXCHBIHKRQER-GFCCVEGCSA-N 1 2 345.359 2.123 10 5 EEBELO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000898499588 693337796 /nfs/dbraw/zinc/33/77/96/693337796.db2.gz QMZUGQYPPDVXJE-NEPJUHHUSA-N 1 2 341.358 2.388 10 5 EEBELO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000898499588 693337800 /nfs/dbraw/zinc/33/78/00/693337800.db2.gz QMZUGQYPPDVXJE-NEPJUHHUSA-N 1 2 341.358 2.388 10 5 EEBELO COc1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)cc1[N+](=O)[O-] ZINC000872265523 1198119373 /nfs/dbraw/zinc/11/93/73/1198119373.db2.gz QWCPIDLWALBDCZ-UHFFFAOYSA-N 1 2 328.372 2.450 10 5 EEBELO COc1ccc(C[N@H+]2CCN(C)c3ncccc3C2)cc1[N+](=O)[O-] ZINC000872265523 1198119376 /nfs/dbraw/zinc/11/93/76/1198119376.db2.gz QWCPIDLWALBDCZ-UHFFFAOYSA-N 1 2 328.372 2.450 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852128858 1292003466 /nfs/dbraw/zinc/00/34/66/1292003466.db2.gz BWKZNCRKXIMCLD-GFCCVEGCSA-N 1 2 331.351 2.407 10 5 EEBELO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858501106 1294135420 /nfs/dbraw/zinc/13/54/20/1294135420.db2.gz XJTYVXQCCPJFNC-ZDUSSCGKSA-N 1 2 343.383 2.199 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC001150594212 1316309653 /nfs/dbraw/zinc/30/96/53/1316309653.db2.gz YAWOFNAUUYZQSW-IAQYHMDHSA-N 1 2 329.360 2.218 10 5 EEBELO Cn1cc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC001161970130 1320700846 /nfs/dbraw/zinc/70/08/46/1320700846.db2.gz DSGGPAZPAUECHE-UHFFFAOYSA-N 1 2 335.795 2.304 10 5 EEBELO COCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001323760755 1333532929 /nfs/dbraw/zinc/53/29/29/1333532929.db2.gz KYCRHJOYCAIFIG-CALCHBBNSA-N 1 2 347.415 2.197 10 5 EEBELO COCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001323760755 1333532932 /nfs/dbraw/zinc/53/29/32/1333532932.db2.gz KYCRHJOYCAIFIG-CALCHBBNSA-N 1 2 347.415 2.197 10 5 EEBELO Nc1c(Cl)cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC001585065875 1348776908 /nfs/dbraw/zinc/77/69/08/1348776908.db2.gz LWLJAJRIGFUMIA-UHFFFAOYSA-N 1 2 348.746 2.129 10 5 EEBELO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC001648154471 1353419250 /nfs/dbraw/zinc/41/92/50/1353419250.db2.gz LXOBCWFVHYCNJW-LLVKDONJSA-N 1 2 346.391 2.289 10 5 EEBELO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC001660284222 1354431144 /nfs/dbraw/zinc/43/11/44/1354431144.db2.gz SARIYZRBEQFVNU-CHWSQXEVSA-N 1 2 349.387 2.115 10 5 EEBELO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC001660284222 1354431145 /nfs/dbraw/zinc/43/11/45/1354431145.db2.gz SARIYZRBEQFVNU-CHWSQXEVSA-N 1 2 349.387 2.115 10 5 EEBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844759200 789353899 /nfs/dbraw/zinc/35/38/99/789353899.db2.gz YLCDZWIERQNEIJ-CYBMUJFWSA-N 1 2 325.271 2.191 10 5 EEBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844759200 789353903 /nfs/dbraw/zinc/35/39/03/789353903.db2.gz YLCDZWIERQNEIJ-CYBMUJFWSA-N 1 2 325.271 2.191 10 5 EEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804333979 803922678 /nfs/dbraw/zinc/92/26/78/803922678.db2.gz USGCVOKVZHYFMU-CEFACKQISA-N 1 2 326.356 2.326 10 5 EEBELO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC001197305063 1126154265 /nfs/dbraw/zinc/15/42/65/1126154265.db2.gz VKIBWTAQCVFXRQ-SFHVURJKSA-N 1 2 346.383 2.392 10 5 EEBELO Cc1cnn(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001461507116 1110344022 /nfs/dbraw/zinc/34/40/22/1110344022.db2.gz ZPCYELVOZQWNGO-UHFFFAOYSA-N 1 2 326.316 2.075 10 5 EEBELO O=Cc1ccc(OCC(=O)Nc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC001467763262 1110463173 /nfs/dbraw/zinc/46/31/73/1110463173.db2.gz HHLDJXGOEICIED-UHFFFAOYSA-N 1 2 340.295 2.073 10 5 EEBELO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000174878807 231332028 /nfs/dbraw/zinc/33/20/28/231332028.db2.gz OJYOVBFMSLFSFF-UHFFFAOYSA-N 1 2 332.364 2.111 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000459184394 245026975 /nfs/dbraw/zinc/02/69/75/245026975.db2.gz SFNYSIGNJMRLOA-UHFFFAOYSA-N 1 2 343.387 2.245 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000249049927 160372000 /nfs/dbraw/zinc/37/20/00/160372000.db2.gz XGLYUGLQTVLFAF-OCCSQVGLSA-N 1 2 339.373 2.209 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000249049927 160372001 /nfs/dbraw/zinc/37/20/01/160372001.db2.gz XGLYUGLQTVLFAF-OCCSQVGLSA-N 1 2 339.373 2.209 10 5 EEBELO Cc1cc(N2CC[NH+](CC=Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000189020109 160134464 /nfs/dbraw/zinc/13/44/64/160134464.db2.gz OGVHVLXAFCQKPE-GQCTYLIASA-N 1 2 327.388 2.462 10 5 EEBELO CCOc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000374379718 167029705 /nfs/dbraw/zinc/02/97/05/167029705.db2.gz HYGSNSSFYMCSCH-CYBMUJFWSA-N 1 2 344.371 2.357 10 5 EEBELO COc1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280288350 269347396 /nfs/dbraw/zinc/34/73/96/269347396.db2.gz NXZPUNPYOWDXPF-KRWDZBQOSA-N 1 2 336.388 2.373 10 5 EEBELO COc1ccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280288350 269347398 /nfs/dbraw/zinc/34/73/98/269347398.db2.gz NXZPUNPYOWDXPF-KRWDZBQOSA-N 1 2 336.388 2.373 10 5 EEBELO CCc1nn(C)c(NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000288084548 275022155 /nfs/dbraw/zinc/02/21/55/275022155.db2.gz ICCMATKWRAVZHT-UHFFFAOYSA-N 1 2 327.348 2.084 10 5 EEBELO CCC[C@H](C)[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000566370606 319279869 /nfs/dbraw/zinc/27/98/69/319279869.db2.gz DXHCFHOOHFNXFL-GXTWGEPZSA-N 1 2 346.387 2.307 10 5 EEBELO O=[N+]([O-])c1ccc(Cc2noc(Cc3cn4c([nH+]3)CCCC4)n2)nc1 ZINC000351434676 465153761 /nfs/dbraw/zinc/15/37/61/465153761.db2.gz SXCVCDXZBYXRAB-UHFFFAOYSA-N 1 2 340.343 2.087 10 5 EEBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000137077616 463275867 /nfs/dbraw/zinc/27/58/67/463275867.db2.gz JGIBNTFGSHIELM-ZWKOTPCHSA-N 1 2 344.367 2.407 10 5 EEBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000137077616 463275869 /nfs/dbraw/zinc/27/58/69/463275869.db2.gz JGIBNTFGSHIELM-ZWKOTPCHSA-N 1 2 344.367 2.407 10 5 EEBELO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000069625416 463289750 /nfs/dbraw/zinc/28/97/50/463289750.db2.gz SJDCTDIBSSMSQV-UHFFFAOYSA-N 1 2 343.387 2.173 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000185734944 463869489 /nfs/dbraw/zinc/86/94/89/463869489.db2.gz NIOPXNTWMXAUGN-OWBHPGMISA-N 1 2 347.415 2.225 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000185734944 463869494 /nfs/dbraw/zinc/86/94/94/463869494.db2.gz NIOPXNTWMXAUGN-OWBHPGMISA-N 1 2 347.415 2.225 10 5 EEBELO COc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000579888927 468429240 /nfs/dbraw/zinc/42/92/40/468429240.db2.gz VCPPZERHZZXHAK-UHFFFAOYSA-N 1 2 344.371 2.447 10 5 EEBELO Cc1cc(N[C@H](C)Cn2cncn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299396006 465731036 /nfs/dbraw/zinc/73/10/36/465731036.db2.gz UQJOESMKPPPHQE-GFCCVEGCSA-N 1 2 339.359 2.452 10 5 EEBELO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000301289638 465937952 /nfs/dbraw/zinc/93/79/52/465937952.db2.gz SSWKHBWUXFZBFY-UHFFFAOYSA-N 1 2 333.779 2.360 10 5 EEBELO C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C(=O)OC(C)(C)C ZINC000425522337 467105098 /nfs/dbraw/zinc/10/50/98/467105098.db2.gz MDIXBTWGQPVSPB-TZMCWYRMSA-N 1 2 338.408 2.234 10 5 EEBELO C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1C(=O)OC(C)(C)C ZINC000425522337 467105101 /nfs/dbraw/zinc/10/51/01/467105101.db2.gz MDIXBTWGQPVSPB-TZMCWYRMSA-N 1 2 338.408 2.234 10 5 EEBELO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCN1C(=O)c1cscn1 ZINC000453569628 467497715 /nfs/dbraw/zinc/49/77/15/467497715.db2.gz AZXREVGNKRQBBH-LBPRGKRZSA-N 1 2 346.412 2.398 10 5 EEBELO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCN1C(=O)c1cscn1 ZINC000453569628 467497718 /nfs/dbraw/zinc/49/77/18/467497718.db2.gz AZXREVGNKRQBBH-LBPRGKRZSA-N 1 2 346.412 2.398 10 5 EEBELO C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H](C)[NH+]1CCOCC1 ZINC000584109923 468802090 /nfs/dbraw/zinc/80/20/90/468802090.db2.gz KOHQVJOXAHKEDG-CHWSQXEVSA-N 1 2 334.420 2.390 10 5 EEBELO O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601576043 468925364 /nfs/dbraw/zinc/92/53/64/468925364.db2.gz LNMCDXIDNWLOSY-CQSZACIVSA-N 1 2 340.383 2.344 10 5 EEBELO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595815343 469024941 /nfs/dbraw/zinc/02/49/41/469024941.db2.gz OJCASXYGPUQOFF-LBPRGKRZSA-N 1 2 333.388 2.227 10 5 EEBELO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595815343 469024945 /nfs/dbraw/zinc/02/49/45/469024945.db2.gz OJCASXYGPUQOFF-LBPRGKRZSA-N 1 2 333.388 2.227 10 5 EEBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598946637 469061285 /nfs/dbraw/zinc/06/12/85/469061285.db2.gz HSQQWMIHVSVCHH-NSHDSACASA-N 1 2 334.763 2.498 10 5 EEBELO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000610771315 469067648 /nfs/dbraw/zinc/06/76/48/469067648.db2.gz PXRHSUSZMCGERG-UHFFFAOYSA-N 1 2 342.355 2.074 10 5 EEBELO O=C(N[C@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000587045249 469084816 /nfs/dbraw/zinc/08/48/16/469084816.db2.gz KMFLINDEMUVXKL-NSHDSACASA-N 1 2 337.339 2.084 10 5 EEBELO C[N@@H+]1CCO[C@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596096330 469153547 /nfs/dbraw/zinc/15/35/47/469153547.db2.gz GLTVDCMCAAYIPP-SECBINFHSA-N 1 2 330.182 2.100 10 5 EEBELO C[N@H+]1CCO[C@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596096330 469153551 /nfs/dbraw/zinc/15/35/51/469153551.db2.gz GLTVDCMCAAYIPP-SECBINFHSA-N 1 2 330.182 2.100 10 5 EEBELO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]2(CCOC2)O1 ZINC000619516265 469630966 /nfs/dbraw/zinc/63/09/66/469630966.db2.gz SIMKIFFINONTMM-SUMWQHHRSA-N 1 2 346.387 2.241 10 5 EEBELO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]2(CCOC2)O1 ZINC000619516265 469630969 /nfs/dbraw/zinc/63/09/69/469630969.db2.gz SIMKIFFINONTMM-SUMWQHHRSA-N 1 2 346.387 2.241 10 5 EEBELO COc1cc(F)c([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000804808181 675640040 /nfs/dbraw/zinc/64/00/40/675640040.db2.gz FDDZDSIQAHOVQQ-RYUDHWBXSA-N 1 2 339.367 2.042 10 5 EEBELO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H]3Cn3cc[nH+]c3)cc2N1 ZINC000176966903 679793213 /nfs/dbraw/zinc/79/32/13/679793213.db2.gz LHBMDUVTEVBCGY-CYBMUJFWSA-N 1 2 341.371 2.345 10 5 EEBELO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927347 1198427558 /nfs/dbraw/zinc/42/75/58/1198427558.db2.gz AMPDDPJSWNQONK-LLVKDONJSA-N 1 2 340.355 2.012 10 5 EEBELO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000865927347 1198427559 /nfs/dbraw/zinc/42/75/59/1198427559.db2.gz AMPDDPJSWNQONK-LLVKDONJSA-N 1 2 340.355 2.012 10 5 EEBELO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ncc([N+](=O)[O-])cn3)C2)cc1 ZINC000866189513 1201460030 /nfs/dbraw/zinc/46/00/30/1201460030.db2.gz AEVRIBOCEBXPBV-INIZCTEOSA-N 1 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C/C(=C/C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000887398601 1204296795 /nfs/dbraw/zinc/29/67/95/1204296795.db2.gz COQZRXLTPDQLPS-QKXCFHHRSA-N 1 2 347.415 2.093 10 5 EEBELO O=C(O[C@H]1CC[N@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000802241398 1237155468 /nfs/dbraw/zinc/15/54/68/1237155468.db2.gz MOEUTRFRXSABIQ-JTQLQIEISA-N 1 2 348.277 2.397 10 5 EEBELO O=C(O[C@H]1CC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000802241398 1237155472 /nfs/dbraw/zinc/15/54/72/1237155472.db2.gz MOEUTRFRXSABIQ-JTQLQIEISA-N 1 2 348.277 2.397 10 5 EEBELO CC[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC001564376606 1342548998 /nfs/dbraw/zinc/54/89/98/1342548998.db2.gz OOEPOZYDWXUTRR-IUODEOHRSA-N 1 2 329.360 2.167 10 5 EEBELO CNc1nccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1[N+](=O)[O-] ZINC001598450253 1349939947 /nfs/dbraw/zinc/93/99/47/1349939947.db2.gz CABBOJRWCCWKQC-UHFFFAOYSA-N 1 2 326.316 2.240 10 5 EEBELO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCNC(=O)C1CCC=CCC1 ZINC001660400124 1354457738 /nfs/dbraw/zinc/45/77/38/1354457738.db2.gz HYCAVZRKNVHMOX-UHFFFAOYSA-N 1 2 349.435 2.013 10 5 EEBELO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCNC(=O)C1CCC=CCC1 ZINC001660400124 1354457740 /nfs/dbraw/zinc/45/77/40/1354457740.db2.gz HYCAVZRKNVHMOX-UHFFFAOYSA-N 1 2 349.435 2.013 10 5 EEBELO Nc1nnc([C@@H]2CCC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)o1 ZINC001174965112 797950444 /nfs/dbraw/zinc/95/04/44/797950444.db2.gz JNBCRWOOWDZXCI-MRVPVSSYSA-N 1 2 339.302 2.218 10 5 EEBELO Nc1nnc([C@@H]2CCC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)o1 ZINC001174965112 797950448 /nfs/dbraw/zinc/95/04/48/797950448.db2.gz JNBCRWOOWDZXCI-MRVPVSSYSA-N 1 2 339.302 2.218 10 5 EEBELO COC(=O)c1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc([N+](=O)[O-])c1 ZINC001130042901 811114510 /nfs/dbraw/zinc/11/45/10/811114510.db2.gz HZUOLTXHPUGEBU-UHFFFAOYSA-N 1 2 343.339 2.323 10 5 EEBELO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001455894196 1108978850 /nfs/dbraw/zinc/97/88/50/1108978850.db2.gz BSUWQTMHWHXJTK-UHFFFAOYSA-N 1 2 341.371 2.289 10 5 EEBELO Cn1c[nH+]c(CCNC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC001460731415 1110321741 /nfs/dbraw/zinc/32/17/41/1110321741.db2.gz CMZCUIXDMGBZMI-UHFFFAOYSA-N 1 2 342.277 2.320 10 5 EEBELO CC(C)(CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)n1cc[nH+]c1 ZINC001470567168 1110507977 /nfs/dbraw/zinc/50/79/77/1110507977.db2.gz KNLUILOUXAXPHV-UHFFFAOYSA-N 1 2 327.344 2.438 10 5 EEBELO Nc1[nH+]ccc2c1CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC001470907412 1110514068 /nfs/dbraw/zinc/51/40/68/1110514068.db2.gz JPJKKLJJSGQSFC-UHFFFAOYSA-N 1 2 332.747 2.424 10 5 EEBELO CCc1nnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000174242153 231158451 /nfs/dbraw/zinc/15/84/51/231158451.db2.gz DVRGAKREDOAYQU-UHFFFAOYSA-N 1 2 345.403 2.329 10 5 EEBELO COc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000273546714 256305585 /nfs/dbraw/zinc/30/55/85/256305585.db2.gz XXKDTRJQVYSLNM-UHFFFAOYSA-N 1 2 329.360 2.028 10 5 EEBELO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000360706757 164366932 /nfs/dbraw/zinc/36/69/32/164366932.db2.gz CTFDBSPGDDVUHC-RYUDHWBXSA-N 1 2 340.351 2.276 10 5 EEBELO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000360706757 164366934 /nfs/dbraw/zinc/36/69/34/164366934.db2.gz CTFDBSPGDDVUHC-RYUDHWBXSA-N 1 2 340.351 2.276 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280572567 269374747 /nfs/dbraw/zinc/37/47/47/269374747.db2.gz SBIZSIAVNJDEPV-QGZVFWFLSA-N 1 2 336.388 2.373 10 5 EEBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280572567 269374748 /nfs/dbraw/zinc/37/47/48/269374748.db2.gz SBIZSIAVNJDEPV-QGZVFWFLSA-N 1 2 336.388 2.373 10 5 EEBELO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000153945093 462711297 /nfs/dbraw/zinc/71/12/97/462711297.db2.gz KZIBBDBFPBPEHF-GFCCVEGCSA-N 1 2 343.330 2.297 10 5 EEBELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000153945093 462711302 /nfs/dbraw/zinc/71/13/02/462711302.db2.gz KZIBBDBFPBPEHF-GFCCVEGCSA-N 1 2 343.330 2.297 10 5 EEBELO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000072290248 463500070 /nfs/dbraw/zinc/50/00/70/463500070.db2.gz JEFHKTIFIMYZEA-KGLIPLIRSA-N 1 2 329.360 2.113 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284620887 464265968 /nfs/dbraw/zinc/26/59/68/464265968.db2.gz URWADFBLOHEIMX-CABCVRRESA-N 1 2 347.415 2.065 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284620887 464265970 /nfs/dbraw/zinc/26/59/70/464265970.db2.gz URWADFBLOHEIMX-CABCVRRESA-N 1 2 347.415 2.065 10 5 EEBELO CC1(C)OCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295873634 464992108 /nfs/dbraw/zinc/99/21/08/464992108.db2.gz LPWRWDZIBWUXEX-AWEZNQCLSA-N 1 2 330.344 2.078 10 5 EEBELO COc1cc(-c2nc(Cc3c[nH+]cn3C)no2)cc([N+](=O)[O-])c1C ZINC000346906300 466242038 /nfs/dbraw/zinc/24/20/38/466242038.db2.gz YHMYUKIAEBFOFK-UHFFFAOYSA-N 1 2 329.316 2.286 10 5 EEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000591555617 468483986 /nfs/dbraw/zinc/48/39/86/468483986.db2.gz OQSJHKFHGUXGEK-CQSZACIVSA-N 1 2 332.404 2.489 10 5 EEBELO COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000376393851 466909639 /nfs/dbraw/zinc/90/96/39/466909639.db2.gz FPBQAGBNNISICV-LLVKDONJSA-N 1 2 331.332 2.149 10 5 EEBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)[C@@H](C)O1 ZINC000450999371 467223740 /nfs/dbraw/zinc/22/37/40/467223740.db2.gz CGTBFBOZFAHDJD-FRRDWIJNSA-N 1 2 344.371 2.418 10 5 EEBELO CC[C@H](CO)Nc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)c[nH+]1 ZINC000600791616 468659307 /nfs/dbraw/zinc/65/93/07/468659307.db2.gz GFRQXQDNVBDUPT-CQSZACIVSA-N 1 2 331.372 2.374 10 5 EEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597844716 468690430 /nfs/dbraw/zinc/69/04/30/468690430.db2.gz BDWUJAQFCKBIAG-AWEZNQCLSA-N 1 2 346.387 2.126 10 5 EEBELO Cc1noc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)c1[N+](=O)[O-] ZINC000595420168 468846098 /nfs/dbraw/zinc/84/60/98/468846098.db2.gz OUXUWRCOZJWGJQ-SNVBAGLBSA-N 1 2 328.332 2.323 10 5 EEBELO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598557147 468911726 /nfs/dbraw/zinc/91/17/26/468911726.db2.gz BPNPUQQMYUKTMF-CYBMUJFWSA-N 1 2 333.388 2.152 10 5 EEBELO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000598557147 468911728 /nfs/dbraw/zinc/91/17/28/468911728.db2.gz BPNPUQQMYUKTMF-CYBMUJFWSA-N 1 2 333.388 2.152 10 5 EEBELO CN(C(=O)C[N@@H+]1CCO[C@](C)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595625077 468928464 /nfs/dbraw/zinc/92/84/64/468928464.db2.gz KOOCVAIJMYKUSS-KRWDZBQOSA-N 1 2 333.388 2.059 10 5 EEBELO CN(C(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595625077 468928469 /nfs/dbraw/zinc/92/84/69/468928469.db2.gz KOOCVAIJMYKUSS-KRWDZBQOSA-N 1 2 333.388 2.059 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000584852338 468950954 /nfs/dbraw/zinc/95/09/54/468950954.db2.gz ACJYRURRLBAGRW-SKDRFNHKSA-N 1 2 329.303 2.235 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000584852338 468950959 /nfs/dbraw/zinc/95/09/59/468950959.db2.gz ACJYRURRLBAGRW-SKDRFNHKSA-N 1 2 329.303 2.235 10 5 EEBELO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593688113 469095833 /nfs/dbraw/zinc/09/58/33/469095833.db2.gz MZHDSRTXDBEOCP-UHFFFAOYSA-N 1 2 342.399 2.371 10 5 EEBELO O=C1N=NCN1C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599080769 469110476 /nfs/dbraw/zinc/11/04/76/469110476.db2.gz REWDVNWJOTZLIL-UHFFFAOYSA-N 1 2 340.343 2.282 10 5 EEBELO COc1cc(C[N@H+](C)[C@H]2CCCCN(C)C2=O)c([N+](=O)[O-])cc1F ZINC000601971878 469120025 /nfs/dbraw/zinc/12/00/25/469120025.db2.gz WYSTWEFDGZGMGD-ZDUSSCGKSA-N 1 2 339.367 2.185 10 5 EEBELO COc1cc(C[N@@H+](C)[C@H]2CCCCN(C)C2=O)c([N+](=O)[O-])cc1F ZINC000601971878 469120028 /nfs/dbraw/zinc/12/00/28/469120028.db2.gz WYSTWEFDGZGMGD-ZDUSSCGKSA-N 1 2 339.367 2.185 10 5 EEBELO Cc1cc(N[C@H](CO)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596323854 469244324 /nfs/dbraw/zinc/24/43/24/469244324.db2.gz AOSKIMZWVISGIA-OAHLLOKOSA-N 1 2 328.372 2.355 10 5 EEBELO COC(=O)c1cnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000599425518 469251374 /nfs/dbraw/zinc/25/13/74/469251374.db2.gz KVVFIHKACKLIJC-UHFFFAOYSA-N 1 2 330.344 2.196 10 5 EEBELO Cc1cc(N2CC[C@@]3(O)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596482432 469280257 /nfs/dbraw/zinc/28/02/57/469280257.db2.gz SDLZTPGEQNFQKG-SUMWQHHRSA-N 1 2 326.356 2.321 10 5 EEBELO O=C(C[N@@H+]1CCC12CCOCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000618318250 469960690 /nfs/dbraw/zinc/96/06/90/469960690.db2.gz LFELNINDQYKSND-UHFFFAOYSA-N 1 2 339.779 2.442 10 5 EEBELO O=C(C[N@H+]1CCC12CCOCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000618318250 469960694 /nfs/dbraw/zinc/96/06/94/469960694.db2.gz LFELNINDQYKSND-UHFFFAOYSA-N 1 2 339.779 2.442 10 5 EEBELO C[C@H]([NH2+]Cc1nc(Br)nn1C)c1ccc([N+](=O)[O-])cc1 ZINC000894868215 683247072 /nfs/dbraw/zinc/24/70/72/683247072.db2.gz SFHKTUBXOSJWAV-QMMMGPOBSA-N 1 2 340.181 2.337 10 5 EEBELO CC[C@H](C[NH+]1CCOCC1)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000928645651 1206406708 /nfs/dbraw/zinc/40/67/08/1206406708.db2.gz ZZZMLAPFUITDPV-OBEJXRGXSA-N 1 2 347.415 2.225 10 5 EEBELO CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000859664778 1294583236 /nfs/dbraw/zinc/58/32/36/1294583236.db2.gz HYNQCLKTALSCNA-AWEZNQCLSA-N 1 2 326.324 2.046 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC001294045271 1328866757 /nfs/dbraw/zinc/86/67/57/1328866757.db2.gz OJDTYJSRJUPEFQ-UHFFFAOYSA-N 1 2 342.346 2.100 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC001294045271 1328866761 /nfs/dbraw/zinc/86/67/61/1328866761.db2.gz OJDTYJSRJUPEFQ-UHFFFAOYSA-N 1 2 342.346 2.100 10 5 EEBELO CC(C)c1[nH]cc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[nH+]1 ZINC001304105700 1331378047 /nfs/dbraw/zinc/37/80/47/1331378047.db2.gz RHJFMKPELZUCNF-UHFFFAOYSA-N 1 2 332.316 2.100 10 5 EEBELO CC(C)c1[nH]c(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c[nH+]1 ZINC001304105700 1331378051 /nfs/dbraw/zinc/37/80/51/1331378051.db2.gz RHJFMKPELZUCNF-UHFFFAOYSA-N 1 2 332.316 2.100 10 5 EEBELO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001620599738 1352360897 /nfs/dbraw/zinc/36/08/97/1352360897.db2.gz GZNWQQRKBUFVCC-XHDPSFHLSA-N 1 2 341.371 2.453 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001620619210 1352361057 /nfs/dbraw/zinc/36/10/57/1352361057.db2.gz XHJWWXRKOUUZLZ-OLZOCXBDSA-N 1 2 341.371 2.201 10 5 EEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001620619210 1352361058 /nfs/dbraw/zinc/36/10/58/1352361058.db2.gz XHJWWXRKOUUZLZ-OLZOCXBDSA-N 1 2 341.371 2.201 10 5 EEBELO Nc1c(C(=O)N[C@H]2CCn3c[nH+]cc32)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001585868799 1348824202 /nfs/dbraw/zinc/82/42/02/1348824202.db2.gz RGTRIQFMWBPALU-QMMMGPOBSA-N 1 2 339.714 2.041 10 5 EEBELO C[C@H](CC(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)n1cc[nH+]c1 ZINC001648530570 1353433109 /nfs/dbraw/zinc/43/31/09/1353433109.db2.gz BTHCRLMKZWZJMN-SNVBAGLBSA-N 1 2 341.331 2.166 10 5 EEBELO Cc1cc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc[nH+]1 ZINC001537534858 1124008776 /nfs/dbraw/zinc/00/87/76/1124008776.db2.gz HEQIQQCTGOQNCT-UHFFFAOYSA-N 1 2 337.339 2.217 10 5 EEBELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N ZINC001543925900 1124136607 /nfs/dbraw/zinc/13/66/07/1124136607.db2.gz CSCTVNAIYIVIOL-LLVKDONJSA-N 1 2 339.355 2.345 10 5 EEBELO O=[N+]([O-])c1c(Nc2ccc3c(c2)OCCO3)ncnc1-n1cc[nH+]c1 ZINC000040646318 213363878 /nfs/dbraw/zinc/36/38/78/213363878.db2.gz VKMNKSPZDKIWCH-UHFFFAOYSA-N 1 2 340.299 2.085 10 5 EEBELO CCOC(=O)C(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118863679 221198670 /nfs/dbraw/zinc/19/86/70/221198670.db2.gz JZSVEMPKGKWTQT-UHFFFAOYSA-N 1 2 337.376 2.163 10 5 EEBELO CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000282062105 258013556 /nfs/dbraw/zinc/01/35/56/258013556.db2.gz ZZYGCTMYVCJGLI-GFCCVEGCSA-N 1 2 329.360 2.109 10 5 EEBELO Cc1ccc(Nc2ncnc(N3CC[NH+](C)CC3)c2[N+](=O)[O-])c(C)c1 ZINC000040610396 132404045 /nfs/dbraw/zinc/40/40/45/132404045.db2.gz MNUVZOXNWGSRBQ-UHFFFAOYSA-N 1 2 342.403 2.497 10 5 EEBELO Cc1ccc([C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)o1 ZINC000159113601 143794518 /nfs/dbraw/zinc/79/45/18/143794518.db2.gz QKKBWUIEGWLPKZ-MRXNPFEDSA-N 1 2 345.355 2.169 10 5 EEBELO Cc1ccc([C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCO2)o1 ZINC000159113601 143794520 /nfs/dbraw/zinc/79/45/20/143794520.db2.gz QKKBWUIEGWLPKZ-MRXNPFEDSA-N 1 2 345.355 2.169 10 5 EEBELO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343486821 161140743 /nfs/dbraw/zinc/14/07/43/161140743.db2.gz XOXZXWMSDHYBQM-UHFFFAOYSA-N 1 2 329.356 2.292 10 5 EEBELO CNC(=O)C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339148794 277232124 /nfs/dbraw/zinc/23/21/24/277232124.db2.gz LWSQMYIYUQJIEW-OAHLLOKOSA-N 1 2 329.356 2.267 10 5 EEBELO [NH2+]=C1N=C2NC(=O)c3ccccc3N2[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000017070679 295210228 /nfs/dbraw/zinc/21/02/28/295210228.db2.gz QBQQCDQJBNFZJZ-CYBMUJFWSA-N 1 2 336.311 2.103 10 5 EEBELO CC[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000421660594 314137917 /nfs/dbraw/zinc/13/79/17/314137917.db2.gz CQYLFIFHGPUKJM-KGLIPLIRSA-N 1 2 344.371 2.468 10 5 EEBELO COc1ccc(N2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)nc1 ZINC000449765849 315440928 /nfs/dbraw/zinc/44/09/28/315440928.db2.gz LAJVKUDSOIQFDL-UHFFFAOYSA-N 1 2 344.371 2.026 10 5 EEBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358304083 465047277 /nfs/dbraw/zinc/04/72/77/465047277.db2.gz VAWGPKIAJGPVDL-LBPRGKRZSA-N 1 2 329.360 2.017 10 5 EEBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358304083 465047283 /nfs/dbraw/zinc/04/72/83/465047283.db2.gz VAWGPKIAJGPVDL-LBPRGKRZSA-N 1 2 329.360 2.017 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOCCOc1ccccc1)CC2 ZINC000347793762 465231112 /nfs/dbraw/zinc/23/11/12/465231112.db2.gz YJHUSUKSYNVHOQ-UHFFFAOYSA-N 1 2 343.383 2.444 10 5 EEBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOCCOc1ccccc1)CC2 ZINC000347793762 465231116 /nfs/dbraw/zinc/23/11/16/465231116.db2.gz YJHUSUKSYNVHOQ-UHFFFAOYSA-N 1 2 343.383 2.444 10 5 EEBELO C[C@H]1CCCN(c2ccc(C(=O)N3CC[NH+](C)CC3)cc2[N+](=O)[O-])C1 ZINC000070709008 463380029 /nfs/dbraw/zinc/38/00/29/463380029.db2.gz OKUXNVLGAJHCED-AWEZNQCLSA-N 1 2 346.431 2.219 10 5 EEBELO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000105864011 463479997 /nfs/dbraw/zinc/47/99/97/463479997.db2.gz DJMHNUBDNMMDRY-GFCCVEGCSA-N 1 2 331.376 2.165 10 5 EEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000185993607 463919320 /nfs/dbraw/zinc/91/93/20/463919320.db2.gz CLULVMQWZWLBNA-MSIAHBHRSA-N 1 2 347.415 2.224 10 5 EEBELO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000171954061 463955633 /nfs/dbraw/zinc/95/56/33/463955633.db2.gz 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ZINC000339954611 160885606 /nfs/dbraw/zinc/88/56/06/160885606.db2.gz ORGADHDWSJMZSS-UHFFFAOYSA-N 1 2 329.360 2.028 10 5 EEBELO COCCN1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347409796 161449954 /nfs/dbraw/zinc/44/99/54/161449954.db2.gz JQHYARVJXIFCKX-RVDMUPIBSA-N 1 2 347.415 2.179 10 5 EEBELO COCCN1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1=O ZINC000347409796 161449955 /nfs/dbraw/zinc/44/99/55/161449955.db2.gz JQHYARVJXIFCKX-RVDMUPIBSA-N 1 2 347.415 2.179 10 5 EEBELO Cc1ccc(C[N@H+](CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000355659683 163262437 /nfs/dbraw/zinc/26/24/37/163262437.db2.gz QOUJHKUAVOKMFI-UHFFFAOYSA-N 1 2 348.355 2.357 10 5 EEBELO Cc1ccc(C[N@@H+](CCO)Cc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000355659683 163262440 /nfs/dbraw/zinc/26/24/40/163262440.db2.gz QOUJHKUAVOKMFI-UHFFFAOYSA-N 1 2 348.355 2.357 10 5 EEBELO Cc1cc(OCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000280792805 269390544 /nfs/dbraw/zinc/39/05/44/269390544.db2.gz LFGFYMDQTXURNN-UHFFFAOYSA-N 1 2 344.371 2.411 10 5 EEBELO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281499739 269429054 /nfs/dbraw/zinc/42/90/54/269429054.db2.gz UIVWGENBKMYPKO-OAHLLOKOSA-N 1 2 343.387 2.154 10 5 EEBELO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000281499739 269429056 /nfs/dbraw/zinc/42/90/56/269429056.db2.gz UIVWGENBKMYPKO-OAHLLOKOSA-N 1 2 343.387 2.154 10 5 EEBELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccccc1 ZINC000179224725 290143190 /nfs/dbraw/zinc/14/31/90/290143190.db2.gz FMCQXZGPODLZRO-PBHICJAKSA-N 1 2 341.367 2.476 10 5 EEBELO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccccc1 ZINC000179224725 290143191 /nfs/dbraw/zinc/14/31/91/290143191.db2.gz FMCQXZGPODLZRO-PBHICJAKSA-N 1 2 341.367 2.476 10 5 EEBELO C[N@@H+]1CCO[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113336768 462589521 /nfs/dbraw/zinc/58/95/21/462589521.db2.gz URTXJBJPKZZGIC-OAHLLOKOSA-N 1 2 348.428 2.139 10 5 EEBELO C[N@H+]1CCO[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113336768 462589524 /nfs/dbraw/zinc/58/95/24/462589524.db2.gz URTXJBJPKZZGIC-OAHLLOKOSA-N 1 2 348.428 2.139 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000127892604 462591979 /nfs/dbraw/zinc/59/19/79/462591979.db2.gz LREHBMVZDAGREY-CQSZACIVSA-N 1 2 348.403 2.150 10 5 EEBELO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000061760921 462599313 /nfs/dbraw/zinc/59/93/13/462599313.db2.gz BVIWISJEYVNQER-UHFFFAOYSA-N 1 2 347.327 2.295 10 5 EEBELO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)o1 ZINC000061760921 462599319 /nfs/dbraw/zinc/59/93/19/462599319.db2.gz BVIWISJEYVNQER-UHFFFAOYSA-N 1 2 347.327 2.295 10 5 EEBELO Cc1sc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000033044781 463409250 /nfs/dbraw/zinc/40/92/50/463409250.db2.gz HCMYWCHZWHTOEN-UHFFFAOYSA-N 1 2 343.368 2.475 10 5 EEBELO CCS(=O)(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000195163591 464008798 /nfs/dbraw/zinc/00/87/98/464008798.db2.gz YLSFDJLKRAOTJD-UHFFFAOYSA-N 1 2 326.418 2.302 10 5 EEBELO COc1c(C)c[nH+]c(CN(C)c2ccc3ncc([N+](=O)[O-])n3n2)c1C ZINC000179287704 464098507 /nfs/dbraw/zinc/09/85/07/464098507.db2.gz TZMWABPQHWWHGG-UHFFFAOYSA-N 1 2 342.359 2.294 10 5 EEBELO CN(C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000253356548 464993847 /nfs/dbraw/zinc/99/38/47/464993847.db2.gz VGBNWCSZOULOLS-CVEARBPZSA-N 1 2 333.388 2.201 10 5 EEBELO CN(C(=O)C[N@H+]1CCO[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000253356548 464993852 /nfs/dbraw/zinc/99/38/52/464993852.db2.gz VGBNWCSZOULOLS-CVEARBPZSA-N 1 2 333.388 2.201 10 5 EEBELO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177439740 465015500 /nfs/dbraw/zinc/01/55/00/465015500.db2.gz QHQVZWZRIRXZQA-INIZCTEOSA-N 1 2 343.387 2.208 10 5 EEBELO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000348504737 465638061 /nfs/dbraw/zinc/63/80/61/465638061.db2.gz FYPFSBMVUILXOC-HNNXBMFYSA-N 1 2 345.355 2.460 10 5 EEBELO O=[N+]([O-])c1cnc2ccc(NCc3ccc(Cn4cc[nH+]c4)cc3)nn21 ZINC000301917674 466062135 /nfs/dbraw/zinc/06/21/35/466062135.db2.gz JJWFZRLKYHPXLF-UHFFFAOYSA-N 1 2 349.354 2.494 10 5 EEBELO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000363879656 466644186 /nfs/dbraw/zinc/64/41/86/466644186.db2.gz CGHSPBOWJJOYPU-JKSUJKDBSA-N 1 2 339.355 2.126 10 5 EEBELO Cc1cn2c([nH+]1)CN(C(=O)Cc1c[nH]c3ccc([N+](=O)[O-])cc13)CC2 ZINC000373302436 466758796 /nfs/dbraw/zinc/75/87/96/466758796.db2.gz NEEPXAHZZQBWLB-UHFFFAOYSA-N 1 2 339.355 2.166 10 5 EEBELO Cn1c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1C1CCC1 ZINC000365506335 466840840 /nfs/dbraw/zinc/84/08/40/466840840.db2.gz DZCYIYHVCPJLCY-UHFFFAOYSA-N 1 2 345.407 2.024 10 5 EEBELO O=C(C[N@@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000373938367 466975716 /nfs/dbraw/zinc/97/57/16/466975716.db2.gz NOFOSIGRKRIFGJ-ZDUSSCGKSA-N 1 2 341.371 2.203 10 5 EEBELO O=C(C[N@H+]1CCC[C@H](c2ccncn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000373938367 466975722 /nfs/dbraw/zinc/97/57/22/466975722.db2.gz NOFOSIGRKRIFGJ-ZDUSSCGKSA-N 1 2 341.371 2.203 10 5 EEBELO O=c1[nH]nc(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000377486082 467068422 /nfs/dbraw/zinc/06/84/22/467068422.db2.gz UALYLBGYMIMQSA-UHFFFAOYSA-N 1 2 337.767 2.452 10 5 EEBELO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377662330 467109883 /nfs/dbraw/zinc/10/98/83/467109883.db2.gz ODJCIDIYWRWOSN-UHFFFAOYSA-N 1 2 347.396 2.150 10 5 EEBELO O=C(NCC[N@H+]1CCc2sccc2C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377662330 467109887 /nfs/dbraw/zinc/10/98/87/467109887.db2.gz ODJCIDIYWRWOSN-UHFFFAOYSA-N 1 2 347.396 2.150 10 5 EEBELO Cc1nn(CCC(=O)Nc2c[nH+]c3c(C)cccn23)c(C)c1[N+](=O)[O-] ZINC000598262947 468811151 /nfs/dbraw/zinc/81/11/51/468811151.db2.gz PMAKITUVJPVEPZ-UHFFFAOYSA-N 1 2 342.359 2.393 10 5 EEBELO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601383498 468851620 /nfs/dbraw/zinc/85/16/20/468851620.db2.gz QVFOGRSLRPDWEJ-NXEZZACHSA-N 1 2 347.462 2.068 10 5 EEBELO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601383498 468851624 /nfs/dbraw/zinc/85/16/24/468851624.db2.gz QVFOGRSLRPDWEJ-NXEZZACHSA-N 1 2 347.462 2.068 10 5 EEBELO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593116283 468877163 /nfs/dbraw/zinc/87/71/63/468877163.db2.gz HBTOGBMBQXEKTD-CQSZACIVSA-N 1 2 341.314 2.273 10 5 EEBELO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC000593116283 468877166 /nfs/dbraw/zinc/87/71/66/468877166.db2.gz HBTOGBMBQXEKTD-CQSZACIVSA-N 1 2 341.314 2.273 10 5 EEBELO O=[N+]([O-])c1c(NCC2([NH+]3CCOCC3)CC2)ccc2cnccc21 ZINC000599074893 469107982 /nfs/dbraw/zinc/10/79/82/469107982.db2.gz VQVYTCMZLFXXRZ-UHFFFAOYSA-N 1 2 328.372 2.420 10 5 EEBELO Cc1c(C[NH2+]Cc2nc(Br)nn2C)cccc1[N+](=O)[O-] ZINC000894541324 682961998 /nfs/dbraw/zinc/96/19/98/682961998.db2.gz BRHQCDXTCGVFBJ-UHFFFAOYSA-N 1 2 340.181 2.084 10 5 EEBELO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnn(CCF)c2)CC1 ZINC000929247628 1206459376 /nfs/dbraw/zinc/45/93/76/1206459376.db2.gz UXZCFTDRGXISOL-UHFFFAOYSA-N 1 2 333.367 2.083 10 5 EEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000857945557 1293962560 /nfs/dbraw/zinc/96/25/60/1293962560.db2.gz QFCVSOZXRKSTDE-ICDLMJIXSA-N 1 2 326.356 2.326 10 5 EEBELO COc1cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1C ZINC001304057053 1331375742 /nfs/dbraw/zinc/37/57/42/1331375742.db2.gz XJUCCCUXWRATEG-UHFFFAOYSA-N 1 2 344.371 2.444 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001620619221 1352360945 /nfs/dbraw/zinc/36/09/45/1352360945.db2.gz XORKRQYNOLSIIW-CHWSQXEVSA-N 1 2 341.371 2.201 10 5 EEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001620619221 1352360946 /nfs/dbraw/zinc/36/09/46/1352360946.db2.gz XORKRQYNOLSIIW-CHWSQXEVSA-N 1 2 341.371 2.201 10 5 EEBELO COc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC001559099997 1342497453 /nfs/dbraw/zinc/49/74/53/1342497453.db2.gz ZOJWIXFPUQVKKN-RYUDHWBXSA-N 1 2 339.392 2.133 10 5 EEBELO Cc1nc([C@@H]2CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC001560139912 1342508313 /nfs/dbraw/zinc/50/83/13/1342508313.db2.gz KCZXGLWDALOLRX-SNVBAGLBSA-N 1 2 329.316 2.417 10 5 EEBELO Cc1nc([C@@H]2CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)no1 ZINC001560139912 1342508318 /nfs/dbraw/zinc/50/83/18/1342508318.db2.gz KCZXGLWDALOLRX-SNVBAGLBSA-N 1 2 329.316 2.417 10 5 EEBELO CCn1c[nH+]c2c1CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001655687142 1354181681 /nfs/dbraw/zinc/18/16/81/1354181681.db2.gz XHZMWDSYLHBEFP-UHFFFAOYSA-N 1 2 331.332 2.278 10 5 EEBELO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001660132763 1354402096 /nfs/dbraw/zinc/40/20/96/1354402096.db2.gz AEWVSWMYXVKHPS-JQWIXIFHSA-N 1 2 345.359 2.103 10 5 EEBELO Cc1nc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001660132763 1354402098 /nfs/dbraw/zinc/40/20/98/1354402098.db2.gz AEWVSWMYXVKHPS-JQWIXIFHSA-N 1 2 345.359 2.103 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000825124215 788447578 /nfs/dbraw/zinc/44/75/78/788447578.db2.gz KIHQUNRYQYPMMG-CABZTGNLSA-N 1 2 349.265 2.248 10 5 EEBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000825124215 788447581 /nfs/dbraw/zinc/44/75/81/788447581.db2.gz KIHQUNRYQYPMMG-CABZTGNLSA-N 1 2 349.265 2.248 10 5 EEBELO CN(CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc[nH+]1 ZINC001175697067 798186737 /nfs/dbraw/zinc/18/67/37/798186737.db2.gz MWTLOWOTMZZPRA-UHFFFAOYSA-N 1 2 328.372 2.175 10 5 EEBELO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OCCCn1cc[nH+]c1 ZINC000808562537 812736457 /nfs/dbraw/zinc/73/64/57/812736457.db2.gz TZMMUTNMBXOGDJ-UHFFFAOYSA-N 1 2 325.271 2.246 10 5 EEBELO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001454257556 1106979257 /nfs/dbraw/zinc/97/92/57/1106979257.db2.gz PSNSDHUXHPNGOR-CQSZACIVSA-N 1 2 334.763 2.363 10 5 EEBELO COc1ccc(OC)c(Nc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])c1 ZINC000040619545 213359304 /nfs/dbraw/zinc/35/93/04/213359304.db2.gz NQPSVNUVMVOVFS-UHFFFAOYSA-N 1 2 342.315 2.331 10 5 EEBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cnccn1 ZINC000080965656 217345684 /nfs/dbraw/zinc/34/56/84/217345684.db2.gz OFOMYLVXWQJTDJ-JTQLQIEISA-N 1 2 349.778 2.497 10 5 EEBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cnccn1 ZINC000080965656 217345686 /nfs/dbraw/zinc/34/56/86/217345686.db2.gz OFOMYLVXWQJTDJ-JTQLQIEISA-N 1 2 349.778 2.497 10 5 EEBELO CN(C)c1[nH+]cccc1N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079725660 292197540 /nfs/dbraw/zinc/19/75/40/292197540.db2.gz BVKHPXUBUKVERH-UHFFFAOYSA-N 1 2 343.387 2.155 10 5 EEBELO COc1ccccc1OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353001141 162383039 /nfs/dbraw/zinc/38/30/39/162383039.db2.gz PEWFNWDPCVYPHM-UHFFFAOYSA-N 1 2 329.356 2.436 10 5 EEBELO COc1ccccc1OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353001141 162383041 /nfs/dbraw/zinc/38/30/41/162383041.db2.gz PEWFNWDPCVYPHM-UHFFFAOYSA-N 1 2 329.356 2.436 10 5 EEBELO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)[C@H](C)O1 ZINC000450999373 277855485 /nfs/dbraw/zinc/85/54/85/277855485.db2.gz CGTBFBOZFAHDJD-UPJWGTAASA-N 1 2 344.371 2.418 10 5 EEBELO CC(C)(NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1[N+](=O)[O-] ZINC000490986233 468280199 /nfs/dbraw/zinc/28/01/99/468280199.db2.gz HDAIHGMIORLJOQ-NSHDSACASA-N 1 2 343.387 2.410 10 5 EEBELO CC(C)(NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000490986233 468280204 /nfs/dbraw/zinc/28/02/04/468280204.db2.gz HDAIHGMIORLJOQ-NSHDSACASA-N 1 2 343.387 2.410 10 5 EEBELO CC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000153945196 462711254 /nfs/dbraw/zinc/71/12/54/462711254.db2.gz KZIBBDBFPBPEHF-LBPRGKRZSA-N 1 2 343.330 2.297 10 5 EEBELO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000153945196 462711259 /nfs/dbraw/zinc/71/12/59/462711259.db2.gz KZIBBDBFPBPEHF-LBPRGKRZSA-N 1 2 343.330 2.297 10 5 EEBELO CCOCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1CC ZINC000116768961 462772808 /nfs/dbraw/zinc/77/28/08/462772808.db2.gz FUCOWIWSGDFZGF-LBPRGKRZSA-N 1 2 341.433 2.229 10 5 EEBELO CCOCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1CC ZINC000116768961 462772814 /nfs/dbraw/zinc/77/28/14/462772814.db2.gz FUCOWIWSGDFZGF-LBPRGKRZSA-N 1 2 341.433 2.229 10 5 EEBELO Cc1nc(N2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)cc[nH+]1 ZINC000283933203 464047720 /nfs/dbraw/zinc/04/77/20/464047720.db2.gz HMNMCZDTNOSMNP-UHFFFAOYSA-N 1 2 349.341 2.294 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284622832 464266219 /nfs/dbraw/zinc/26/62/19/464266219.db2.gz URWADFBLOHEIMX-GJZGRUSLSA-N 1 2 347.415 2.065 10 5 EEBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284622832 464266224 /nfs/dbraw/zinc/26/62/24/464266224.db2.gz URWADFBLOHEIMX-GJZGRUSLSA-N 1 2 347.415 2.065 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000366655023 465856211 /nfs/dbraw/zinc/85/62/11/465856211.db2.gz XPSDVZFMDYPDDF-QGZVFWFLSA-N 1 2 349.431 2.290 10 5 EEBELO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000451039848 467233591 /nfs/dbraw/zinc/23/35/91/467233591.db2.gz IKQHWTPDYBXPCK-KRWDZBQOSA-N 1 2 332.356 2.306 10 5 EEBELO C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000454962413 467626736 /nfs/dbraw/zinc/62/67/36/467626736.db2.gz ACUGSABTUBPFMV-JQWIXIFHSA-N 1 2 329.360 2.236 10 5 EEBELO C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000454962413 467626738 /nfs/dbraw/zinc/62/67/38/467626738.db2.gz ACUGSABTUBPFMV-JQWIXIFHSA-N 1 2 329.360 2.236 10 5 EEBELO C[C@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000449935949 467746749 /nfs/dbraw/zinc/74/67/49/467746749.db2.gz AQUCSQRSDPXKFP-LBPRGKRZSA-N 1 2 344.371 2.014 10 5 EEBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC2(CC2)C1 ZINC000450530540 467865579 /nfs/dbraw/zinc/86/55/79/467865579.db2.gz DDJPVZKMZAFDMV-UHFFFAOYSA-N 1 2 342.355 2.033 10 5 EEBELO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000592186164 468649216 /nfs/dbraw/zinc/64/92/16/468649216.db2.gz TUAOIUSGBWRYSP-ZDUSSCGKSA-N 1 2 349.284 2.234 10 5 EEBELO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000592186164 468649219 /nfs/dbraw/zinc/64/92/19/468649219.db2.gz TUAOIUSGBWRYSP-ZDUSSCGKSA-N 1 2 349.284 2.234 10 5 EEBELO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2(CCC2)CO1 ZINC000593091057 468867095 /nfs/dbraw/zinc/86/70/95/468867095.db2.gz DKVPXPUEMSKLJN-CYBMUJFWSA-N 1 2 345.399 2.127 10 5 EEBELO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2(CCC2)CO1 ZINC000593091057 468867097 /nfs/dbraw/zinc/86/70/97/468867097.db2.gz DKVPXPUEMSKLJN-CYBMUJFWSA-N 1 2 345.399 2.127 10 5 EEBELO Cc1noc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000595515359 468884641 /nfs/dbraw/zinc/88/46/41/468884641.db2.gz CZBFPEUYSMUJLD-CZUORRHYSA-N 1 2 335.335 2.191 10 5 EEBELO Cc1noc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1[N+](=O)[O-] ZINC000595515359 468884646 /nfs/dbraw/zinc/88/46/46/468884646.db2.gz CZBFPEUYSMUJLD-CZUORRHYSA-N 1 2 335.335 2.191 10 5 EEBELO CN(C(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611577593 469284775 /nfs/dbraw/zinc/28/47/75/469284775.db2.gz KDQGGZVJUWOTOC-ZDUSSCGKSA-N 1 2 343.330 2.261 10 5 EEBELO CN(C(=O)C[N@H+]1CCC[C@H](OC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000611577593 469284778 /nfs/dbraw/zinc/28/47/78/469284778.db2.gz KDQGGZVJUWOTOC-ZDUSSCGKSA-N 1 2 343.330 2.261 10 5 EEBELO COC[C@]1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000599699505 469343019 /nfs/dbraw/zinc/34/30/19/469343019.db2.gz SUGYAQNUURZTLQ-KRWDZBQOSA-N 1 2 347.371 2.487 10 5 EEBELO COC[C@]1(C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000599699505 469343023 /nfs/dbraw/zinc/34/30/23/469343023.db2.gz SUGYAQNUURZTLQ-KRWDZBQOSA-N 1 2 347.371 2.487 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604429581 469477484 /nfs/dbraw/zinc/47/74/84/469477484.db2.gz AOHCZUKVLHDMQN-UHFFFAOYSA-N 1 2 326.356 2.044 10 5 EEBELO Cc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1C ZINC000813172921 1201141648 /nfs/dbraw/zinc/14/16/48/1201141648.db2.gz SWRHBVKHKHFKBL-HNNXBMFYSA-N 1 2 344.371 2.068 10 5 EEBELO Cc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1C ZINC000813172921 1201141652 /nfs/dbraw/zinc/14/16/52/1201141652.db2.gz SWRHBVKHKHFKBL-HNNXBMFYSA-N 1 2 344.371 2.068 10 5 EEBELO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000801564010 1235843060 /nfs/dbraw/zinc/84/30/60/1235843060.db2.gz JEHKPQDBFQFOOX-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](C(F)F)C2)cccc1[N+](=O)[O-] ZINC000801564010 1235843067 /nfs/dbraw/zinc/84/30/67/1235843067.db2.gz JEHKPQDBFQFOOX-CYBMUJFWSA-N 1 2 343.330 2.198 10 5 EEBELO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000857989912 1293981970 /nfs/dbraw/zinc/98/19/70/1293981970.db2.gz TXBTVCKTUVULQE-GFCCVEGCSA-N 1 2 330.344 2.130 10 5 EEBELO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001290154456 1328149835 /nfs/dbraw/zinc/14/98/35/1328149835.db2.gz WREGIDBYPBGXOG-UHFFFAOYSA-N 1 2 340.383 2.135 10 5 EEBELO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC001175873471 798275009 /nfs/dbraw/zinc/27/50/09/798275009.db2.gz QGWBEOFKYUFBNZ-HNNXBMFYSA-N 1 2 325.328 2.291 10 5 EEBELO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccnn1C ZINC001462309648 1110355755 /nfs/dbraw/zinc/35/57/55/1110355755.db2.gz PHNJSDZQDDMGCB-NSHDSACASA-N 1 2 340.343 2.005 10 5 EEBELO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCOC1 ZINC000426503367 241301267 /nfs/dbraw/zinc/30/12/67/241301267.db2.gz HYEGIJLIQBISQC-ZDUSSCGKSA-N 1 2 346.330 2.434 10 5 EEBELO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCOC1 ZINC000426503367 241301272 /nfs/dbraw/zinc/30/12/72/241301272.db2.gz HYEGIJLIQBISQC-ZDUSSCGKSA-N 1 2 346.330 2.434 10 5 EEBELO Cc1sc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000080490606 159142147 /nfs/dbraw/zinc/14/21/47/159142147.db2.gz SDRWTWLCXFQLFY-UHFFFAOYSA-N 1 2 341.433 2.148 10 5 EEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186424738 160070862 /nfs/dbraw/zinc/07/08/62/160070862.db2.gz XHECBCOPVCULQV-UHFFFAOYSA-N 1 2 341.371 2.046 10 5 EEBELO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1[nH+]ccn1CC(F)(F)F ZINC000359180978 164076912 /nfs/dbraw/zinc/07/69/12/164076912.db2.gz WYGLYSWNFASNGT-UHFFFAOYSA-N 1 2 342.277 2.213 10 5 EEBELO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccccc1 ZINC000185736960 274022222 /nfs/dbraw/zinc/02/22/22/274022222.db2.gz HCWQYHJPYJEJAT-RDJZCZTQSA-N 1 2 341.367 2.476 10 5 EEBELO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccccc1 ZINC000185736960 274022224 /nfs/dbraw/zinc/02/22/24/274022224.db2.gz HCWQYHJPYJEJAT-RDJZCZTQSA-N 1 2 341.367 2.476 10 5 EEBELO O=c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH][nH]1 ZINC000289518311 275123752 /nfs/dbraw/zinc/12/37/52/275123752.db2.gz VMRAAILVVCNVDT-UHFFFAOYSA-N 1 2 337.767 2.039 10 5 EEBELO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000334051514 312233764 /nfs/dbraw/zinc/23/37/64/312233764.db2.gz SSVKWMPDSJKRPQ-JHJVBQTASA-N 1 2 335.404 2.397 10 5 EEBELO COc1cc(C[NH+]2CCN(c3nccnc3C)CC2)ccc1[N+](=O)[O-] ZINC000440526333 315135879 /nfs/dbraw/zinc/13/58/79/315135879.db2.gz XKQKDDVORDLDHK-UHFFFAOYSA-N 1 2 343.387 2.024 10 5 EEBELO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532134247 317844015 /nfs/dbraw/zinc/84/40/15/317844015.db2.gz PVYSVVDNRJBOET-UHFFFAOYSA-N 1 2 337.339 2.165 10 5 EEBELO Cc1c(C[N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000521536532 468319158 /nfs/dbraw/zinc/31/91/58/468319158.db2.gz RXASTDGBYQSBAS-UHFFFAOYSA-N 1 2 331.376 2.016 10 5 EEBELO Cc1c(C[N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000521536532 468319161 /nfs/dbraw/zinc/31/91/61/468319161.db2.gz RXASTDGBYQSBAS-UHFFFAOYSA-N 1 2 331.376 2.016 10 5 EEBELO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000072290249 463499980 /nfs/dbraw/zinc/49/99/80/463499980.db2.gz JEFHKTIFIMYZEA-KBPBESRZSA-N 1 2 329.360 2.113 10 5 EEBELO Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(F)cc1[N+](=O)[O-] ZINC000292524127 464261217 /nfs/dbraw/zinc/26/12/17/464261217.db2.gz HGOZZCQTOQVVAL-UHFFFAOYSA-N 1 2 331.351 2.467 10 5 EEBELO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000265478531 464574599 /nfs/dbraw/zinc/57/45/99/464574599.db2.gz BWUFLKKFQQSIJR-UHFFFAOYSA-N 1 2 333.779 2.360 10 5 EEBELO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000182222311 464603695 /nfs/dbraw/zinc/60/36/95/464603695.db2.gz ILUMGNBXARDVRR-WBMJQRKESA-N 1 2 339.823 2.401 10 5 EEBELO COc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286229068 464847619 /nfs/dbraw/zinc/84/76/19/464847619.db2.gz DNWVTOKYFOQVGD-VXGBXAGGSA-N 1 2 339.367 2.042 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305768913 466456377 /nfs/dbraw/zinc/45/63/77/466456377.db2.gz VFACLKYFTHHECZ-ISTVAULSSA-N 1 2 341.795 2.278 10 5 EEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305768913 466456381 /nfs/dbraw/zinc/45/63/81/466456381.db2.gz VFACLKYFTHHECZ-ISTVAULSSA-N 1 2 341.795 2.278 10 5 EEBELO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367639470 466463866 /nfs/dbraw/zinc/46/38/66/466463866.db2.gz VMFIEJDWPURRAW-UHFFFAOYSA-N 1 2 333.388 2.437 10 5 EEBELO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1noc(C2CC2)n1 ZINC000449303012 467629439 /nfs/dbraw/zinc/62/94/39/467629439.db2.gz VZKHKEUBLJMVTG-SNVBAGLBSA-N 1 2 345.359 2.362 10 5 EEBELO Cc1c(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000572089107 468883298 /nfs/dbraw/zinc/88/32/98/468883298.db2.gz MRRORVHXNVKIDJ-UHFFFAOYSA-N 1 2 331.376 2.016 10 5 EEBELO Cc1c(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000572089107 468883304 /nfs/dbraw/zinc/88/33/04/468883304.db2.gz MRRORVHXNVKIDJ-UHFFFAOYSA-N 1 2 331.376 2.016 10 5 EEBELO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000598944204 469060568 /nfs/dbraw/zinc/06/05/68/469060568.db2.gz KGGWDRWNCJMNRF-SNVBAGLBSA-N 1 2 340.261 2.165 10 5 EEBELO O=C(N[C@@H]1CCc2c[nH+]cn2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000587061868 469084611 /nfs/dbraw/zinc/08/46/11/469084611.db2.gz KTHBMEQYBDZJFB-SNVBAGLBSA-N 1 2 325.328 2.017 10 5 EEBELO O=[N+]([O-])c1cc2c(nc1NC1CC([NH+]3CCOCC3)C1)CCCC2 ZINC000599092090 469115661 /nfs/dbraw/zinc/11/56/61/469115661.db2.gz FHIVWOSKFJUTPR-UHFFFAOYSA-N 1 2 332.404 2.144 10 5 EEBELO CCOCC[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)CC1 ZINC000596114459 469162409 /nfs/dbraw/zinc/16/24/09/469162409.db2.gz KHSSITRIXUMMOR-UHFFFAOYSA-N 1 2 343.811 2.415 10 5 EEBELO CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596549901 469299114 /nfs/dbraw/zinc/29/91/14/469299114.db2.gz BPXLZAYNMDSHNR-QGZVFWFLSA-N 1 2 341.415 2.218 10 5 EEBELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000596549901 469299115 /nfs/dbraw/zinc/29/91/15/469299115.db2.gz BPXLZAYNMDSHNR-QGZVFWFLSA-N 1 2 341.415 2.218 10 5 EEBELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000599654489 469326085 /nfs/dbraw/zinc/32/60/85/469326085.db2.gz MPKBOQILSDFRHY-SQWLQELKSA-N 1 2 334.372 2.464 10 5 EEBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000599654489 469326088 /nfs/dbraw/zinc/32/60/88/469326088.db2.gz MPKBOQILSDFRHY-SQWLQELKSA-N 1 2 334.372 2.464 10 5 EEBELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599654487 469326880 /nfs/dbraw/zinc/32/68/80/469326880.db2.gz MPKBOQILSDFRHY-IIAWOOMASA-N 1 2 334.372 2.464 10 5 EEBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599654487 469326882 /nfs/dbraw/zinc/32/68/82/469326882.db2.gz MPKBOQILSDFRHY-IIAWOOMASA-N 1 2 334.372 2.464 10 5 EEBELO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000739385802 578051465 /nfs/dbraw/zinc/05/14/65/578051465.db2.gz XAUGVTXPWHFQGY-UHFFFAOYSA-N 1 2 336.304 2.182 10 5 EEBELO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000927765981 682034762 /nfs/dbraw/zinc/03/47/62/682034762.db2.gz XEMACRKXUIMQHJ-UHFFFAOYSA-N 1 2 334.401 2.351 10 5 EEBELO CCC[N@H+](CCNC(=O)c1ncc[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001481135081 1179878859 /nfs/dbraw/zinc/87/88/59/1179878859.db2.gz HEKBCMPHQGGUCE-UHFFFAOYSA-N 1 2 337.405 2.021 10 5 EEBELO CCC[N@@H+](CCNC(=O)c1ncc[nH]1)Cc1csc([N+](=O)[O-])c1 ZINC001481135081 1179878869 /nfs/dbraw/zinc/87/88/69/1179878869.db2.gz HEKBCMPHQGGUCE-UHFFFAOYSA-N 1 2 337.405 2.021 10 5 EEBELO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000857900681 1293947890 /nfs/dbraw/zinc/94/78/90/1293947890.db2.gz DPALXVBALVAZSQ-QMMMGPOBSA-N 1 2 325.371 2.191 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@](CO)(C(F)(F)F)C3)nc2c1 ZINC000886799410 1296744667 /nfs/dbraw/zinc/74/46/67/1296744667.db2.gz QMUWMFXLBONVIE-CYBMUJFWSA-N 1 2 345.277 2.483 10 5 EEBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@](CO)(C(F)(F)F)C3)nc2c1 ZINC000886799410 1296744677 /nfs/dbraw/zinc/74/46/77/1296744677.db2.gz QMUWMFXLBONVIE-CYBMUJFWSA-N 1 2 345.277 2.483 10 5 EEBELO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)n1 ZINC001303306730 1331352289 /nfs/dbraw/zinc/35/22/89/1331352289.db2.gz QVCRMMDQYKSDEZ-INIZCTEOSA-N 1 2 344.346 2.224 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC001616538107 1352329467 /nfs/dbraw/zinc/32/94/67/1352329467.db2.gz GETDMGYJFRNRSK-HNNXBMFYSA-N 1 2 348.330 2.344 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3c[nH]nc3C[C@@H](C)C2)c1 ZINC001560143565 1342508086 /nfs/dbraw/zinc/50/80/86/1342508086.db2.gz FKIPXHHZYBVWQP-LLVKDONJSA-N 1 2 344.371 2.299 10 5 EEBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3c[nH]nc3C[C@@H](C)C2)c1 ZINC001560143565 1342508089 /nfs/dbraw/zinc/50/80/89/1342508089.db2.gz FKIPXHHZYBVWQP-LLVKDONJSA-N 1 2 344.371 2.299 10 5 EEBELO CCc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1C ZINC001584301187 1348728613 /nfs/dbraw/zinc/72/86/13/1348728613.db2.gz GDYPWFTYPOQVJW-UHFFFAOYSA-N 1 2 340.343 2.329 10 5 EEBELO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccnc1 ZINC001596898549 1349913704 /nfs/dbraw/zinc/91/37/04/1349913704.db2.gz RGNPXLAWGMPTGZ-HNNXBMFYSA-N 1 2 344.371 2.118 10 5 EEBELO O=C(Nc1ccn(CCF)n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001597468146 1349925428 /nfs/dbraw/zinc/92/54/28/1349925428.db2.gz HPYIQIJZFSOYIQ-UHFFFAOYSA-N 1 2 344.306 2.199 10 5 EEBELO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001625506621 1352450433 /nfs/dbraw/zinc/45/04/33/1352450433.db2.gz IDJRHKYAOCHPIH-UPJWGTAASA-N 1 2 335.404 2.397 10 5 EEBELO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ccncc3[N+](=O)[O-])C2)cc1 ZINC001651340995 1354049249 /nfs/dbraw/zinc/04/92/49/1354049249.db2.gz WNGPABABXBFLMW-INIZCTEOSA-N 1 2 342.399 2.033 10 5 EEBELO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ccncc3[N+](=O)[O-])C2)cc1 ZINC001651340995 1354049250 /nfs/dbraw/zinc/04/92/50/1354049250.db2.gz WNGPABABXBFLMW-INIZCTEOSA-N 1 2 342.399 2.033 10 5 EEBELO C[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001687575583 1354146243 /nfs/dbraw/zinc/14/62/43/1354146243.db2.gz VFLPTZDAWWQAJB-GFCCVEGCSA-N 1 2 329.360 2.462 10 5 EEBELO Cn1c[nH+]cc1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001136840090 788094499 /nfs/dbraw/zinc/09/44/99/788094499.db2.gz CQBAOJBLEAJJEY-OAHLLOKOSA-N 1 2 332.385 2.145 10 5 EEBELO CC[C@@H](C[C@H](C)O)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001174729483 797853309 /nfs/dbraw/zinc/85/33/09/797853309.db2.gz VVYGWSNQJIYESK-AAEUAGOBSA-N 1 2 332.360 2.060 10 5 EEBELO