smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000359883561 286221175 /nfs/dbraw/zinc/22/11/75/286221175.db2.gz WMKINYILKDSSHN-CYBMUJFWSA-N 1 2 328.368 3.387 10 5 EGBELO COc1cc(C[N@H+]2Cc3ccccc3OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000359883561 286221176 /nfs/dbraw/zinc/22/11/76/286221176.db2.gz WMKINYILKDSSHN-CYBMUJFWSA-N 1 2 328.368 3.387 10 5 EGBELO COc1ccc(OCc2c[nH+]cn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000358969594 167022678 /nfs/dbraw/zinc/02/26/78/167022678.db2.gz SMFXSOCQWNOGQN-UHFFFAOYSA-N 1 2 339.351 3.427 10 5 EGBELO CCn1ncnc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000359077785 167060433 /nfs/dbraw/zinc/06/04/33/167060433.db2.gz ZOVRAQIAYMCWGN-SFHVURJKSA-N 1 2 337.383 3.085 10 5 EGBELO CCn1ncnc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000359077784 167060605 /nfs/dbraw/zinc/06/06/05/167060605.db2.gz ZOVRAQIAYMCWGN-GOSISDBHSA-N 1 2 337.383 3.085 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367740305 168265362 /nfs/dbraw/zinc/26/53/62/168265362.db2.gz KTBIZNSBGRFDKU-CYBMUJFWSA-N 1 2 330.363 3.012 10 5 EGBELO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339076886 277314381 /nfs/dbraw/zinc/31/43/81/277314381.db2.gz GSWUTABUUMWRAZ-UHFFFAOYSA-N 1 2 330.384 3.074 10 5 EGBELO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339076886 277314382 /nfs/dbraw/zinc/31/43/82/277314382.db2.gz GSWUTABUUMWRAZ-UHFFFAOYSA-N 1 2 330.384 3.074 10 5 EGBELO O=[N+]([O-])c1cnc(NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000301272301 308694302 /nfs/dbraw/zinc/69/43/02/308694302.db2.gz KMHTVJKCSYLQIW-UHFFFAOYSA-N 1 2 333.779 3.119 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000413206871 309021470 /nfs/dbraw/zinc/02/14/70/309021470.db2.gz QFJNFJUOTANBAO-GJZGRUSLSA-N 1 2 327.384 3.396 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[C@H]3CCCC[C@@H]3O)c2c1 ZINC000413211443 309021741 /nfs/dbraw/zinc/02/17/41/309021741.db2.gz XCFCLVYHCANHGL-PBHICJAKSA-N 1 2 329.400 3.308 10 5 EGBELO C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000505586819 312027229 /nfs/dbraw/zinc/02/72/29/312027229.db2.gz WHRDLHLUXOIPKB-LBPRGKRZSA-N 1 2 348.353 3.151 10 5 EGBELO C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000505586818 312027397 /nfs/dbraw/zinc/02/73/97/312027397.db2.gz WHRDLHLUXOIPKB-GFCCVEGCSA-N 1 2 348.353 3.151 10 5 EGBELO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249296 314034136 /nfs/dbraw/zinc/03/41/36/314034136.db2.gz WLZWSBPNYFFDAF-AWEZNQCLSA-N 1 2 345.443 3.038 10 5 EGBELO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249296 314034139 /nfs/dbraw/zinc/03/41/39/314034139.db2.gz WLZWSBPNYFFDAF-AWEZNQCLSA-N 1 2 345.443 3.038 10 5 EGBELO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184184030 323645911 /nfs/dbraw/zinc/64/59/11/323645911.db2.gz ZBLHPYWKNXROJK-WDEREUQCSA-N 1 2 334.401 3.038 10 5 EGBELO C[C@]12CCCC[C@H]1CN2C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600761509 460593669 /nfs/dbraw/zinc/59/36/69/460593669.db2.gz RDRXKXIJICWQAC-KSSFIOAISA-N 1 2 340.383 3.185 10 5 EGBELO C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600759392 460593698 /nfs/dbraw/zinc/59/36/98/460593698.db2.gz QECLEWJVBURPGQ-KSSFIOAISA-N 1 2 340.383 3.185 10 5 EGBELO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000184221961 455363911 /nfs/dbraw/zinc/36/39/11/455363911.db2.gz AGVMPMMBHROYFF-NWDGAFQWSA-N 1 2 348.428 3.346 10 5 EGBELO Cc1noc(C)c1C[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000067411023 453929703 /nfs/dbraw/zinc/92/97/03/453929703.db2.gz XHNUTQIHEJXCPG-CQSZACIVSA-N 1 2 344.415 3.078 10 5 EGBELO Cc1noc(C)c1CN1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000067411023 453929704 /nfs/dbraw/zinc/92/97/04/453929704.db2.gz XHNUTQIHEJXCPG-CQSZACIVSA-N 1 2 344.415 3.078 10 5 EGBELO COC(=O)c1ccc([C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000089267221 454131992 /nfs/dbraw/zinc/13/19/92/454131992.db2.gz RSMVJNOJEBADPN-LLVKDONJSA-N 1 2 330.340 3.094 10 5 EGBELO COC(=O)c1ccc([C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000089267221 454131996 /nfs/dbraw/zinc/13/19/96/454131996.db2.gz RSMVJNOJEBADPN-LLVKDONJSA-N 1 2 330.340 3.094 10 5 EGBELO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1[N+](=O)[O-] ZINC000090224825 454295018 /nfs/dbraw/zinc/29/50/18/454295018.db2.gz HQVWYSFARPUDPD-BXUZGUMPSA-N 1 2 345.403 3.079 10 5 EGBELO O=C(c1ccc(O)cc1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000078820217 454325066 /nfs/dbraw/zinc/32/50/66/454325066.db2.gz CGMFZUNXNFWQKI-UHFFFAOYSA-N 1 2 346.408 3.457 10 5 EGBELO C[C@@H]1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000052218641 454662952 /nfs/dbraw/zinc/66/29/52/454662952.db2.gz AFFOVJDURSPBIH-ZIAGYGMSSA-N 1 2 342.399 3.216 10 5 EGBELO CCc1cccc(NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153051360 454755927 /nfs/dbraw/zinc/75/59/27/454755927.db2.gz SXQGIHQOSNNDLA-UHFFFAOYSA-N 1 2 339.395 3.154 10 5 EGBELO CCc1cccc(NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153051360 454755929 /nfs/dbraw/zinc/75/59/29/454755929.db2.gz SXQGIHQOSNNDLA-UHFFFAOYSA-N 1 2 339.395 3.154 10 5 EGBELO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192518884 455635474 /nfs/dbraw/zinc/63/54/74/455635474.db2.gz UOPZQSQWXPGKGK-LLVKDONJSA-N 1 2 336.392 3.074 10 5 EGBELO O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cc[nH+]c2)cc1OC(F)F ZINC000271436011 455635559 /nfs/dbraw/zinc/63/55/59/455635559.db2.gz WWNQQMYDALLZNI-LBPRGKRZSA-N 1 2 338.314 3.062 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCNc1cccc[nH+]1 ZINC000278084461 455753805 /nfs/dbraw/zinc/75/38/05/455753805.db2.gz XLGMKYLFADOZPC-UHFFFAOYSA-N 1 2 348.790 3.184 10 5 EGBELO COCC[N@@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000302031000 456272465 /nfs/dbraw/zinc/27/24/65/456272465.db2.gz NCJBBOICQWQQSH-JTQLQIEISA-N 1 2 348.230 3.059 10 5 EGBELO COCC[N@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000302031000 456272468 /nfs/dbraw/zinc/27/24/68/456272468.db2.gz NCJBBOICQWQQSH-JTQLQIEISA-N 1 2 348.230 3.059 10 5 EGBELO Cc1cn2cc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)ccc2[nH+]1 ZINC000339261734 457026115 /nfs/dbraw/zinc/02/61/15/457026115.db2.gz CKSVVIAGJRDZFG-UHFFFAOYSA-N 1 2 335.323 3.285 10 5 EGBELO CSc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000370630487 457686620 /nfs/dbraw/zinc/68/66/20/457686620.db2.gz HYTWGEDELLMSIR-UHFFFAOYSA-N 1 2 346.412 3.060 10 5 EGBELO CSc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000370630487 457686624 /nfs/dbraw/zinc/68/66/24/457686624.db2.gz HYTWGEDELLMSIR-UHFFFAOYSA-N 1 2 346.412 3.060 10 5 EGBELO Cc1cn2c([nH+]1)CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000371705569 458041673 /nfs/dbraw/zinc/04/16/73/458041673.db2.gz DUABZDYVUUHYFW-UHFFFAOYSA-N 1 2 326.278 3.139 10 5 EGBELO CC[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000376022443 458168054 /nfs/dbraw/zinc/16/80/54/458168054.db2.gz SQLVUDOBPZYIGI-BBRMVZONSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000376022443 458168056 /nfs/dbraw/zinc/16/80/56/458168056.db2.gz SQLVUDOBPZYIGI-BBRMVZONSA-N 1 2 340.807 3.018 10 5 EGBELO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCCC2 ZINC000372350705 458285167 /nfs/dbraw/zinc/28/51/67/458285167.db2.gz SGFROSZLYFTLQH-LLVKDONJSA-N 1 2 349.822 3.417 10 5 EGBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459764002 458472124 /nfs/dbraw/zinc/47/21/24/458472124.db2.gz NFTFXSAWGKKUTE-OAHLLOKOSA-N 1 2 348.786 3.004 10 5 EGBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459764002 458472127 /nfs/dbraw/zinc/47/21/27/458472127.db2.gz NFTFXSAWGKKUTE-OAHLLOKOSA-N 1 2 348.786 3.004 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470955571 458668138 /nfs/dbraw/zinc/66/81/38/458668138.db2.gz MKMNEQMIGVCRGV-JQWIXIFHSA-N 1 2 345.321 3.114 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470955571 458668143 /nfs/dbraw/zinc/66/81/43/458668143.db2.gz MKMNEQMIGVCRGV-JQWIXIFHSA-N 1 2 345.321 3.114 10 5 EGBELO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccc([N+](=O)[O-])cn1 ZINC000532137266 459035682 /nfs/dbraw/zinc/03/56/82/459035682.db2.gz AQKQDVSERUZULA-UHFFFAOYSA-N 1 2 337.339 3.386 10 5 EGBELO COC(=O)c1cc(NCCc2[nH+]cc(C)cc2C)cc(C)c1[N+](=O)[O-] ZINC000594596248 459103480 /nfs/dbraw/zinc/10/34/80/459103480.db2.gz QTHLKWHZAKXWAK-UHFFFAOYSA-N 1 2 343.383 3.356 10 5 EGBELO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595288082 459267666 /nfs/dbraw/zinc/26/76/66/459267666.db2.gz YEBRZQCUKKGNNT-AWEZNQCLSA-N 1 2 347.371 3.246 10 5 EGBELO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595288082 459267670 /nfs/dbraw/zinc/26/76/70/459267670.db2.gz YEBRZQCUKKGNNT-AWEZNQCLSA-N 1 2 347.371 3.246 10 5 EGBELO Cc1noc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595328770 459277906 /nfs/dbraw/zinc/27/79/06/459277906.db2.gz ZFQMMBSZHQUTRK-CJNGLKHVSA-N 1 2 345.399 3.470 10 5 EGBELO Cc1noc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595328770 459277913 /nfs/dbraw/zinc/27/79/13/459277913.db2.gz ZFQMMBSZHQUTRK-CJNGLKHVSA-N 1 2 345.399 3.470 10 5 EGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000591845642 459454064 /nfs/dbraw/zinc/45/40/64/459454064.db2.gz FAAFXAMJOCPCDO-SECBINFHSA-N 1 2 335.148 3.444 10 5 EGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000591845642 459454071 /nfs/dbraw/zinc/45/40/71/459454071.db2.gz FAAFXAMJOCPCDO-SECBINFHSA-N 1 2 335.148 3.444 10 5 EGBELO COc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596159943 459542417 /nfs/dbraw/zinc/54/24/17/459542417.db2.gz SVSPRBFOIDQIEZ-UHFFFAOYSA-N 1 2 336.779 3.364 10 5 EGBELO COc1cc(N2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596159943 459542419 /nfs/dbraw/zinc/54/24/19/459542419.db2.gz SVSPRBFOIDQIEZ-UHFFFAOYSA-N 1 2 336.779 3.364 10 5 EGBELO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922382 459611440 /nfs/dbraw/zinc/61/14/40/459611440.db2.gz CIKFPRBIZILWRZ-CHWSQXEVSA-N 1 2 327.375 3.317 10 5 EGBELO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922382 459611442 /nfs/dbraw/zinc/61/14/42/459611442.db2.gz CIKFPRBIZILWRZ-CHWSQXEVSA-N 1 2 327.375 3.317 10 5 EGBELO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000597245534 459894307 /nfs/dbraw/zinc/89/43/07/459894307.db2.gz ZOKPXEPHKWWUQM-DGCLKSJQSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000597245534 459894311 /nfs/dbraw/zinc/89/43/11/459894311.db2.gz ZOKPXEPHKWWUQM-DGCLKSJQSA-N 1 2 332.322 3.445 10 5 EGBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2[nH+]ccn2c1 ZINC000609793927 460020499 /nfs/dbraw/zinc/02/04/99/460020499.db2.gz ZWAASHJEXDTVRM-UHFFFAOYSA-N 1 2 330.731 3.077 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000589494282 460094539 /nfs/dbraw/zinc/09/45/39/460094539.db2.gz HNMRGLSVSAJMOP-MRXNPFEDSA-N 1 2 329.356 3.047 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000589494282 460094548 /nfs/dbraw/zinc/09/45/48/460094548.db2.gz HNMRGLSVSAJMOP-MRXNPFEDSA-N 1 2 329.356 3.047 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000589495949 460096087 /nfs/dbraw/zinc/09/60/87/460096087.db2.gz MLWDPKRDQBOOJQ-OAHLLOKOSA-N 1 2 345.355 3.015 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000589495949 460096096 /nfs/dbraw/zinc/09/60/96/460096096.db2.gz MLWDPKRDQBOOJQ-OAHLLOKOSA-N 1 2 345.355 3.015 10 5 EGBELO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000599056313 460143957 /nfs/dbraw/zinc/14/39/57/460143957.db2.gz WRWSKPUJIKVMDP-RNCFNFMXSA-N 1 2 341.289 3.299 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000599059191 460145699 /nfs/dbraw/zinc/14/56/99/460145699.db2.gz OQTYVXRTAGCODV-LSDHHAIUSA-N 1 2 327.384 3.396 10 5 EGBELO CCO[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H]1SC ZINC000599095480 460159724 /nfs/dbraw/zinc/15/97/24/460159724.db2.gz WGBGMDUENAAXTA-FMKPAKJESA-N 1 2 333.413 3.464 10 5 EGBELO COc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH+]c1 ZINC000610890360 460256868 /nfs/dbraw/zinc/25/68/68/460256868.db2.gz KUJYAPILLZDAJU-UHFFFAOYSA-N 1 2 342.380 3.156 10 5 EGBELO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895577448 1309409574 /nfs/dbraw/zinc/40/95/74/1309409574.db2.gz KSNAFZODEBNMEJ-GFCCVEGCSA-N 1 2 338.713 3.401 10 5 EGBELO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000895577448 1309409576 /nfs/dbraw/zinc/40/95/76/1309409576.db2.gz KSNAFZODEBNMEJ-GFCCVEGCSA-N 1 2 338.713 3.401 10 5 EGBELO 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CC(C)(C)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000340566577 456534347 /nfs/dbraw/zinc/53/43/47/456534347.db2.gz DBCHSNUUZVOONM-WFASDCNBSA-N 1 2 328.359 3.102 10 5 EGBELO Cc1nc(C)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000340811719 456698094 /nfs/dbraw/zinc/69/80/94/456698094.db2.gz FPAOTIPSVFEVDB-UHFFFAOYSA-N 1 2 343.368 3.106 10 5 EGBELO CCCC[N@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301195695 456818854 /nfs/dbraw/zinc/81/88/54/456818854.db2.gz NZVRYBQFZSOTIQ-UHFFFAOYSA-N 1 2 343.387 3.069 10 5 EGBELO CCCC[N@@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000301195695 456818859 /nfs/dbraw/zinc/81/88/59/456818859.db2.gz NZVRYBQFZSOTIQ-UHFFFAOYSA-N 1 2 343.387 3.069 10 5 EGBELO Cc1cc(N[C@@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277435069 456823933 /nfs/dbraw/zinc/82/39/33/456823933.db2.gz IZXMQMMPWVDGAH-IAQYHMDHSA-N 1 2 328.372 3.197 10 5 EGBELO Cc1[nH]c2ccc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)cc2[nH+]1 ZINC000358857899 457008839 /nfs/dbraw/zinc/00/88/39/457008839.db2.gz GIPULGMGJFDUCU-UHFFFAOYSA-N 1 2 334.339 3.086 10 5 EGBELO Cc1[nH]c2cc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)ccc2[nH+]1 ZINC000358857899 457008845 /nfs/dbraw/zinc/00/88/45/457008845.db2.gz GIPULGMGJFDUCU-UHFFFAOYSA-N 1 2 334.339 3.086 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000351977661 457326530 /nfs/dbraw/zinc/32/65/30/457326530.db2.gz IXWNJSWJMLCAKE-GOSISDBHSA-N 1 2 346.358 3.316 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000351977661 457326535 /nfs/dbraw/zinc/32/65/35/457326535.db2.gz IXWNJSWJMLCAKE-GOSISDBHSA-N 1 2 346.358 3.316 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000363869902 457459867 /nfs/dbraw/zinc/45/98/67/457459867.db2.gz RWYFBCRRCBAZJS-ZDUSSCGKSA-N 1 2 329.404 3.072 10 5 EGBELO Cc1ccncc1C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361409063 457721454 /nfs/dbraw/zinc/72/14/54/457721454.db2.gz FINYBNTYTXVISA-UHFFFAOYSA-N 1 2 348.790 3.022 10 5 EGBELO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361409063 457721458 /nfs/dbraw/zinc/72/14/58/457721458.db2.gz FINYBNTYTXVISA-UHFFFAOYSA-N 1 2 348.790 3.022 10 5 EGBELO CC1=C[C@H](C)C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269644 458431732 /nfs/dbraw/zinc/43/17/32/458431732.db2.gz ROORLNXHPJLDJT-CMPLNLGQSA-N 1 2 337.807 3.473 10 5 EGBELO CC1=C[C@H](C)C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269644 458431734 /nfs/dbraw/zinc/43/17/34/458431734.db2.gz ROORLNXHPJLDJT-CMPLNLGQSA-N 1 2 337.807 3.473 10 5 EGBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C2CCCC1CCC2 ZINC000590670911 459176307 /nfs/dbraw/zinc/17/63/07/459176307.db2.gz CUWUXHKZPHVBEL-UHFFFAOYSA-N 1 2 340.383 3.328 10 5 EGBELO Cc1noc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000595560197 459347546 /nfs/dbraw/zinc/34/75/46/459347546.db2.gz JOPPVQKRMIDNOK-JYJNAYRXSA-N 1 2 343.383 3.386 10 5 EGBELO Cc1noc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC000595560197 459347548 /nfs/dbraw/zinc/34/75/48/459347548.db2.gz JOPPVQKRMIDNOK-JYJNAYRXSA-N 1 2 343.383 3.386 10 5 EGBELO Cc1nc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)co1 ZINC000595562717 459348896 /nfs/dbraw/zinc/34/88/96/459348896.db2.gz LDPIXXNQUHGUHW-QAQDUYKDSA-N 1 2 345.399 3.197 10 5 EGBELO Cc1nc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)co1 ZINC000595562717 459348899 /nfs/dbraw/zinc/34/88/99/459348899.db2.gz LDPIXXNQUHGUHW-QAQDUYKDSA-N 1 2 345.399 3.197 10 5 EGBELO O=C(C[N@@H+]1CCC[C@H](CCF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595755372 459427839 /nfs/dbraw/zinc/42/78/39/459427839.db2.gz MEEMOCAYRQZAGJ-LLVKDONJSA-N 1 2 343.786 3.258 10 5 EGBELO O=C(C[N@H+]1CCC[C@H](CCF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595755372 459427842 /nfs/dbraw/zinc/42/78/42/459427842.db2.gz MEEMOCAYRQZAGJ-LLVKDONJSA-N 1 2 343.786 3.258 10 5 EGBELO CCO[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@H]1SC ZINC000591989998 459506042 /nfs/dbraw/zinc/50/60/42/459506042.db2.gz BPTHEVBTBOGCSL-KFWWJZLASA-N 1 2 333.413 3.464 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(NCCc2cn3c(cccc3C)[nH+]2)n1 ZINC000592007010 459509965 /nfs/dbraw/zinc/50/99/65/459509965.db2.gz VZXJXKQWDZQGJQ-UHFFFAOYSA-N 1 2 325.372 3.217 10 5 EGBELO COc1cc(N2CCC(n3cc[nH+]c3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596098191 459520136 /nfs/dbraw/zinc/52/01/36/459520136.db2.gz PSFCTZKOWCLOEC-UHFFFAOYSA-N 1 2 336.779 3.295 10 5 EGBELO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000499262756 459630526 /nfs/dbraw/zinc/63/05/26/459630526.db2.gz IIAHDWPVSMWKOI-CYBMUJFWSA-N 1 2 347.793 3.410 10 5 EGBELO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000499262756 459630533 /nfs/dbraw/zinc/63/05/33/459630533.db2.gz IIAHDWPVSMWKOI-CYBMUJFWSA-N 1 2 347.793 3.410 10 5 EGBELO Cc1c[nH+]c(C)nc1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000574823238 459878721 /nfs/dbraw/zinc/87/87/21/459878721.db2.gz JDKSPWSGQJPXTG-UHFFFAOYSA-N 1 2 326.278 3.054 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593473363 459899731 /nfs/dbraw/zinc/89/97/31/459899731.db2.gz BGNBZHUARMSVAL-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO CC[N@H+](CCCNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCCC1 ZINC000593786355 459985514 /nfs/dbraw/zinc/98/55/14/459985514.db2.gz MTLMYVIJQCKFPT-UHFFFAOYSA-N 1 2 349.431 3.075 10 5 EGBELO CC[N@@H+](CCCNC(=O)c1cccc(O)c1[N+](=O)[O-])C1CCCCC1 ZINC000593786355 459985520 /nfs/dbraw/zinc/98/55/20/459985520.db2.gz MTLMYVIJQCKFPT-UHFFFAOYSA-N 1 2 349.431 3.075 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cc(C)ccc2F)c1 ZINC000589515167 460098846 /nfs/dbraw/zinc/09/88/46/460098846.db2.gz OLSJATKMZJMDOX-UHFFFAOYSA-N 1 2 346.358 3.461 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cc(C)ccc2F)c1 ZINC000589515167 460098851 /nfs/dbraw/zinc/09/88/51/460098851.db2.gz OLSJATKMZJMDOX-UHFFFAOYSA-N 1 2 346.358 3.461 10 5 EGBELO CC(C)c1nnc(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])n1C ZINC000599064022 460147275 /nfs/dbraw/zinc/14/72/75/460147275.db2.gz AONXIVKJXKKZNX-UHFFFAOYSA-N 1 2 326.360 3.007 10 5 EGBELO CCOC(=O)[C@@H]1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599070845 460151251 /nfs/dbraw/zinc/15/12/51/460151251.db2.gz KLHVTQRUDCIWAO-YPMHNXCESA-N 1 2 329.356 3.287 10 5 EGBELO CC(C)[C@@]1(CO)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086328 460156535 /nfs/dbraw/zinc/15/65/35/460156535.db2.gz JRJSYWQTHZBGIK-SFHVURJKSA-N 1 2 329.400 3.378 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3cc(C)cc[nH+]3)C2)c1 ZINC000599100283 460162188 /nfs/dbraw/zinc/16/21/88/460162188.db2.gz LRUBUTYZUZAICX-CQSZACIVSA-N 1 2 341.367 3.079 10 5 EGBELO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502380 460379775 /nfs/dbraw/zinc/37/97/75/460379775.db2.gz RRTBNUZZOSNEDD-MWLCHTKSSA-N 1 2 348.321 3.385 10 5 EGBELO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502380 460379780 /nfs/dbraw/zinc/37/97/80/460379780.db2.gz RRTBNUZZOSNEDD-MWLCHTKSSA-N 1 2 348.321 3.385 10 5 EGBELO C[C@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c2[nH+]ccn21 ZINC000601616656 460848305 /nfs/dbraw/zinc/84/83/05/460848305.db2.gz FNTFTLYWWOMOJT-WFASDCNBSA-N 1 2 340.383 3.035 10 5 EGBELO O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067512659 546567371 /nfs/dbraw/zinc/56/73/71/546567371.db2.gz ZTCABXDWRKQURB-HOTGVXAUSA-N 1 2 348.362 3.066 10 5 EGBELO C[C@@H](C[N@H+](C)Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098063 1329145862 /nfs/dbraw/zinc/14/58/62/1329145862.db2.gz KUQYAWYRYSHCFA-JTQLQIEISA-N 1 2 329.422 3.001 10 5 EGBELO C[C@@H](C[N@@H+](C)Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098063 1329145866 /nfs/dbraw/zinc/14/58/66/1329145866.db2.gz KUQYAWYRYSHCFA-JTQLQIEISA-N 1 2 329.422 3.001 10 5 EGBELO CC(=O)c1cc(NC[C@H]2c3ccccc3C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000866194091 1330076385 /nfs/dbraw/zinc/07/63/85/1330076385.db2.gz GUHFERNFZZIELO-SFHVURJKSA-N 1 2 325.368 3.396 10 5 EGBELO CC(=O)c1cc(NC[C@H]2c3ccccc3C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000866194091 1330076386 /nfs/dbraw/zinc/07/63/86/1330076386.db2.gz GUHFERNFZZIELO-SFHVURJKSA-N 1 2 325.368 3.396 10 5 EGBELO O=[N+]([O-])c1ccccc1-c1nnc(C[NH2+]C2(c3ccccc3)CC2)o1 ZINC001192548192 1367813203 /nfs/dbraw/zinc/81/32/03/1367813203.db2.gz ZNODKQKJIJEPTP-UHFFFAOYSA-N 1 2 336.351 3.424 10 5 EGBELO O=[N+]([O-])c1c(N[C@H](Cn2cc[nH+]c2)c2ccccc2)nc2ccccn21 ZINC001187430968 1388106734 /nfs/dbraw/zinc/10/67/34/1388106734.db2.gz UWCOVGOVKPSCNU-OAHLLOKOSA-N 1 2 348.366 3.292 10 5 EGBELO Cc1cn2cc(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001125613632 1372819360 /nfs/dbraw/zinc/81/93/60/1372819360.db2.gz KHJJZHCWYMJAAV-JKSUJKDBSA-N 1 2 336.351 3.293 10 5 EGBELO Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC001127646856 1373152497 /nfs/dbraw/zinc/15/24/97/1373152497.db2.gz WWORILKLBQSOEE-UHFFFAOYSA-N 1 2 339.273 3.300 10 5 EGBELO CC(C)C(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC001128130284 1373221528 /nfs/dbraw/zinc/22/15/28/1373221528.db2.gz MIRAVGIKKQPEMO-UHFFFAOYSA-N 1 2 344.415 3.439 10 5 EGBELO O=C(NCCC[C@H]1C=CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001133081393 1375763691 /nfs/dbraw/zinc/76/36/91/1375763691.db2.gz AADCMGCHELTYSH-AWEZNQCLSA-N 1 2 340.383 3.257 10 5 EGBELO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)ccc1-n1cc[nH+]c1 ZINC001136624594 1377410551 /nfs/dbraw/zinc/41/05/51/1377410551.db2.gz AWSCGYRQJYKLNC-UHFFFAOYSA-N 1 2 340.314 3.480 10 5 EGBELO O=c1[nH]ccc(NCc2c(Cl)cccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC001163373959 1383035676 /nfs/dbraw/zinc/03/56/76/1383035676.db2.gz ZGMXUJBQCJSURI-UHFFFAOYSA-N 1 2 345.746 3.147 10 5 EGBELO C[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)CCO1 ZINC001308165830 1384104334 /nfs/dbraw/zinc/10/43/34/1384104334.db2.gz DGFNAQPOFXBKKB-GHMZBOCLSA-N 1 2 343.221 3.357 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)CCO1 ZINC001308165830 1384104335 /nfs/dbraw/zinc/10/43/35/1384104335.db2.gz DGFNAQPOFXBKKB-GHMZBOCLSA-N 1 2 343.221 3.357 10 5 EGBELO O=C(Nc1cccc(F)c1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001351641474 1391662671 /nfs/dbraw/zinc/66/26/71/1391662671.db2.gz ZQTXRIPQROPXOF-UHFFFAOYSA-N 1 2 344.277 3.311 10 5 EGBELO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000325112181 299346089 /nfs/dbraw/zinc/34/60/89/299346089.db2.gz HBWGKCLEVQBMQK-STQMWFEESA-N 1 2 329.404 3.325 10 5 EGBELO Cc1ncc(C[NH+]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000106090721 204185140 /nfs/dbraw/zinc/18/51/40/204185140.db2.gz VPGFHSMQWKRJJJ-ZDUSSCGKSA-N 1 2 346.456 3.239 10 5 EGBELO Cc1ncc(CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000106090721 204185142 /nfs/dbraw/zinc/18/51/42/204185142.db2.gz VPGFHSMQWKRJJJ-ZDUSSCGKSA-N 1 2 346.456 3.239 10 5 EGBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174840608 207063920 /nfs/dbraw/zinc/06/39/20/207063920.db2.gz JUBPJKPKEFFBFR-CQSZACIVSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174840608 207063923 /nfs/dbraw/zinc/06/39/23/207063923.db2.gz JUBPJKPKEFFBFR-CQSZACIVSA-N 1 2 339.823 3.129 10 5 EGBELO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353460886 141301030 /nfs/dbraw/zinc/30/10/30/141301030.db2.gz LVBOZLMVEBCDMG-UGSOOPFHSA-N 1 2 328.368 3.262 10 5 EGBELO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353460886 141301032 /nfs/dbraw/zinc/30/10/32/141301032.db2.gz LVBOZLMVEBCDMG-UGSOOPFHSA-N 1 2 328.368 3.262 10 5 EGBELO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351873482 144318680 /nfs/dbraw/zinc/31/86/80/144318680.db2.gz YUSWDGUNTZFHKB-JTQLQIEISA-N 1 2 342.342 3.037 10 5 EGBELO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000351873482 144318682 /nfs/dbraw/zinc/31/86/82/144318682.db2.gz YUSWDGUNTZFHKB-JTQLQIEISA-N 1 2 342.342 3.037 10 5 EGBELO Cc1ccc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000363920795 144376835 /nfs/dbraw/zinc/37/68/35/144376835.db2.gz MSHAIVTUIFYSOB-CYBMUJFWSA-N 1 2 329.404 3.072 10 5 EGBELO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000131053037 162388917 /nfs/dbraw/zinc/38/89/17/162388917.db2.gz MIYCCGMQXDCBOV-WFASDCNBSA-N 1 2 329.404 3.325 10 5 EGBELO O=C(Nc1cccc2[nH+]ccn21)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359076477 167059928 /nfs/dbraw/zinc/05/99/28/167059928.db2.gz MHNDSKRHPJPAEG-UHFFFAOYSA-N 1 2 348.265 3.096 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367740306 168264827 /nfs/dbraw/zinc/26/48/27/168264827.db2.gz KTBIZNSBGRFDKU-ZDUSSCGKSA-N 1 2 330.363 3.012 10 5 EGBELO O=C(NCCC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032248858 275122994 /nfs/dbraw/zinc/12/29/94/275122994.db2.gz ZQGLYOVLWXDCSQ-UHFFFAOYSA-N 1 2 328.372 3.091 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361059128 289381369 /nfs/dbraw/zinc/38/13/69/289381369.db2.gz DWFOFYGHQGHNNZ-QWHCGFSZSA-N 1 2 325.368 3.499 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361059128 289381370 /nfs/dbraw/zinc/38/13/70/289381370.db2.gz DWFOFYGHQGHNNZ-QWHCGFSZSA-N 1 2 325.368 3.499 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361072204 289383278 /nfs/dbraw/zinc/38/32/78/289383278.db2.gz FTMNPQUUBMWPAH-QWHCGFSZSA-N 1 2 325.368 3.499 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361072204 289383282 /nfs/dbraw/zinc/38/32/82/289383282.db2.gz FTMNPQUUBMWPAH-QWHCGFSZSA-N 1 2 325.368 3.499 10 5 EGBELO CCOc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000301627470 308708130 /nfs/dbraw/zinc/70/81/30/308708130.db2.gz HIWZPALKFGNZOY-BBRMVZONSA-N 1 2 330.388 3.278 10 5 EGBELO Cc1csc(C2([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)n1 ZINC000444677355 309925484 /nfs/dbraw/zinc/92/54/84/309925484.db2.gz TXCHDKDJPRRLLY-UHFFFAOYSA-N 1 2 343.412 3.405 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1ccsc1 ZINC000447808679 309989312 /nfs/dbraw/zinc/98/93/12/309989312.db2.gz WEUZDUZNSVYFGM-UHFFFAOYSA-N 1 2 347.440 3.143 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(F)c1 ZINC000449425320 310060963 /nfs/dbraw/zinc/06/09/63/310060963.db2.gz QAHHLGFNLARTDQ-WMZOPIPTSA-N 1 2 348.349 3.034 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(F)c1 ZINC000449425320 310060964 /nfs/dbraw/zinc/06/09/64/310060964.db2.gz QAHHLGFNLARTDQ-WMZOPIPTSA-N 1 2 348.349 3.034 10 5 EGBELO CCCOc1cccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000450687340 310137268 /nfs/dbraw/zinc/13/72/68/310137268.db2.gz AMTCABWOXLZCFG-UHFFFAOYSA-N 1 2 327.384 3.337 10 5 EGBELO CCCOc1cccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000450687340 310137269 /nfs/dbraw/zinc/13/72/69/310137269.db2.gz AMTCABWOXLZCFG-UHFFFAOYSA-N 1 2 327.384 3.337 10 5 EGBELO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000007975901 453142780 /nfs/dbraw/zinc/14/27/80/453142780.db2.gz MQZHKMTZXAVUOV-UHFFFAOYSA-N 1 2 337.763 3.220 10 5 EGBELO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000007975901 453142786 /nfs/dbraw/zinc/14/27/86/453142786.db2.gz MQZHKMTZXAVUOV-UHFFFAOYSA-N 1 2 337.763 3.220 10 5 EGBELO Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(-c2ccncc2)[nH+]1 ZINC000057828095 454149115 /nfs/dbraw/zinc/14/91/15/454149115.db2.gz KQDMVDKLLKWCRA-UHFFFAOYSA-N 1 2 335.367 3.410 10 5 EGBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1c[nH]c2ccccc12 ZINC000153067968 454757516 /nfs/dbraw/zinc/75/75/16/454757516.db2.gz AJNVFGQHLGWBSV-UHFFFAOYSA-N 1 2 335.363 3.317 10 5 EGBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1c[nH]c2ccccc12 ZINC000153067968 454757521 /nfs/dbraw/zinc/75/75/21/454757521.db2.gz AJNVFGQHLGWBSV-UHFFFAOYSA-N 1 2 335.363 3.317 10 5 EGBELO CCO[C@@H](C)c1noc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181557822 455355759 /nfs/dbraw/zinc/35/57/59/455355759.db2.gz OHGUSFKFSAVIQE-FZMZJTMJSA-N 1 2 334.376 3.316 10 5 EGBELO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000185488445 455565714 /nfs/dbraw/zinc/56/57/14/455565714.db2.gz SMHVVQNWEPMDGX-GFCCVEGCSA-N 1 2 341.346 3.165 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247163058 455568256 /nfs/dbraw/zinc/56/82/56/455568256.db2.gz SCYBGZRNCYVMOU-FZKQIMNGSA-N 1 2 328.368 3.435 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247163058 455568257 /nfs/dbraw/zinc/56/82/57/455568257.db2.gz SCYBGZRNCYVMOU-FZKQIMNGSA-N 1 2 328.368 3.435 10 5 EGBELO CC(=O)c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000253419860 455843112 /nfs/dbraw/zinc/84/31/12/455843112.db2.gz ICQCBKGTAISFDK-CQSZACIVSA-N 1 2 340.383 3.131 10 5 EGBELO CCC1(CC)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000187566867 455926727 /nfs/dbraw/zinc/92/67/27/455926727.db2.gz STNQPSFPMZSBNA-ISGGHPHESA-N 1 2 336.457 3.231 10 5 EGBELO CCC1(CC)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000187566867 455926733 /nfs/dbraw/zinc/92/67/33/455926733.db2.gz STNQPSFPMZSBNA-ISGGHPHESA-N 1 2 336.457 3.231 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(Sc2[nH+]cc3ccccn32)c1 ZINC000302106842 456289120 /nfs/dbraw/zinc/28/91/20/456289120.db2.gz SIVPSMJMUHOQIV-UHFFFAOYSA-N 1 2 329.337 3.180 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1NC1CCN(c3cccc[nH+]3)CC1)CCN2 ZINC000302393160 456339481 /nfs/dbraw/zinc/33/94/81/456339481.db2.gz CKFYVEVYJWITQS-UHFFFAOYSA-N 1 2 339.399 3.039 10 5 EGBELO CSc1ccc(OCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000352996606 456435293 /nfs/dbraw/zinc/43/52/93/456435293.db2.gz ILNXRLWWLDOXFZ-UHFFFAOYSA-N 1 2 345.424 3.149 10 5 EGBELO CSc1ccc(OCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000352996606 456435300 /nfs/dbraw/zinc/43/53/00/456435300.db2.gz ILNXRLWWLDOXFZ-UHFFFAOYSA-N 1 2 345.424 3.149 10 5 EGBELO C[C@@H]1c2ccccc2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341314721 456842408 /nfs/dbraw/zinc/84/24/08/456842408.db2.gz YYURWBSPJFQBHM-CYBMUJFWSA-N 1 2 348.362 3.498 10 5 EGBELO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346545470 457050244 /nfs/dbraw/zinc/05/02/44/457050244.db2.gz ATMARBWMUQERQY-GOSISDBHSA-N 1 2 338.342 3.403 10 5 EGBELO CCOc1cc(N2CCN(c3c[nH+]ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000359946256 457164238 /nfs/dbraw/zinc/16/42/38/457164238.db2.gz IZYIUPBLNDZCTL-UHFFFAOYSA-N 1 2 342.399 3.024 10 5 EGBELO CCOc1cccc(N2CCN(c3c[nH+]ccc3C)CC2)c1[N+](=O)[O-] ZINC000359951145 457168543 /nfs/dbraw/zinc/16/85/43/457168543.db2.gz XLEUPZOPFHDMDN-UHFFFAOYSA-N 1 2 342.399 3.024 10 5 EGBELO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)ccc1[N+](=O)[O-] ZINC000351978199 457325642 /nfs/dbraw/zinc/32/56/42/457325642.db2.gz OCEVQQOVAXQPIF-UHFFFAOYSA-N 1 2 345.374 3.065 10 5 EGBELO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000374182279 457511971 /nfs/dbraw/zinc/51/19/71/457511971.db2.gz HTAARPCBWHDEBI-HNNXBMFYSA-N 1 2 330.388 3.064 10 5 EGBELO COc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000374182279 457511974 /nfs/dbraw/zinc/51/19/74/457511974.db2.gz HTAARPCBWHDEBI-HNNXBMFYSA-N 1 2 330.388 3.064 10 5 EGBELO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000371435293 457929305 /nfs/dbraw/zinc/92/93/05/457929305.db2.gz BOCYCVWNHGERPD-QWHCGFSZSA-N 1 2 329.404 3.325 10 5 EGBELO COc1cc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429125097 458275536 /nfs/dbraw/zinc/27/55/36/458275536.db2.gz CLPRKVRXLIIAJA-ZDUSSCGKSA-N 1 2 328.368 3.387 10 5 EGBELO COc1cc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429125097 458275544 /nfs/dbraw/zinc/27/55/44/458275544.db2.gz CLPRKVRXLIIAJA-ZDUSSCGKSA-N 1 2 328.368 3.387 10 5 EGBELO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373813648 458611713 /nfs/dbraw/zinc/61/17/13/458611713.db2.gz UWUDBSMCVHJSMG-GOEBONIOSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373813648 458611716 /nfs/dbraw/zinc/61/17/16/458611716.db2.gz UWUDBSMCVHJSMG-GOEBONIOSA-N 1 2 340.807 3.018 10 5 EGBELO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590178791 459098338 /nfs/dbraw/zinc/09/83/38/459098338.db2.gz BBSJFNOQIWHXLO-HQJJXPTPSA-N 1 2 348.443 3.452 10 5 EGBELO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590178791 459098343 /nfs/dbraw/zinc/09/83/43/459098343.db2.gz BBSJFNOQIWHXLO-HQJJXPTPSA-N 1 2 348.443 3.452 10 5 EGBELO COc1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000590759988 459208520 /nfs/dbraw/zinc/20/85/20/459208520.db2.gz AHCIMIMVZONFFY-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO COc1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000590759988 459208526 /nfs/dbraw/zinc/20/85/26/459208526.db2.gz AHCIMIMVZONFFY-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000591845645 459453719 /nfs/dbraw/zinc/45/37/19/459453719.db2.gz FAAFXAMJOCPCDO-VIFPVBQESA-N 1 2 335.148 3.444 10 5 EGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000591845645 459453725 /nfs/dbraw/zinc/45/37/25/459453725.db2.gz FAAFXAMJOCPCDO-VIFPVBQESA-N 1 2 335.148 3.444 10 5 EGBELO Cc1c(C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000595891948 459478124 /nfs/dbraw/zinc/47/81/24/459478124.db2.gz RNWNQRDXVDMWFJ-GWCFXTLKSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1c(C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000595891948 459478131 /nfs/dbraw/zinc/47/81/31/459478131.db2.gz RNWNQRDXVDMWFJ-GWCFXTLKSA-N 1 2 332.322 3.445 10 5 EGBELO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919679 459487256 /nfs/dbraw/zinc/48/72/56/459487256.db2.gz RCRPPTTWAUUBGF-BZNIZROVSA-N 1 2 344.358 3.238 10 5 EGBELO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919679 459487262 /nfs/dbraw/zinc/48/72/62/459487262.db2.gz RCRPPTTWAUUBGF-BZNIZROVSA-N 1 2 344.358 3.238 10 5 EGBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)nc1 ZINC000591972523 459500905 /nfs/dbraw/zinc/50/09/05/459500905.db2.gz RECNIGGEJDQMNL-VXGBXAGGSA-N 1 2 338.371 3.399 10 5 EGBELO COc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596111973 459525366 /nfs/dbraw/zinc/52/53/66/459525366.db2.gz GBWMWNZDALDZJN-LLVKDONJSA-N 1 2 336.779 3.295 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(O)CCC(F)(F)CC3)c2c1 ZINC000596527686 459666703 /nfs/dbraw/zinc/66/67/03/459666703.db2.gz KFRFQKLOVCYNLR-UHFFFAOYSA-N 1 2 337.326 3.495 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598652 459692242 /nfs/dbraw/zinc/69/22/42/459692242.db2.gz KDMBTROYQYXKHT-UHFFFAOYSA-N 1 2 344.415 3.301 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598652 459692249 /nfs/dbraw/zinc/69/22/49/459692249.db2.gz KDMBTROYQYXKHT-UHFFFAOYSA-N 1 2 344.415 3.301 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000589494363 460096230 /nfs/dbraw/zinc/09/62/30/460096230.db2.gz LWKDKFPXXDRLRM-INIZCTEOSA-N 1 2 326.352 3.328 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000589494363 460096239 /nfs/dbraw/zinc/09/62/39/460096239.db2.gz LWKDKFPXXDRLRM-INIZCTEOSA-N 1 2 326.352 3.328 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000589518581 460099147 /nfs/dbraw/zinc/09/91/47/460099147.db2.gz WUBDNYQRNQYOOZ-INIZCTEOSA-N 1 2 341.367 3.114 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000589518581 460099150 /nfs/dbraw/zinc/09/91/50/460099150.db2.gz WUBDNYQRNQYOOZ-INIZCTEOSA-N 1 2 341.367 3.114 10 5 EGBELO CSC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCOCC1 ZINC000599049268 460141483 /nfs/dbraw/zinc/14/14/83/460141483.db2.gz OFMYIIHCZYHYNZ-UHFFFAOYSA-N 1 2 333.413 3.467 10 5 EGBELO C[C@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c2[nH+]ccn21 ZINC000601616654 460848462 /nfs/dbraw/zinc/84/84/62/460848462.db2.gz FNTFTLYWWOMOJT-SWLSCSKDSA-N 1 2 340.383 3.035 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611705049 469305863 /nfs/dbraw/zinc/30/58/63/469305863.db2.gz DKSKKRUJULTTCK-UHFFFAOYSA-N 1 2 326.360 3.003 10 5 EGBELO O=[N+]([O-])c1cc(C[NH2+]Cc2nc(-c3ccncc3)cs2)cs1 ZINC000733331249 575328749 /nfs/dbraw/zinc/32/87/49/575328749.db2.gz HYXIQJDUSFCFQY-UHFFFAOYSA-N 1 2 332.410 3.465 10 5 EGBELO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000694913993 1298156393 /nfs/dbraw/zinc/15/63/93/1298156393.db2.gz XJBKPTLERAXDJA-MNOVXSKESA-N 1 2 343.221 3.357 10 5 EGBELO C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000694913993 1298156398 /nfs/dbraw/zinc/15/63/98/1298156398.db2.gz XJBKPTLERAXDJA-MNOVXSKESA-N 1 2 343.221 3.357 10 5 EGBELO CC(=O)c1ccc(N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000895191542 1309232673 /nfs/dbraw/zinc/23/26/73/1309232673.db2.gz AYJFKSJCMQHVLL-HNNXBMFYSA-N 1 2 328.372 3.479 10 5 EGBELO CC(C)c1ccc(C[NH2+]Cc2noc3c2COCC3)cc1[N+](=O)[O-] ZINC000923016143 1322674357 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ZINC000536006035 314086979 /nfs/dbraw/zinc/08/69/79/314086979.db2.gz XWIXLTJQICSPPZ-UHFFFAOYSA-N 1 2 345.443 3.040 10 5 EGBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCC1CCCCC1 ZINC000536006035 314086982 /nfs/dbraw/zinc/08/69/82/314086982.db2.gz XWIXLTJQICSPPZ-UHFFFAOYSA-N 1 2 345.443 3.040 10 5 EGBELO Cc1cc[nH+]c(C)c1NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558445789 315569677 /nfs/dbraw/zinc/56/96/77/315569677.db2.gz SBHMJGLGVGCUGX-UHFFFAOYSA-N 1 2 326.356 3.197 10 5 EGBELO Cc1sc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000052926806 453849327 /nfs/dbraw/zinc/84/93/27/453849327.db2.gz NWVJZOAEDPMQJI-UHFFFAOYSA-N 1 2 328.353 3.403 10 5 EGBELO O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067512662 453937233 /nfs/dbraw/zinc/93/72/33/453937233.db2.gz ZTCABXDWRKQURB-HZPDHXFCSA-N 1 2 348.362 3.066 10 5 EGBELO O=[N+]([O-])c1c(NCc2cn3cc(Cl)ccc3[nH+]2)nc2sccn21 ZINC000042677888 454020112 /nfs/dbraw/zinc/02/01/12/454020112.db2.gz IQFGGWMXAUKWTC-UHFFFAOYSA-N 1 2 348.775 3.217 10 5 EGBELO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000070019782 454164669 /nfs/dbraw/zinc/16/46/69/454164669.db2.gz XMUCXIYIVJOVJD-CQSZACIVSA-N 1 2 344.390 3.008 10 5 EGBELO Cc1cc(NCC[C@@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058307335 454183377 /nfs/dbraw/zinc/18/33/77/454183377.db2.gz GEFHATWEYJPVMM-HNNXBMFYSA-N 1 2 328.372 3.341 10 5 EGBELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167808394 454923748 /nfs/dbraw/zinc/92/37/48/454923748.db2.gz RPXLTDJVTRPUKR-GXTWGEPZSA-N 1 2 329.404 3.243 10 5 EGBELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167790931 454924139 /nfs/dbraw/zinc/92/41/39/454924139.db2.gz YQEVQMNHPDIJLT-GXTWGEPZSA-N 1 2 329.404 3.243 10 5 EGBELO Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c(C)c[nH+]1 ZINC000612556174 460660001 /nfs/dbraw/zinc/66/00/01/460660001.db2.gz GEOCWLBAFKSLIV-UHFFFAOYSA-N 1 2 339.273 3.300 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000182364217 455498008 /nfs/dbraw/zinc/49/80/08/455498008.db2.gz FZDBRPDBYOFNFV-BMFZPTHFSA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000182364217 455498014 /nfs/dbraw/zinc/49/80/14/455498014.db2.gz FZDBRPDBYOFNFV-BMFZPTHFSA-N 1 2 340.807 3.017 10 5 EGBELO Cc1cc(N(C)[C@@H](CO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000185878312 455641506 /nfs/dbraw/zinc/64/15/06/455641506.db2.gz HXCZKEMBRSDMEB-MRXNPFEDSA-N 1 2 344.415 3.203 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000281275352 456186287 /nfs/dbraw/zinc/18/62/87/456186287.db2.gz FZGLEBMHMKODOR-INIZCTEOSA-N 1 2 330.388 3.064 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000281275352 456186293 /nfs/dbraw/zinc/18/62/93/456186293.db2.gz FZGLEBMHMKODOR-INIZCTEOSA-N 1 2 330.388 3.064 10 5 EGBELO COc1cc(C[N@H+](C)Cc2c(C)nc3sccn23)ccc1[N+](=O)[O-] ZINC000352771557 456292254 /nfs/dbraw/zinc/29/22/54/456292254.db2.gz ZAHVIHIHUPOWPQ-UHFFFAOYSA-N 1 2 346.412 3.253 10 5 EGBELO COc1cc(C[N@@H+](C)Cc2c(C)nc3sccn23)ccc1[N+](=O)[O-] ZINC000352771557 456292257 /nfs/dbraw/zinc/29/22/57/456292257.db2.gz ZAHVIHIHUPOWPQ-UHFFFAOYSA-N 1 2 346.412 3.253 10 5 EGBELO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000340901312 456749410 /nfs/dbraw/zinc/74/94/10/456749410.db2.gz OWUWBXHHGLAYIX-RYUDHWBXSA-N 1 2 339.355 3.452 10 5 EGBELO Cc1nc([C@@H]2CCCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363012224 457195077 /nfs/dbraw/zinc/19/50/77/457195077.db2.gz CZDUIQOXCDJDCZ-INIZCTEOSA-N 1 2 346.387 3.282 10 5 EGBELO Cc1nc([C@@H]2CCCC[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363012224 457195081 /nfs/dbraw/zinc/19/50/81/457195081.db2.gz CZDUIQOXCDJDCZ-INIZCTEOSA-N 1 2 346.387 3.282 10 5 EGBELO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000363057191 457210691 /nfs/dbraw/zinc/21/06/91/457210691.db2.gz ONCXWRABZQAKII-LLVKDONJSA-N 1 2 349.822 3.417 10 5 EGBELO CCn1cnnc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352555233 457463258 /nfs/dbraw/zinc/46/32/58/457463258.db2.gz KRIJKRWZXQAMTC-GOSISDBHSA-N 1 2 337.383 3.085 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444711609 457951214 /nfs/dbraw/zinc/95/12/14/457951214.db2.gz XMNWDUGRAPJABZ-NSHDSACASA-N 1 2 345.321 3.116 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444711609 457951219 /nfs/dbraw/zinc/95/12/19/457951219.db2.gz XMNWDUGRAPJABZ-NSHDSACASA-N 1 2 345.321 3.116 10 5 EGBELO COc1cccc2c1[nH+]c(NCc1ccc([N+](=O)[O-])cc1Cl)n2C ZINC000471476129 458695341 /nfs/dbraw/zinc/69/53/41/458695341.db2.gz NASUKWJAJGSOIO-UHFFFAOYSA-N 1 2 346.774 3.178 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000590178806 459098554 /nfs/dbraw/zinc/09/85/54/459098554.db2.gz CMACBPMRMLQYBW-CGTJXYLNSA-N 1 2 334.416 3.206 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000590178806 459098559 /nfs/dbraw/zinc/09/85/59/459098559.db2.gz CMACBPMRMLQYBW-CGTJXYLNSA-N 1 2 334.416 3.206 10 5 EGBELO CCc1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000590757598 459206919 /nfs/dbraw/zinc/20/69/19/459206919.db2.gz BTLVCJGTJCCKFK-CYBMUJFWSA-N 1 2 332.429 3.388 10 5 EGBELO CCc1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000590757598 459206926 /nfs/dbraw/zinc/20/69/26/459206926.db2.gz BTLVCJGTJCCKFK-CYBMUJFWSA-N 1 2 332.429 3.388 10 5 EGBELO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533804129 459268109 /nfs/dbraw/zinc/26/81/09/459268109.db2.gz ZQLBHBSLWCSEIB-KEYYUXOJSA-N 1 2 345.443 3.036 10 5 EGBELO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533804129 459268112 /nfs/dbraw/zinc/26/81/12/459268112.db2.gz ZQLBHBSLWCSEIB-KEYYUXOJSA-N 1 2 345.443 3.036 10 5 EGBELO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595889977 459476594 /nfs/dbraw/zinc/47/65/94/459476594.db2.gz JZJYXDSUAGYFQI-VXGBXAGGSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595889977 459476603 /nfs/dbraw/zinc/47/66/03/459476603.db2.gz JZJYXDSUAGYFQI-VXGBXAGGSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@](C)(C(F)F)O1 ZINC000596572638 459682592 /nfs/dbraw/zinc/68/25/92/459682592.db2.gz OFERZRJLUQMJFS-HWPZZCPQSA-N 1 2 337.326 3.392 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000598939418 460095295 /nfs/dbraw/zinc/09/52/95/460095295.db2.gz HNLLJCUAUHKJTN-FZKQIMNGSA-N 1 2 339.395 3.267 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000598939423 460096487 /nfs/dbraw/zinc/09/64/87/460096487.db2.gz HNLLJCUAUHKJTN-UGSOOPFHSA-N 1 2 339.395 3.267 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(F)cc2C)c1 ZINC000589512836 460097121 /nfs/dbraw/zinc/09/71/21/460097121.db2.gz LEBUIMCFLKPAAO-UHFFFAOYSA-N 1 2 346.358 3.461 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(F)cc2C)c1 ZINC000589512836 460097129 /nfs/dbraw/zinc/09/71/29/460097129.db2.gz LEBUIMCFLKPAAO-UHFFFAOYSA-N 1 2 346.358 3.461 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000589518504 460099017 /nfs/dbraw/zinc/09/90/17/460099017.db2.gz RVXLNRRJRUCMTK-MRXNPFEDSA-N 1 2 341.367 3.114 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000589518504 460099023 /nfs/dbraw/zinc/09/90/23/460099023.db2.gz RVXLNRRJRUCMTK-MRXNPFEDSA-N 1 2 341.367 3.114 10 5 EGBELO CC(C)(C)c1nnc(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[nH]1 ZINC000599087534 460158265 /nfs/dbraw/zinc/15/82/65/460158265.db2.gz JIXJAVFVTZQVLC-UHFFFAOYSA-N 1 2 326.360 3.171 10 5 EGBELO C[S@](=O)[C@H]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599100366 460161680 /nfs/dbraw/zinc/16/16/80/460161680.db2.gz CJQKGYOFFDEQNN-XCMOZONUSA-N 1 2 333.413 3.245 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180215 460302436 /nfs/dbraw/zinc/30/24/36/460302436.db2.gz UTDIJBOHSLJOTJ-IUCAKERBSA-N 1 2 347.749 3.162 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180215 460302440 /nfs/dbraw/zinc/30/24/40/460302440.db2.gz UTDIJBOHSLJOTJ-IUCAKERBSA-N 1 2 347.749 3.162 10 5 EGBELO CCN1C[C@@H](C[N@H+](C)Cc2csc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000603933567 460361324 /nfs/dbraw/zinc/36/13/24/460361324.db2.gz QIOPKSUJLMUBCF-CQSZACIVSA-N 1 2 347.440 3.376 10 5 EGBELO CCN1C[C@@H](C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000603933567 460361328 /nfs/dbraw/zinc/36/13/28/460361328.db2.gz QIOPKSUJLMUBCF-CQSZACIVSA-N 1 2 347.440 3.376 10 5 EGBELO Cc1cn2cc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000727711647 574686854 /nfs/dbraw/zinc/68/68/54/574686854.db2.gz BANQVHYRAWTAGG-UHFFFAOYSA-N 1 2 332.266 3.081 10 5 EGBELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492537 575669841 /nfs/dbraw/zinc/66/98/41/575669841.db2.gz IRSLTCADCFYEFX-OAHLLOKOSA-N 1 2 339.823 3.081 10 5 EGBELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492537 575669844 /nfs/dbraw/zinc/66/98/44/575669844.db2.gz IRSLTCADCFYEFX-OAHLLOKOSA-N 1 2 339.823 3.081 10 5 EGBELO C[C@@H]1CCCCC[N@@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000738226343 576302361 /nfs/dbraw/zinc/30/23/61/576302361.db2.gz XBTIAXQPRMIVAE-CQSZACIVSA-N 1 2 342.399 3.041 10 5 EGBELO C[C@@H]1CCCCC[N@H+]1Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000738226343 576302364 /nfs/dbraw/zinc/30/23/64/576302364.db2.gz XBTIAXQPRMIVAE-CQSZACIVSA-N 1 2 342.399 3.041 10 5 EGBELO CNC(=O)C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872069688 1296716766 /nfs/dbraw/zinc/71/67/66/1296716766.db2.gz SEYAMWZTWJULAJ-WFASDCNBSA-N 1 2 345.374 3.262 10 5 EGBELO CNC(=O)C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872069686 1296716878 /nfs/dbraw/zinc/71/68/78/1296716878.db2.gz SEYAMWZTWJULAJ-IUODEOHRSA-N 1 2 345.374 3.262 10 5 EGBELO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000872085018 1296725517 /nfs/dbraw/zinc/72/55/17/1296725517.db2.gz MLSVJPPTUBFQQX-GBIKHYSHSA-N 1 2 333.417 3.265 10 5 EGBELO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860099108 1329146235 /nfs/dbraw/zinc/14/62/35/1329146235.db2.gz YEPQCDBCUPEOJN-NSHDSACASA-N 1 2 341.383 3.079 10 5 EGBELO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860099108 1329146240 /nfs/dbraw/zinc/14/62/40/1329146240.db2.gz YEPQCDBCUPEOJN-NSHDSACASA-N 1 2 341.383 3.079 10 5 EGBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2[nH+]ccn21 ZINC001126096845 1372933302 /nfs/dbraw/zinc/93/33/02/1372933302.db2.gz GXPLYVULPBXNEU-UHFFFAOYSA-N 1 2 344.758 3.467 10 5 EGBELO Cc1c[nH+]cc(C)c1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001288771494 1381932311 /nfs/dbraw/zinc/93/23/11/1381932311.db2.gz PZYPCFDPEGSZCQ-UHFFFAOYSA-N 1 2 348.362 3.343 10 5 EGBELO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001317729651 1385428109 /nfs/dbraw/zinc/42/81/09/1385428109.db2.gz WJTVQKLEQWQLFU-HDICACEKSA-N 1 2 345.443 3.350 10 5 EGBELO CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001317729651 1385428112 /nfs/dbraw/zinc/42/81/12/1385428112.db2.gz WJTVQKLEQWQLFU-HDICACEKSA-N 1 2 345.443 3.350 10 5 EGBELO Cn1cc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC001342193762 1390583807 /nfs/dbraw/zinc/58/38/07/1390583807.db2.gz AATCEKUUBCSTRB-MRXNPFEDSA-N 1 2 328.397 3.269 10 5 EGBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000344739818 144217829 /nfs/dbraw/zinc/21/78/29/144217829.db2.gz JZQTXVBUBZBOME-ZDUSSCGKSA-N 1 2 338.367 3.337 10 5 EGBELO CC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1c(C)nn(C)c1C ZINC000351730554 144297956 /nfs/dbraw/zinc/29/79/56/144297956.db2.gz PUFVEZWPTAUKBE-HNNXBMFYSA-N 1 2 338.358 3.464 10 5 EGBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290322 152054663 /nfs/dbraw/zinc/05/46/63/152054663.db2.gz GTILQAOJABEDKB-SWLSCSKDSA-N 1 2 329.356 3.352 10 5 EGBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290322 152054668 /nfs/dbraw/zinc/05/46/68/152054668.db2.gz GTILQAOJABEDKB-SWLSCSKDSA-N 1 2 329.356 3.352 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275827 152056078 /nfs/dbraw/zinc/05/60/78/152056078.db2.gz QTNAGMLFIWWNPF-AWEZNQCLSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275827 152056080 /nfs/dbraw/zinc/05/60/80/152056080.db2.gz QTNAGMLFIWWNPF-AWEZNQCLSA-N 1 2 339.823 3.129 10 5 EGBELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000130925115 162384282 /nfs/dbraw/zinc/38/42/82/162384282.db2.gz BPRCFHINNGQYNS-STQMWFEESA-N 1 2 329.404 3.243 10 5 EGBELO CCC(=O)c1ccc(NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])c1 ZINC000359445976 167158389 /nfs/dbraw/zinc/15/83/89/167158389.db2.gz HMDYNCSZZFXTGV-UHFFFAOYSA-N 1 2 328.372 3.261 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278616676 275259406 /nfs/dbraw/zinc/25/94/06/275259406.db2.gz FSRBCCDWXIIHMJ-QWRGUYRKSA-N 1 2 345.321 3.196 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278616676 275259407 /nfs/dbraw/zinc/25/94/07/275259407.db2.gz FSRBCCDWXIIHMJ-QWRGUYRKSA-N 1 2 345.321 3.196 10 5 EGBELO CCOC(=O)[C@@H]1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413278515 309024750 /nfs/dbraw/zinc/02/47/50/309024750.db2.gz ZGDOQMGRIGSWAU-OLZOCXBDSA-N 1 2 329.356 3.287 10 5 EGBELO CC[C@H]1C[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000420623371 309290614 /nfs/dbraw/zinc/29/06/14/309290614.db2.gz VBIUHHKMKWRKPV-HOCLYGCPSA-N 1 2 342.399 3.152 10 5 EGBELO COC(=O)c1cc(NCc2cc(C)[nH+]c(C)c2)cc(C)c1[N+](=O)[O-] ZINC000420651596 309291806 /nfs/dbraw/zinc/29/18/06/309291806.db2.gz KIELJQQNROEWLM-UHFFFAOYSA-N 1 2 329.356 3.314 10 5 EGBELO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000444674424 309925126 /nfs/dbraw/zinc/92/51/26/309925126.db2.gz KMFZTJWNYAKIBT-MRXNPFEDSA-N 1 2 344.346 3.088 10 5 EGBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000449457801 310063627 /nfs/dbraw/zinc/06/36/27/310063627.db2.gz VKDYHUPYGBQKMN-INIZCTEOSA-N 1 2 336.775 3.119 10 5 EGBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000449457801 310063628 /nfs/dbraw/zinc/06/36/28/310063628.db2.gz VKDYHUPYGBQKMN-INIZCTEOSA-N 1 2 336.775 3.119 10 5 EGBELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451867881 310200989 /nfs/dbraw/zinc/20/09/89/310200989.db2.gz CZNICGUFTKZLGD-NSHDSACASA-N 1 2 349.328 3.050 10 5 EGBELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451867881 310200990 /nfs/dbraw/zinc/20/09/90/310200990.db2.gz CZNICGUFTKZLGD-NSHDSACASA-N 1 2 349.328 3.050 10 5 EGBELO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066851608 453880444 /nfs/dbraw/zinc/88/04/44/453880444.db2.gz YCZFCTMFGIHRBH-KXBFYZLASA-N 1 2 342.395 3.436 10 5 EGBELO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066851608 453880445 /nfs/dbraw/zinc/88/04/45/453880445.db2.gz YCZFCTMFGIHRBH-KXBFYZLASA-N 1 2 342.395 3.436 10 5 EGBELO CCN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599117 454264105 /nfs/dbraw/zinc/26/41/05/454264105.db2.gz XCTNTISTQLSFNV-UHFFFAOYSA-N 1 2 341.411 3.075 10 5 EGBELO CCN(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599117 454264109 /nfs/dbraw/zinc/26/41/09/454264109.db2.gz XCTNTISTQLSFNV-UHFFFAOYSA-N 1 2 341.411 3.075 10 5 EGBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000047265983 454349780 /nfs/dbraw/zinc/34/97/80/454349780.db2.gz FBGPAFWYSUOWHD-UHFFFAOYSA-N 1 2 345.424 3.181 10 5 EGBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000047265983 454349787 /nfs/dbraw/zinc/34/97/87/454349787.db2.gz FBGPAFWYSUOWHD-UHFFFAOYSA-N 1 2 345.424 3.181 10 5 EGBELO C[C@@H](OC(=O)c1ccnc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000124745355 454766656 /nfs/dbraw/zinc/76/66/56/454766656.db2.gz FCINIIACXKVQDK-GFCCVEGCSA-N 1 2 338.323 3.094 10 5 EGBELO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153204045 454770346 /nfs/dbraw/zinc/77/03/46/454770346.db2.gz ZHMIBWIXHMSWNJ-AWEZNQCLSA-N 1 2 339.395 3.004 10 5 EGBELO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153204045 454770347 /nfs/dbraw/zinc/77/03/47/454770347.db2.gz ZHMIBWIXHMSWNJ-AWEZNQCLSA-N 1 2 339.395 3.004 10 5 EGBELO COc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000179621433 455061930 /nfs/dbraw/zinc/06/19/30/455061930.db2.gz URHPOMPLCDCZOO-NSHDSACASA-N 1 2 348.321 3.386 10 5 EGBELO COc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000179621433 455061931 /nfs/dbraw/zinc/06/19/31/455061931.db2.gz URHPOMPLCDCZOO-NSHDSACASA-N 1 2 348.321 3.386 10 5 EGBELO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000156733063 455147372 /nfs/dbraw/zinc/14/73/72/455147372.db2.gz BHPDUJSAEZZOTB-GFCCVEGCSA-N 1 2 326.418 3.210 10 5 EGBELO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000156733063 455147375 /nfs/dbraw/zinc/14/73/75/455147375.db2.gz BHPDUJSAEZZOTB-GFCCVEGCSA-N 1 2 326.418 3.210 10 5 EGBELO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173935913 455342759 /nfs/dbraw/zinc/34/27/59/455342759.db2.gz ZONQNJXSTTYHIP-NSHDSACASA-N 1 2 342.380 3.333 10 5 EGBELO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000182569061 455543828 /nfs/dbraw/zinc/54/38/28/455543828.db2.gz CLCPTHVHCSFUHU-NSHDSACASA-N 1 2 328.328 3.397 10 5 EGBELO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000338419597 456806494 /nfs/dbraw/zinc/80/64/94/456806494.db2.gz ALFHEAXEPWETRQ-MRXNPFEDSA-N 1 2 325.372 3.124 10 5 EGBELO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347202762 457286088 /nfs/dbraw/zinc/28/60/88/457286088.db2.gz CVHWPILFDOQJNT-UHFFFAOYSA-N 1 2 345.403 3.290 10 5 EGBELO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347202319 457286830 /nfs/dbraw/zinc/28/68/30/457286830.db2.gz ZDLZEAMNLFJYJL-GFCCVEGCSA-N 1 2 345.403 3.299 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000352553295 457461454 /nfs/dbraw/zinc/46/14/54/457461454.db2.gz BFWHKKJIYLSFLC-HNNXBMFYSA-N 1 2 334.397 3.238 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000352553295 457461458 /nfs/dbraw/zinc/46/14/58/457461458.db2.gz BFWHKKJIYLSFLC-HNNXBMFYSA-N 1 2 334.397 3.238 10 5 EGBELO CC1(C)C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366577489 457858939 /nfs/dbraw/zinc/85/89/39/457858939.db2.gz UDADCHLXHHKVFR-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366577489 457858943 /nfs/dbraw/zinc/85/89/43/457858943.db2.gz UDADCHLXHHKVFR-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(=[NH+][C@H]3CCOC4(CCCCC4)C3)[nH]c2c1 ZINC000447691587 458330175 /nfs/dbraw/zinc/33/01/75/458330175.db2.gz TUXZOPDDOVONNQ-LBPRGKRZSA-N 1 2 330.388 3.187 10 5 EGBELO CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1O ZINC000459702286 458451697 /nfs/dbraw/zinc/45/16/97/458451697.db2.gz OLZXEQPDCXQITA-YPMHNXCESA-N 1 2 340.426 3.081 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000546970981 458691543 /nfs/dbraw/zinc/69/15/43/458691543.db2.gz PYSMGHPNVDVOCP-UHFFFAOYSA-N 1 2 345.365 3.362 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000546970981 458691549 /nfs/dbraw/zinc/69/15/49/458691549.db2.gz PYSMGHPNVDVOCP-UHFFFAOYSA-N 1 2 345.365 3.362 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2ccco2)CC1 ZINC000595615992 459370593 /nfs/dbraw/zinc/37/05/93/459370593.db2.gz OZYQFMWUNIONBS-UHFFFAOYSA-N 1 2 343.383 3.314 10 5 EGBELO COc1cc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000595815363 459449891 /nfs/dbraw/zinc/44/98/91/459449891.db2.gz OPTJIVFEHBARST-GFCCVEGCSA-N 1 2 338.379 3.276 10 5 EGBELO COc1cc(C[N@H+]2CC3(CCCC3)OC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000595815363 459449897 /nfs/dbraw/zinc/44/98/97/459449897.db2.gz OPTJIVFEHBARST-GFCCVEGCSA-N 1 2 338.379 3.276 10 5 EGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC12CCOCC2 ZINC000591846090 459453254 /nfs/dbraw/zinc/45/32/54/459453254.db2.gz AWQULHBKDBLNJB-UHFFFAOYSA-N 1 2 341.205 3.112 10 5 EGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC12CCOCC2 ZINC000591846090 459453258 /nfs/dbraw/zinc/45/32/58/459453258.db2.gz AWQULHBKDBLNJB-UHFFFAOYSA-N 1 2 341.205 3.112 10 5 EGBELO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595826328 459454836 /nfs/dbraw/zinc/45/48/36/459454836.db2.gz MZUHHUZSXBDNSN-INIZCTEOSA-N 1 2 327.384 3.011 10 5 EGBELO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595826328 459454839 /nfs/dbraw/zinc/45/48/39/459454839.db2.gz MZUHHUZSXBDNSN-INIZCTEOSA-N 1 2 327.384 3.011 10 5 EGBELO CC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922387 459611458 /nfs/dbraw/zinc/61/14/58/459611458.db2.gz CIKFPRBIZILWRZ-STQMWFEESA-N 1 2 327.375 3.317 10 5 EGBELO CC[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922387 459611462 /nfs/dbraw/zinc/61/14/62/459611462.db2.gz CIKFPRBIZILWRZ-STQMWFEESA-N 1 2 327.375 3.317 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@@H](CC(F)(F)F)C3)c2c1 ZINC000596558970 459677179 /nfs/dbraw/zinc/67/71/79/459677179.db2.gz VUOIVVBHUHPRPD-LBPRGKRZSA-N 1 2 341.289 3.301 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593058192 459759308 /nfs/dbraw/zinc/75/93/08/459759308.db2.gz HSLFUSLAMKLHAD-UHFFFAOYSA-N 1 2 334.269 3.167 10 5 EGBELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593117055 459778162 /nfs/dbraw/zinc/77/81/62/459778162.db2.gz MOZGPRVIUZZFQI-ZDUSSCGKSA-N 1 2 338.404 3.156 10 5 EGBELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593117055 459778163 /nfs/dbraw/zinc/77/81/63/459778163.db2.gz MOZGPRVIUZZFQI-ZDUSSCGKSA-N 1 2 338.404 3.156 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000597241367 459892601 /nfs/dbraw/zinc/89/26/01/459892601.db2.gz DQAGIIZZUFWQQL-FZMZJTMJSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000597241367 459892607 /nfs/dbraw/zinc/89/26/07/459892607.db2.gz DQAGIIZZUFWQQL-FZMZJTMJSA-N 1 2 332.322 3.445 10 5 EGBELO Cn1cc[nH+]c1[C@@H](N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000588232433 459935250 /nfs/dbraw/zinc/93/52/50/459935250.db2.gz HGIXHJCHXRLJQA-KGLIPLIRSA-N 1 2 336.342 3.195 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccc(C)o2)C2CC2)c1 ZINC000589495179 460095762 /nfs/dbraw/zinc/09/57/62/460095762.db2.gz YVROUBQQVSRMLK-UHFFFAOYSA-N 1 2 344.367 3.447 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccc(C)o2)C2CC2)c1 ZINC000589495179 460095770 /nfs/dbraw/zinc/09/57/70/460095770.db2.gz YVROUBQQVSRMLK-UHFFFAOYSA-N 1 2 344.367 3.447 10 5 EGBELO CCC(C)(C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597951632 460124736 /nfs/dbraw/zinc/12/47/36/460124736.db2.gz KSGFDRCAJQNNFJ-LBPRGKRZSA-N 1 2 330.388 3.335 10 5 EGBELO CCC1(CC)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[S@]1=O ZINC000599067468 460149398 /nfs/dbraw/zinc/14/93/98/460149398.db2.gz DXFOZJFIXWSHBJ-XMMPIXPASA-N 1 2 347.440 3.271 10 5 EGBELO CC[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000598249298 460221401 /nfs/dbraw/zinc/22/14/01/460221401.db2.gz HWOWDHQCVUKVML-KRWDZBQOSA-N 1 2 328.372 3.089 10 5 EGBELO CCC(CC)C(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603555087 460320503 /nfs/dbraw/zinc/32/05/03/460320503.db2.gz ZHFZDIOMHPDNPD-CQSZACIVSA-N 1 2 333.432 3.236 10 5 EGBELO CCOC(=O)c1nc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000611403975 460355771 /nfs/dbraw/zinc/35/57/71/460355771.db2.gz MJZKZRGSOUFGSH-CQSZACIVSA-N 1 2 349.412 3.469 10 5 EGBELO COC(=O)/C=C\c1ccc(NCCc2ccc(C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000732050616 575234134 /nfs/dbraw/zinc/23/41/34/575234134.db2.gz XCDOZIIEYPTEQS-VURMDHGXSA-N 1 2 341.367 3.139 10 5 EGBELO Cc1ccc(F)c(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1F ZINC000931468706 1329126035 /nfs/dbraw/zinc/12/60/35/1329126035.db2.gz BZYMKHKJVCVQCS-QGZVFWFLSA-N 1 2 336.338 3.179 10 5 EGBELO C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197135114 1368752323 /nfs/dbraw/zinc/75/23/23/1368752323.db2.gz GSSKYMVENXFEBN-ZBEGNZNMSA-N 1 2 349.337 3.361 10 5 EGBELO O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001133202884 1375837240 /nfs/dbraw/zinc/83/72/40/1375837240.db2.gz OMVJEZQJYMOBTL-AEGPPILISA-N 1 2 340.383 3.089 10 5 EGBELO CNc1cc(CNc2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC001164190790 1383164701 /nfs/dbraw/zinc/16/47/01/1383164701.db2.gz MTZNLRFBDBTZKD-UHFFFAOYSA-N 1 2 337.177 3.406 10 5 EGBELO O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001354109578 1392120779 /nfs/dbraw/zinc/12/07/79/1392120779.db2.gz CXKVAQNVDWQTBN-UHFFFAOYSA-N 1 2 326.287 3.172 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)co2)cc1 ZINC000089886153 285104939 /nfs/dbraw/zinc/10/49/39/285104939.db2.gz HDNFQEWTCWLYPY-IRXDYDNUSA-N 1 2 343.383 3.393 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)co2)cc1 ZINC000089886153 285104940 /nfs/dbraw/zinc/10/49/40/285104940.db2.gz HDNFQEWTCWLYPY-IRXDYDNUSA-N 1 2 343.383 3.393 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000193613205 285112899 /nfs/dbraw/zinc/11/28/99/285112899.db2.gz LXJFGVRQMKNJRZ-JTQLQIEISA-N 1 2 333.266 3.277 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000193613205 285112902 /nfs/dbraw/zinc/11/29/02/285112902.db2.gz LXJFGVRQMKNJRZ-JTQLQIEISA-N 1 2 333.266 3.277 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246894651 141042304 /nfs/dbraw/zinc/04/23/04/141042304.db2.gz GTILQAOJABEDKB-DOMZBBRYSA-N 1 2 329.356 3.352 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246894651 141042305 /nfs/dbraw/zinc/04/23/05/141042305.db2.gz GTILQAOJABEDKB-DOMZBBRYSA-N 1 2 329.356 3.352 10 5 EGBELO COC(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)nc1C1CC1 ZINC000349135737 156363213 /nfs/dbraw/zinc/36/32/13/156363213.db2.gz YQRJDCNQKJLXBG-UHFFFAOYSA-N 1 2 347.396 3.005 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093457613 162011082 /nfs/dbraw/zinc/01/10/82/162011082.db2.gz HIXGZJOCZCAHRY-ZLHKHBAESA-N 1 2 340.379 3.387 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093457613 162011085 /nfs/dbraw/zinc/01/10/85/162011085.db2.gz HIXGZJOCZCAHRY-ZLHKHBAESA-N 1 2 340.379 3.387 10 5 EGBELO COc1cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000337245546 163178033 /nfs/dbraw/zinc/17/80/33/163178033.db2.gz HGUSLLNNVRTACA-HNNXBMFYSA-N 1 2 330.388 3.064 10 5 EGBELO COc1cc(C[N@H+]2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000337245546 163178035 /nfs/dbraw/zinc/17/80/35/163178035.db2.gz HGUSLLNNVRTACA-HNNXBMFYSA-N 1 2 330.388 3.064 10 5 EGBELO CCc1cccc(F)c1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355176649 166124183 /nfs/dbraw/zinc/12/41/83/166124183.db2.gz NKNZGNCXQXFRNK-UHFFFAOYSA-N 1 2 328.347 3.462 10 5 EGBELO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000366288605 168103300 /nfs/dbraw/zinc/10/33/00/168103300.db2.gz VTMAGMYAFZVQJZ-HOCLYGCPSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000366288605 168103301 /nfs/dbraw/zinc/10/33/01/168103301.db2.gz VTMAGMYAFZVQJZ-HOCLYGCPSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000356278136 276102488 /nfs/dbraw/zinc/10/24/88/276102488.db2.gz JRWZARZHLGBROV-UHFFFAOYSA-N 1 2 342.399 3.479 10 5 EGBELO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(C)nc32)cc1[N+](=O)[O-] ZINC000090224826 279964925 /nfs/dbraw/zinc/96/49/25/279964925.db2.gz HQVWYSFARPUDPD-SMDDNHRTSA-N 1 2 345.403 3.079 10 5 EGBELO Cc1cc(NCCCc2cc[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302778360 308745256 /nfs/dbraw/zinc/74/52/56/308745256.db2.gz PWMHWBHNOPZTBR-UHFFFAOYSA-N 1 2 338.371 3.128 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[C@H]3CCCC[C@H]3O)c2c1 ZINC000413211444 309021732 /nfs/dbraw/zinc/02/17/32/309021732.db2.gz XCFCLVYHCANHGL-RHSMWYFYSA-N 1 2 329.400 3.308 10 5 EGBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000450066411 310101687 /nfs/dbraw/zinc/10/16/87/310101687.db2.gz LSPHMNZTVIWMQS-HUUCEWRRSA-N 1 2 340.383 3.043 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450352806 310117434 /nfs/dbraw/zinc/11/74/34/310117434.db2.gz ZVWDPDJDJJHQMK-UHFFFAOYSA-N 1 2 325.372 3.030 10 5 EGBELO COc1ccc(CNc2[nH]c3cccc(Cl)c3[nH+]2)cc1[N+](=O)[O-] ZINC000508471621 312095284 /nfs/dbraw/zinc/09/52/84/312095284.db2.gz DMGGKAZZCIPFAP-UHFFFAOYSA-N 1 2 332.747 3.167 10 5 EGBELO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nccc(C(F)(F)F)n1 ZINC000514797835 312246034 /nfs/dbraw/zinc/24/60/34/312246034.db2.gz FFFJKKWTVKOOSW-NSHDSACASA-N 1 2 338.289 3.181 10 5 EGBELO Cc1nc2[nH]ccc2c(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]1 ZINC000565736786 316363835 /nfs/dbraw/zinc/36/38/35/316363835.db2.gz JCAWJFURCLRANO-UHFFFAOYSA-N 1 2 336.355 3.262 10 5 EGBELO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000570959234 317132799 /nfs/dbraw/zinc/13/27/99/317132799.db2.gz YETYESWMKUPUIN-NWDGAFQWSA-N 1 2 340.387 3.343 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000157894409 455245712 /nfs/dbraw/zinc/24/57/12/455245712.db2.gz LSUQPCFNXKYQGS-FVQBIDKESA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000157894409 455245714 /nfs/dbraw/zinc/24/57/14/455245714.db2.gz LSUQPCFNXKYQGS-FVQBIDKESA-N 1 2 340.807 3.017 10 5 EGBELO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183228327 455254905 /nfs/dbraw/zinc/25/49/05/455254905.db2.gz OEAZHSXYXYWGHX-UHFFFAOYSA-N 1 2 327.384 3.282 10 5 EGBELO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183228327 455254908 /nfs/dbraw/zinc/25/49/08/455254908.db2.gz OEAZHSXYXYWGHX-UHFFFAOYSA-N 1 2 327.384 3.282 10 5 EGBELO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(F)cc1 ZINC000040086035 453946479 /nfs/dbraw/zinc/94/64/79/453946479.db2.gz SGYOZJSLIZFBPL-UHFFFAOYSA-N 1 2 342.330 3.416 10 5 EGBELO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccc(F)cc1 ZINC000040086035 453946483 /nfs/dbraw/zinc/94/64/83/453946483.db2.gz SGYOZJSLIZFBPL-UHFFFAOYSA-N 1 2 342.330 3.416 10 5 EGBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000045310744 454151974 /nfs/dbraw/zinc/15/19/74/454151974.db2.gz ZKEBBEKZSVKKKJ-UHFFFAOYSA-N 1 2 345.746 3.218 10 5 EGBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(C[NH+]2CCCC2)c1 ZINC000089531356 454160396 /nfs/dbraw/zinc/16/03/96/454160396.db2.gz NLEMJPAPCDRPEM-UHFFFAOYSA-N 1 2 341.367 3.149 10 5 EGBELO COC(=O)c1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000153123323 454763048 /nfs/dbraw/zinc/76/30/48/454763048.db2.gz LUWVLOAHDZGKKT-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO COC(=O)c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000153123323 454763050 /nfs/dbraw/zinc/76/30/50/454763050.db2.gz LUWVLOAHDZGKKT-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153151731 454765474 /nfs/dbraw/zinc/76/54/74/454765474.db2.gz ZQLBHBSLWCSEIB-CPUCHLNUSA-N 1 2 345.443 3.036 10 5 EGBELO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153151731 454765477 /nfs/dbraw/zinc/76/54/77/454765477.db2.gz ZQLBHBSLWCSEIB-CPUCHLNUSA-N 1 2 345.443 3.036 10 5 EGBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177906 455132468 /nfs/dbraw/zinc/13/24/68/455132468.db2.gz YGEMOWZLSXONCC-CYBMUJFWSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177906 455132470 /nfs/dbraw/zinc/13/24/70/455132470.db2.gz YGEMOWZLSXONCC-CYBMUJFWSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177910 455132679 /nfs/dbraw/zinc/13/26/79/455132679.db2.gz YGEMOWZLSXONCC-ZDUSSCGKSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172177910 455132683 /nfs/dbraw/zinc/13/26/83/455132683.db2.gz YGEMOWZLSXONCC-ZDUSSCGKSA-N 1 2 339.823 3.129 10 5 EGBELO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000280748808 456044883 /nfs/dbraw/zinc/04/48/83/456044883.db2.gz KGZJIVVRWIZVQB-UHFFFAOYSA-N 1 2 343.383 3.395 10 5 EGBELO O=[N+]([O-])c1cc(F)cnc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000601100860 460709900 /nfs/dbraw/zinc/70/99/00/460709900.db2.gz DESNNHKMXKIZQM-UHFFFAOYSA-N 1 2 341.346 3.389 10 5 EGBELO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601145118 460731101 /nfs/dbraw/zinc/73/11/01/460731101.db2.gz ZXQRQKUZZAJJEW-LLVKDONJSA-N 1 2 336.392 3.074 10 5 EGBELO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1C ZINC000348487406 456712559 /nfs/dbraw/zinc/71/25/59/456712559.db2.gz BLHLMUSGJILDCI-LLVKDONJSA-N 1 2 349.412 3.387 10 5 EGBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000353937589 456972683 /nfs/dbraw/zinc/97/26/83/456972683.db2.gz LTKDPGCHHGEMGY-UHFFFAOYSA-N 1 2 343.387 3.292 10 5 EGBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000353937589 456972685 /nfs/dbraw/zinc/97/26/85/456972685.db2.gz LTKDPGCHHGEMGY-UHFFFAOYSA-N 1 2 343.387 3.292 10 5 EGBELO Cn1c2ccc([N+](=O)[O-])cc2nc1-c1cc(-n2cc[nH+]c2)cs1 ZINC000342133071 457127432 /nfs/dbraw/zinc/12/74/32/457127432.db2.gz JMQNJKOBPSFVKR-UHFFFAOYSA-N 1 2 325.353 3.396 10 5 EGBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377761408 458514653 /nfs/dbraw/zinc/51/46/53/458514653.db2.gz LLBUEJBAMSNBQR-FIXISWKDSA-N 1 2 337.807 3.450 10 5 EGBELO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377761408 458514656 /nfs/dbraw/zinc/51/46/56/458514656.db2.gz LLBUEJBAMSNBQR-FIXISWKDSA-N 1 2 337.807 3.450 10 5 EGBELO COc1cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000424192485 458581871 /nfs/dbraw/zinc/58/18/71/458581871.db2.gz IZDJNUVPFYWQGI-ZWKOTPCHSA-N 1 2 346.358 3.339 10 5 EGBELO CCOc1cccc(NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000378024109 458602203 /nfs/dbraw/zinc/60/22/03/458602203.db2.gz IQTHYVPUGUSJER-UHFFFAOYSA-N 1 2 339.355 3.186 10 5 EGBELO COc1cc(CNc2c[nH+]cc3c2CCCC3)cc([N+](=O)[O-])c1O ZINC000594742751 459148862 /nfs/dbraw/zinc/14/88/62/459148862.db2.gz PCSLYMALUOBGKQ-UHFFFAOYSA-N 1 2 329.356 3.195 10 5 EGBELO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000595532453 459335208 /nfs/dbraw/zinc/33/52/08/459335208.db2.gz WEZSOZOTNXGWCD-FUHWJXTLSA-N 1 2 348.349 3.034 10 5 EGBELO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000595532453 459335223 /nfs/dbraw/zinc/33/52/23/459335223.db2.gz WEZSOZOTNXGWCD-FUHWJXTLSA-N 1 2 348.349 3.034 10 5 EGBELO Cc1noc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)c1[N+](=O)[O-] ZINC000595560764 459346847 /nfs/dbraw/zinc/34/68/47/459346847.db2.gz ZPGGKFKONFANJB-QGZVFWFLSA-N 1 2 343.383 3.051 10 5 EGBELO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888206 459474814 /nfs/dbraw/zinc/47/48/14/459474814.db2.gz CVMUDOROPANFRK-RISCZKNCSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888206 459474818 /nfs/dbraw/zinc/47/48/18/459474818.db2.gz CVMUDOROPANFRK-RISCZKNCSA-N 1 2 348.321 3.015 10 5 EGBELO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc3n(n2)CCCC3)C2CC2)c1 ZINC000593020919 459742398 /nfs/dbraw/zinc/74/23/98/459742398.db2.gz SSURZICRMXFZOY-UHFFFAOYSA-N 1 2 326.400 3.292 10 5 EGBELO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc3n(n2)CCCC3)C2CC2)c1 ZINC000593020919 459742402 /nfs/dbraw/zinc/74/24/02/459742402.db2.gz SSURZICRMXFZOY-UHFFFAOYSA-N 1 2 326.400 3.292 10 5 EGBELO COCc1cc[nH+]c(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000593222541 459812059 /nfs/dbraw/zinc/81/20/59/459812059.db2.gz JMCKFZQUEXDBHI-UHFFFAOYSA-N 1 2 339.298 3.350 10 5 EGBELO Cn1cc[nH+]c1[C@@H](N[C@@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000588232727 459934613 /nfs/dbraw/zinc/93/46/13/459934613.db2.gz ZMYVIDLPGGCFDB-KGLIPLIRSA-N 1 2 336.342 3.195 10 5 EGBELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000597630098 460012665 /nfs/dbraw/zinc/01/26/65/460012665.db2.gz BZVXDMYHERNELG-CHWSQXEVSA-N 1 2 342.399 3.368 10 5 EGBELO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000588977668 460014483 /nfs/dbraw/zinc/01/44/83/460014483.db2.gz GCXYAIVFMCPIDI-LBPRGKRZSA-N 1 2 337.807 3.309 10 5 EGBELO O=C(C[N@H+]1CCC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000588977668 460014491 /nfs/dbraw/zinc/01/44/91/460014491.db2.gz GCXYAIVFMCPIDI-LBPRGKRZSA-N 1 2 337.807 3.309 10 5 EGBELO CCC1(CC)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[S@@]1=O ZINC000599067478 460148465 /nfs/dbraw/zinc/14/84/65/460148465.db2.gz DXFOZJFIXWSHBJ-DEOSSOPVSA-N 1 2 347.440 3.271 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@](CO)(c2ccccc2)C1 ZINC000599079361 460154104 /nfs/dbraw/zinc/15/41/04/460154104.db2.gz FEAGVVCYXCRPFG-HXUWFJFHSA-N 1 2 349.390 3.283 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000604562337 460449199 /nfs/dbraw/zinc/44/91/99/460449199.db2.gz LJRFQEHYBUFCOV-GOSISDBHSA-N 1 2 339.395 3.032 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000604562337 460449207 /nfs/dbraw/zinc/44/92/07/460449207.db2.gz LJRFQEHYBUFCOV-GOSISDBHSA-N 1 2 339.395 3.032 10 5 EGBELO CC(C)(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000339554841 535012442 /nfs/dbraw/zinc/01/24/42/535012442.db2.gz ZLIYULDHAOBLFO-UHFFFAOYSA-N 1 2 342.399 3.002 10 5 EGBELO C[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001194640443 1368301850 /nfs/dbraw/zinc/30/18/50/1368301850.db2.gz ATSBTIWHGXAMDA-UHFFFAOYSA-N 1 2 336.189 3.384 10 5 EGBELO C[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001194640443 1368301854 /nfs/dbraw/zinc/30/18/54/1368301854.db2.gz ATSBTIWHGXAMDA-UHFFFAOYSA-N 1 2 336.189 3.384 10 5 EGBELO Cc1c[nH+]c2cc(C(=O)N3CCCc4c([N+](=O)[O-])cccc43)ccn12 ZINC001127748285 1373173004 /nfs/dbraw/zinc/17/30/04/1373173004.db2.gz LWPCTFPHJXTULV-UHFFFAOYSA-N 1 2 336.351 3.144 10 5 EGBELO C[C@H](CC1CCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001287415307 1381199768 /nfs/dbraw/zinc/19/97/68/1381199768.db2.gz YONQQILBIITFSY-GFCCVEGCSA-N 1 2 328.372 3.089 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC001165527397 1383307461 /nfs/dbraw/zinc/30/74/61/1383307461.db2.gz BUYMPYVYUWVIIC-UHFFFAOYSA-N 1 2 342.395 3.314 10 5 EGBELO O=C(Nc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001353788678 1392089367 /nfs/dbraw/zinc/08/93/67/1392089367.db2.gz HOTWLFGFMMNCQV-UHFFFAOYSA-N 1 2 343.730 3.081 10 5 EGBELO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000069775281 203049262 /nfs/dbraw/zinc/04/92/62/203049262.db2.gz ZSPDMZOQYQFEKF-UHFFFAOYSA-N 1 2 348.362 3.292 10 5 EGBELO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nccs1 ZINC000119878488 152234333 /nfs/dbraw/zinc/23/43/33/152234333.db2.gz XUNKXXPGDAUUGR-ZDUSSCGKSA-N 1 2 335.385 3.159 10 5 EGBELO CCc1nnc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)[nH]1 ZINC000191691139 153217464 /nfs/dbraw/zinc/21/74/64/153217464.db2.gz HQDLAMCTMPWNCP-UHFFFAOYSA-N 1 2 349.822 3.308 10 5 EGBELO CCc1n[nH]c(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n1 ZINC000191691139 153217468 /nfs/dbraw/zinc/21/74/68/153217468.db2.gz HQDLAMCTMPWNCP-UHFFFAOYSA-N 1 2 349.822 3.308 10 5 EGBELO CCc1nc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n[nH]1 ZINC000191691139 153217472 /nfs/dbraw/zinc/21/74/72/153217472.db2.gz HQDLAMCTMPWNCP-UHFFFAOYSA-N 1 2 349.822 3.308 10 5 EGBELO Cc1[nH+]c2ccccc2n1CCCCCn1cc([N+](=O)[O-])ccc1=O ZINC000359174499 167087967 /nfs/dbraw/zinc/08/79/67/167087967.db2.gz JJMKKBOXZZRJAY-UHFFFAOYSA-N 1 2 340.383 3.285 10 5 EGBELO CC(=O)c1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000287718308 276150519 /nfs/dbraw/zinc/15/05/19/276150519.db2.gz FENCVKZXSGSHQG-SJCJKPOMSA-N 1 2 328.372 3.081 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1F ZINC000288577365 276230071 /nfs/dbraw/zinc/23/00/71/276230071.db2.gz BWRUDRWABGASPB-UHFFFAOYSA-N 1 2 330.315 3.107 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1F ZINC000288577365 276230073 /nfs/dbraw/zinc/23/00/73/276230073.db2.gz BWRUDRWABGASPB-UHFFFAOYSA-N 1 2 330.315 3.107 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266471860 277939676 /nfs/dbraw/zinc/93/96/76/277939676.db2.gz OBXHPRLNBWQHIV-NSHDSACASA-N 1 2 331.328 3.362 10 5 EGBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC2 ZINC000374657398 281544447 /nfs/dbraw/zinc/54/44/47/281544447.db2.gz DHQVOUQIUJUVLF-UHFFFAOYSA-N 1 2 342.399 3.053 10 5 EGBELO CCOC(=O)c1csc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000292817130 308068884 /nfs/dbraw/zinc/06/88/84/308068884.db2.gz CQWIBPOPIHQERY-CYBMUJFWSA-N 1 2 349.412 3.469 10 5 EGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@]34CCOC4)cs2)c1 ZINC000421399972 309323100 /nfs/dbraw/zinc/32/31/00/309323100.db2.gz JBHOOGSAKGXSAF-INIZCTEOSA-N 1 2 331.397 3.083 10 5 EGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@]34CCOC4)cs2)c1 ZINC000421399972 309323101 /nfs/dbraw/zinc/32/31/01/309323101.db2.gz JBHOOGSAKGXSAF-INIZCTEOSA-N 1 2 331.397 3.083 10 5 EGBELO Cc1cc(N2C[C@H](C)O[C@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000445662311 309945133 /nfs/dbraw/zinc/94/51/33/309945133.db2.gz AAELHGODEKSDFK-BFHYXJOUSA-N 1 2 342.399 3.362 10 5 EGBELO O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000487932364 311043585 /nfs/dbraw/zinc/04/35/85/311043585.db2.gz RQRSEOPOFCTEOR-UHFFFAOYSA-N 1 2 349.394 3.172 10 5 EGBELO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184184050 323646259 /nfs/dbraw/zinc/64/62/59/323646259.db2.gz ZBLHPYWKNXROJK-QWRGUYRKSA-N 1 2 334.401 3.038 10 5 EGBELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000242324383 455270510 /nfs/dbraw/zinc/27/05/10/455270510.db2.gz ZAVXCAOAXQEOFK-IUODEOHRSA-N 1 2 349.774 3.016 10 5 EGBELO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000242324383 455270512 /nfs/dbraw/zinc/27/05/12/455270512.db2.gz ZAVXCAOAXQEOFK-IUODEOHRSA-N 1 2 349.774 3.016 10 5 EGBELO CCc1nnc(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000190674865 455364565 /nfs/dbraw/zinc/36/45/65/455364565.db2.gz CRMUVUNUVXIYOF-UHFFFAOYSA-N 1 2 349.822 3.308 10 5 EGBELO CCc1n[nH]c(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000190674865 455364569 /nfs/dbraw/zinc/36/45/69/455364569.db2.gz CRMUVUNUVXIYOF-UHFFFAOYSA-N 1 2 349.822 3.308 10 5 EGBELO CCc1nc(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190674865 455364572 /nfs/dbraw/zinc/36/45/72/455364572.db2.gz CRMUVUNUVXIYOF-UHFFFAOYSA-N 1 2 349.822 3.308 10 5 EGBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000085635909 454035988 /nfs/dbraw/zinc/03/59/88/454035988.db2.gz UUQQYOHBDYKXDD-UHFFFAOYSA-N 1 2 345.403 3.386 10 5 EGBELO Cc1cc(NCCc2ccccn2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000095352982 454195904 /nfs/dbraw/zinc/19/59/04/454195904.db2.gz IURNEWXTXGSRKO-UHFFFAOYSA-N 1 2 335.367 3.410 10 5 EGBELO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1F ZINC000153303480 454780300 /nfs/dbraw/zinc/78/03/00/454780300.db2.gz MLKJAVUCXCATLQ-UHFFFAOYSA-N 1 2 343.358 3.337 10 5 EGBELO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1F ZINC000153303480 454780303 /nfs/dbraw/zinc/78/03/03/454780303.db2.gz MLKJAVUCXCATLQ-UHFFFAOYSA-N 1 2 343.358 3.337 10 5 EGBELO CC(C)[NH+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277673959 455630644 /nfs/dbraw/zinc/63/06/44/455630644.db2.gz DWZOPKIWFMLLLJ-UHFFFAOYSA-N 1 2 349.434 3.260 10 5 EGBELO Cc1cc(NC[C@@H](O)C2CCCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301300020 456084370 /nfs/dbraw/zinc/08/43/70/456084370.db2.gz UMGOAIPISIQQRZ-MRXNPFEDSA-N 1 2 342.399 3.323 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000352780082 456299808 /nfs/dbraw/zinc/29/98/08/456299808.db2.gz ROTIQSKPQQQMBO-KRWDZBQOSA-N 1 2 342.395 3.047 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000352780082 456299814 /nfs/dbraw/zinc/29/98/14/456299814.db2.gz ROTIQSKPQQQMBO-KRWDZBQOSA-N 1 2 342.395 3.047 10 5 EGBELO COc1cc2c(cc1F)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000352782441 456301499 /nfs/dbraw/zinc/30/14/99/456301499.db2.gz DVFNMKKAZKSPFF-UHFFFAOYSA-N 1 2 346.358 3.309 10 5 EGBELO COc1cc2c(cc1F)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000352782441 456301504 /nfs/dbraw/zinc/30/15/04/456301504.db2.gz DVFNMKKAZKSPFF-UHFFFAOYSA-N 1 2 346.358 3.309 10 5 EGBELO Cc1ccc(C[N@@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000298268942 456410906 /nfs/dbraw/zinc/41/09/06/456410906.db2.gz GFEUICWEMPPAJW-UHFFFAOYSA-N 1 2 328.328 3.178 10 5 EGBELO Cc1ccc(C[N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000298268942 456410912 /nfs/dbraw/zinc/41/09/12/456410912.db2.gz GFEUICWEMPPAJW-UHFFFAOYSA-N 1 2 328.328 3.178 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339772261 457260525 /nfs/dbraw/zinc/26/05/25/457260525.db2.gz RAEVTYZBRVBBPG-QGZVFWFLSA-N 1 2 334.416 3.385 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339772261 457260528 /nfs/dbraw/zinc/26/05/28/457260528.db2.gz RAEVTYZBRVBBPG-QGZVFWFLSA-N 1 2 334.416 3.385 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361061032 457554307 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168270440 /nfs/dbraw/zinc/27/04/40/168270440.db2.gz CTYUMEBBPAQZHD-UHFFFAOYSA-N 1 2 329.747 3.441 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])c1 ZINC000194832218 275035561 /nfs/dbraw/zinc/03/55/61/275035561.db2.gz RFDZFWKJQUHMOB-AWEZNQCLSA-N 1 2 347.302 3.256 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c(F)c1 ZINC000289151487 276297337 /nfs/dbraw/zinc/29/73/37/276297337.db2.gz ZNQZVSFOFDHOPC-UHFFFAOYSA-N 1 2 330.315 3.107 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c(F)c1 ZINC000289151487 276297338 /nfs/dbraw/zinc/29/73/38/276297338.db2.gz ZNQZVSFOFDHOPC-UHFFFAOYSA-N 1 2 330.315 3.107 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000301352054 308697473 /nfs/dbraw/zinc/69/74/73/308697473.db2.gz NDGUONFKFAJKSM-UHFFFAOYSA-N 1 2 346.362 3.350 10 5 EGBELO COC(=O)c1cc(NCCc2ccc(C)c[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000413353238 309028334 /nfs/dbraw/zinc/02/83/34/309028334.db2.gz OTFLEWCSAJDZTH-UHFFFAOYSA-N 1 2 329.356 3.048 10 5 EGBELO C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414908885 309108694 /nfs/dbraw/zinc/10/86/94/309108694.db2.gz BMQLRDPNSFNOAP-WFASDCNBSA-N 1 2 331.441 3.411 10 5 EGBELO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448219 309480689 /nfs/dbraw/zinc/48/06/89/309480689.db2.gz RAUXJWAUZIJFHL-NXEZZACHSA-N 1 2 343.221 3.091 10 5 EGBELO CCc1cnc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000441352443 309869080 /nfs/dbraw/zinc/86/90/80/309869080.db2.gz XTAQVZAFHMFMIC-ZDUSSCGKSA-N 1 2 346.456 3.497 10 5 EGBELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449671008 310079451 /nfs/dbraw/zinc/07/94/51/310079451.db2.gz YPVUOHJAZOBOAY-NSHDSACASA-N 1 2 349.328 3.050 10 5 EGBELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449671008 310079452 /nfs/dbraw/zinc/07/94/52/310079452.db2.gz YPVUOHJAZOBOAY-NSHDSACASA-N 1 2 349.328 3.050 10 5 EGBELO O=[N+]([O-])c1cnc2ccccc2c1NCc1ccccc1-n1cc[nH+]c1 ZINC000488122485 311052314 /nfs/dbraw/zinc/05/23/14/311052314.db2.gz GRSVMFZOSBLRQL-UHFFFAOYSA-N 1 2 345.362 3.363 10 5 EGBELO CCc1cc(NCCOC(C)(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000521833897 312560939 /nfs/dbraw/zinc/56/09/39/312560939.db2.gz WGVHCXNBLJYILL-UHFFFAOYSA-N 1 2 344.415 3.263 10 5 EGBELO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536001703 314086923 /nfs/dbraw/zinc/08/69/23/314086923.db2.gz FNZLKCRVUIAJMC-ZNMIVQPWSA-N 1 2 345.443 3.131 10 5 EGBELO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536001703 314086927 /nfs/dbraw/zinc/08/69/27/314086927.db2.gz FNZLKCRVUIAJMC-ZNMIVQPWSA-N 1 2 345.443 3.131 10 5 EGBELO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCS1 ZINC000425390773 457532001 /nfs/dbraw/zinc/53/20/01/457532001.db2.gz BVWGAPKJTNEWMD-SECBINFHSA-N 1 2 331.235 3.295 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CCS1 ZINC000425390773 457532006 /nfs/dbraw/zinc/53/20/06/457532006.db2.gz BVWGAPKJTNEWMD-SECBINFHSA-N 1 2 331.235 3.295 10 5 EGBELO C[NH+](C)[C@H](CNc1ncccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000006881846 453002152 /nfs/dbraw/zinc/00/21/52/453002152.db2.gz NXHKZFOTLVIQGC-CYBMUJFWSA-N 1 2 338.770 3.497 10 5 EGBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCC2(CC2)CC1 ZINC000600768276 460595914 /nfs/dbraw/zinc/59/59/14/460595914.db2.gz GTMFWOGVXZJLLP-UHFFFAOYSA-N 1 2 340.383 3.187 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016685077 453619088 /nfs/dbraw/zinc/61/90/88/453619088.db2.gz BBROOHSSXDHYAB-LBPRGKRZSA-N 1 2 338.367 3.024 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000016685077 453619091 /nfs/dbraw/zinc/61/90/91/453619091.db2.gz BBROOHSSXDHYAB-LBPRGKRZSA-N 1 2 338.367 3.024 10 5 EGBELO C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000026347324 453797731 /nfs/dbraw/zinc/79/77/31/453797731.db2.gz KBEFEGASKXAMDX-CYBMUJFWSA-N 1 2 345.374 3.043 10 5 EGBELO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000026347324 453797732 /nfs/dbraw/zinc/79/77/32/453797732.db2.gz KBEFEGASKXAMDX-CYBMUJFWSA-N 1 2 345.374 3.043 10 5 EGBELO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000076008710 453948923 /nfs/dbraw/zinc/94/89/23/453948923.db2.gz VZPGJLGHUDLMPP-GFCCVEGCSA-N 1 2 341.433 3.145 10 5 EGBELO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000076008710 453948925 /nfs/dbraw/zinc/94/89/25/453948925.db2.gz VZPGJLGHUDLMPP-GFCCVEGCSA-N 1 2 341.433 3.145 10 5 EGBELO Cc1cc(NCC[C@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058307336 454183222 /nfs/dbraw/zinc/18/32/22/454183222.db2.gz GEFHATWEYJPVMM-OAHLLOKOSA-N 1 2 328.372 3.341 10 5 EGBELO O=[N+]([O-])c1ccc2cnn(Cc3[nH+]ccn3Cc3ccccc3)c2c1 ZINC000072919823 454363318 /nfs/dbraw/zinc/36/33/18/454363318.db2.gz XHXSZMXGKADJKL-UHFFFAOYSA-N 1 2 333.351 3.238 10 5 EGBELO CCOc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000092623956 454596848 /nfs/dbraw/zinc/59/68/48/454596848.db2.gz XAQDXTYWRWFWFN-UHFFFAOYSA-N 1 2 339.355 3.186 10 5 EGBELO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnn(-c3ccccc3)c1)C2 ZINC000153290945 454778712 /nfs/dbraw/zinc/77/87/12/454778712.db2.gz WIWBTISQDCEBGW-UHFFFAOYSA-N 1 2 334.379 3.339 10 5 EGBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnn(-c3ccccc3)c1)C2 ZINC000153290945 454778715 /nfs/dbraw/zinc/77/87/15/454778715.db2.gz WIWBTISQDCEBGW-UHFFFAOYSA-N 1 2 334.379 3.339 10 5 EGBELO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153403144 454790024 /nfs/dbraw/zinc/79/00/24/454790024.db2.gz YJSDRESHKHJITR-HOCLYGCPSA-N 1 2 345.443 3.133 10 5 EGBELO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153403144 454790030 /nfs/dbraw/zinc/79/00/30/454790030.db2.gz YJSDRESHKHJITR-HOCLYGCPSA-N 1 2 345.443 3.133 10 5 EGBELO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CCCCC1 ZINC000155703866 455033459 /nfs/dbraw/zinc/03/34/59/455033459.db2.gz YVLPCUAXXHWQHP-UHFFFAOYSA-N 1 2 331.416 3.008 10 5 EGBELO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CCCCC1 ZINC000155703866 455033465 /nfs/dbraw/zinc/03/34/65/455033465.db2.gz YVLPCUAXXHWQHP-UHFFFAOYSA-N 1 2 331.416 3.008 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000179493807 455052903 /nfs/dbraw/zinc/05/29/03/455052903.db2.gz MZWBOFMEUKATRT-FVQBIDKESA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000179493807 455052907 /nfs/dbraw/zinc/05/29/07/455052907.db2.gz MZWBOFMEUKATRT-FVQBIDKESA-N 1 2 340.807 3.017 10 5 EGBELO COc1cc(C[NH2+][C@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1F ZINC000184407334 455378061 /nfs/dbraw/zinc/37/80/61/455378061.db2.gz DPFXKNGFKHXGOI-SECBINFHSA-N 1 2 325.365 3.358 10 5 EGBELO CC[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181761861 455380420 /nfs/dbraw/zinc/38/04/20/455380420.db2.gz ALSLGGLOVRXBKD-HNNXBMFYSA-N 1 2 329.404 3.232 10 5 EGBELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182091341 455434015 /nfs/dbraw/zinc/43/40/15/455434015.db2.gz YVENHFDDIYMFOJ-OAHLLOKOSA-N 1 2 339.823 3.081 10 5 EGBELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182091341 455434019 /nfs/dbraw/zinc/43/40/19/455434019.db2.gz YVENHFDDIYMFOJ-OAHLLOKOSA-N 1 2 339.823 3.081 10 5 EGBELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 ZINC000182593769 455549603 /nfs/dbraw/zinc/54/96/03/455549603.db2.gz OELUFJLNVADRRG-LLVKDONJSA-N 1 2 328.328 3.397 10 5 EGBELO COc1cccc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000185382084 455551192 /nfs/dbraw/zinc/55/11/92/455551192.db2.gz DXEAKZZQNQEKSA-UHFFFAOYSA-N 1 2 330.388 3.023 10 5 EGBELO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000277678863 455632818 /nfs/dbraw/zinc/63/28/18/455632818.db2.gz GFZUUZOASDZOHZ-ZYHUDNBSSA-N 1 2 341.433 3.001 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000277678863 455632821 /nfs/dbraw/zinc/63/28/21/455632821.db2.gz GFZUUZOASDZOHZ-ZYHUDNBSSA-N 1 2 341.433 3.001 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000255370985 455866304 /nfs/dbraw/zinc/86/63/04/455866304.db2.gz HIXGZJOCZCAHRY-BQHGXPCASA-N 1 2 340.379 3.387 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000255370985 455866307 /nfs/dbraw/zinc/86/63/07/455866307.db2.gz HIXGZJOCZCAHRY-BQHGXPCASA-N 1 2 340.379 3.387 10 5 EGBELO Cc1cc(N[C@H](CO)CC(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301264129 456075548 /nfs/dbraw/zinc/07/55/48/456075548.db2.gz VRTWTDPSZUJZJW-AWEZNQCLSA-N 1 2 330.388 3.179 10 5 EGBELO Cc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000301292724 456083459 /nfs/dbraw/zinc/08/34/59/456083459.db2.gz VRIMOOBYBKBTPR-UHFFFAOYSA-N 1 2 346.818 3.274 10 5 EGBELO O=[N+]([O-])c1ccc(F)cc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000302827691 456412614 /nfs/dbraw/zinc/41/26/14/456412614.db2.gz BMNHYSQECQRYFF-KRWDZBQOSA-N 1 2 345.374 3.219 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348230289 456552550 /nfs/dbraw/zinc/55/25/50/456552550.db2.gz NJDNSVDWRMXCCM-OPQQBVKSSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348230289 456552555 /nfs/dbraw/zinc/55/25/55/456552555.db2.gz NJDNSVDWRMXCCM-OPQQBVKSSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282591013 456562829 /nfs/dbraw/zinc/56/28/29/456562829.db2.gz WYFAYBWETDLOCQ-NXEZZACHSA-N 1 2 343.221 3.091 10 5 EGBELO CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)c[nH+]1 ZINC000338002405 456648508 /nfs/dbraw/zinc/64/85/08/456648508.db2.gz OFZZWDMCWIKEHO-UHFFFAOYSA-N 1 2 342.399 3.074 10 5 EGBELO COc1ccc(-c2ccc(C[N@H+](C)Cc3cc[nH]n3)o2)c([N+](=O)[O-])c1 ZINC000353522445 456733165 /nfs/dbraw/zinc/73/31/65/456733165.db2.gz VBNYROSNICEWCR-UHFFFAOYSA-N 1 2 342.355 3.219 10 5 EGBELO COc1ccc(-c2ccc(C[N@@H+](C)Cc3cc[nH]n3)o2)c([N+](=O)[O-])c1 ZINC000353522445 456733172 /nfs/dbraw/zinc/73/31/72/456733172.db2.gz VBNYROSNICEWCR-UHFFFAOYSA-N 1 2 342.355 3.219 10 5 EGBELO Cc1cc(NCc2cscn2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301086684 456792413 /nfs/dbraw/zinc/79/24/13/456792413.db2.gz GRHWBKPVZZYYNS-UHFFFAOYSA-N 1 2 327.369 3.429 10 5 EGBELO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2[nH+]1 ZINC000339126196 456951668 /nfs/dbraw/zinc/95/16/68/456951668.db2.gz SSARRIALLBARQH-UHFFFAOYSA-N 1 2 330.731 3.457 10 5 EGBELO CCNc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC000339391297 457087317 /nfs/dbraw/zinc/08/73/17/457087317.db2.gz CYRRFLHAQKWRSS-UHFFFAOYSA-N 1 2 339.355 3.235 10 5 EGBELO Cc1[nH+]c2ccc(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])cc2n1C ZINC000356666100 457109129 /nfs/dbraw/zinc/10/91/29/457109129.db2.gz RROXVLHEQLSMHO-LLVKDONJSA-N 1 2 338.367 3.281 10 5 EGBELO Cc1[nH+]c2ccc(C(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])cc2n1C ZINC000356666108 457109551 /nfs/dbraw/zinc/10/95/51/457109551.db2.gz RROXVLHEQLSMHO-NSHDSACASA-N 1 2 338.367 3.281 10 5 EGBELO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cn[nH]c1 ZINC000339791281 457271215 /nfs/dbraw/zinc/27/12/15/457271215.db2.gz FOGUFCONKMFMHJ-SNVBAGLBSA-N 1 2 329.385 3.292 10 5 EGBELO CCc1cnc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000426625219 457864232 /nfs/dbraw/zinc/86/42/32/457864232.db2.gz YPPZKBJCNMCLAX-CYBMUJFWSA-N 1 2 346.456 3.497 10 5 EGBELO COC(=O)c1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)o1 ZINC000531764829 458975146 /nfs/dbraw/zinc/97/51/46/458975146.db2.gz YSFCBDKOTQAELC-UHFFFAOYSA-N 1 2 344.367 3.447 10 5 EGBELO COC(=O)c1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)o1 ZINC000531764829 458975152 /nfs/dbraw/zinc/97/51/52/458975152.db2.gz YSFCBDKOTQAELC-UHFFFAOYSA-N 1 2 344.367 3.447 10 5 EGBELO Cc1noc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595328772 459278227 /nfs/dbraw/zinc/27/82/27/459278227.db2.gz ZFQMMBSZHQUTRK-CZUORRHYSA-N 1 2 345.399 3.470 10 5 EGBELO Cc1noc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000595328772 459278228 /nfs/dbraw/zinc/27/82/28/459278228.db2.gz ZFQMMBSZHQUTRK-CZUORRHYSA-N 1 2 345.399 3.470 10 5 EGBELO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595889975 459476624 /nfs/dbraw/zinc/47/66/24/459476624.db2.gz JZJYXDSUAGYFQI-RYUDHWBXSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595889975 459476630 /nfs/dbraw/zinc/47/66/30/459476630.db2.gz JZJYXDSUAGYFQI-RYUDHWBXSA-N 1 2 348.321 3.015 10 5 EGBELO COc1cc(NCc2ccc(N(C)C)[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000596074361 459510254 /nfs/dbraw/zinc/51/02/54/459510254.db2.gz UHOWIYMNBJUMKJ-UHFFFAOYSA-N 1 2 336.779 3.330 10 5 EGBELO COC(=O)c1c(Cl)c(NCCc2ccc(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000596260983 459578181 /nfs/dbraw/zinc/57/81/81/459578181.db2.gz NHGLANWFNVLYQK-UHFFFAOYSA-N 1 2 349.774 3.393 10 5 EGBELO C[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000563037609 459701593 /nfs/dbraw/zinc/70/15/93/459701593.db2.gz AVVKYFIMBCYLNZ-DYVFJYSZSA-N 1 2 341.415 3.153 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2ncc(C)s2)c1 ZINC000593024183 459743462 /nfs/dbraw/zinc/74/34/62/459743462.db2.gz IQEAIYOEDLMPEG-UHFFFAOYSA-N 1 2 349.412 3.171 10 5 EGBELO CC(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)(C1CC1)C1CC1 ZINC000598380363 459884421 /nfs/dbraw/zinc/88/44/21/459884421.db2.gz DWLCVVKQWQLVKB-UHFFFAOYSA-N 1 2 340.383 3.089 10 5 EGBELO Cn1cc(C[NH2+][C@@H]2CCCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588930166 460007890 /nfs/dbraw/zinc/00/78/90/460007890.db2.gz NFXUXMBFTZATLZ-CQSZACIVSA-N 1 2 336.342 3.273 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1c2ccccc2CN(C)C1=O ZINC000598939421 460096300 /nfs/dbraw/zinc/09/63/00/460096300.db2.gz HNLLJCUAUHKJTN-SCLBCKFNSA-N 1 2 339.395 3.267 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3ccccc3[C@@H]2C)c1 ZINC000589502310 460097710 /nfs/dbraw/zinc/09/77/10/460097710.db2.gz OBTOPFUFOBJMTC-LBPRGKRZSA-N 1 2 326.352 3.458 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3ccccc3[C@@H]2C)c1 ZINC000589502310 460097716 /nfs/dbraw/zinc/09/77/16/460097716.db2.gz OBTOPFUFOBJMTC-LBPRGKRZSA-N 1 2 326.352 3.458 10 5 EGBELO CCCC(=O)NC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599018941 460128567 /nfs/dbraw/zinc/12/85/67/460128567.db2.gz GWQLYNDRKJTCIF-UHFFFAOYSA-N 1 2 342.399 3.028 10 5 EGBELO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000610367115 460136002 /nfs/dbraw/zinc/13/60/02/460136002.db2.gz GDHNGDNZKVRJHQ-AWEZNQCLSA-N 1 2 333.432 3.236 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@H]1CCC[N@@H+]1CC(F)F ZINC000599133977 460170706 /nfs/dbraw/zinc/17/07/06/460170706.db2.gz OLLLUWDWJVILEB-GFCCVEGCSA-N 1 2 336.342 3.284 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@H]1CCC[N@H+]1CC(F)F ZINC000599133977 460170709 /nfs/dbraw/zinc/17/07/09/460170709.db2.gz OLLLUWDWJVILEB-GFCCVEGCSA-N 1 2 336.342 3.284 10 5 EGBELO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000599696555 460314479 /nfs/dbraw/zinc/31/44/79/460314479.db2.gz PAINCTYEVXMNAK-JGPRNRPPSA-N 1 2 342.342 3.035 10 5 EGBELO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000599696555 460314486 /nfs/dbraw/zinc/31/44/86/460314486.db2.gz PAINCTYEVXMNAK-JGPRNRPPSA-N 1 2 342.342 3.035 10 5 EGBELO Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)[nH+]c2c1 ZINC000732575516 575276696 /nfs/dbraw/zinc/27/66/96/575276696.db2.gz GMHSQDDPPYGJLU-UHFFFAOYSA-N 1 2 344.758 3.134 10 5 EGBELO O=C(NC1CCC=CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000895213565 1309242331 /nfs/dbraw/zinc/24/23/31/1309242331.db2.gz MQYXVOGTXLBPFM-UHFFFAOYSA-N 1 2 326.356 3.009 10 5 EGBELO Cn1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000930554070 1328894592 /nfs/dbraw/zinc/89/45/92/1328894592.db2.gz GZPWGGNLTMGUPV-UHFFFAOYSA-N 1 2 342.321 3.372 10 5 EGBELO CC(F)(F)CCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000922783196 1322616710 /nfs/dbraw/zinc/61/67/10/1322616710.db2.gz ZNALSTBDWGBRIX-UHFFFAOYSA-N 1 2 339.298 3.373 10 5 EGBELO CC(C)Oc1cc(C(=O)OCC(C)(C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001123050795 1372369907 /nfs/dbraw/zinc/36/99/07/1372369907.db2.gz PZJAYWSXIPXKGX-UHFFFAOYSA-N 1 2 347.371 3.171 10 5 EGBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001124771983 1372729113 /nfs/dbraw/zinc/72/91/13/1372729113.db2.gz DZZVHSLXBLYKQC-UHFFFAOYSA-N 1 2 340.314 3.101 10 5 EGBELO CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1C ZINC001128281770 1373245822 /nfs/dbraw/zinc/24/58/22/1373245822.db2.gz AFSVOPJVZFDQAH-OLZOCXBDSA-N 1 2 328.372 3.041 10 5 EGBELO CCn1c[nH+]cc1COC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001345608876 1390868474 /nfs/dbraw/zinc/86/84/74/1390868474.db2.gz AYXIQTAXBCWUOA-UHFFFAOYSA-N 1 2 337.763 3.141 10 5 EGBELO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001347488483 1391082758 /nfs/dbraw/zinc/08/27/58/1391082758.db2.gz QCPLQMZREWQYCT-UHFFFAOYSA-N 1 2 348.790 3.066 10 5 EGBELO CC[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181540847 529637025 /nfs/dbraw/zinc/63/70/25/529637025.db2.gz FLYCWNLCJXLJGI-ZDUSSCGKSA-N 1 2 328.328 3.479 10 5 EGBELO Cc1c(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000246845091 243324522 /nfs/dbraw/zinc/32/45/22/243324522.db2.gz VIAHIJRQWNPSBM-KDOFPFPSSA-N 1 2 348.349 3.489 10 5 EGBELO Cc1c(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000246845091 243324527 /nfs/dbraw/zinc/32/45/27/243324527.db2.gz VIAHIJRQWNPSBM-KDOFPFPSSA-N 1 2 348.349 3.489 10 5 EGBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080910134 217339814 /nfs/dbraw/zinc/33/98/14/217339814.db2.gz UJPKZLAEQWAWQA-NSHDSACASA-N 1 2 348.790 3.102 10 5 EGBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080910134 217339816 /nfs/dbraw/zinc/33/98/16/217339816.db2.gz UJPKZLAEQWAWQA-NSHDSACASA-N 1 2 348.790 3.102 10 5 EGBELO CCc1ccc([C@@H]([NH2+]Cc2ccnn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346483633 141204112 /nfs/dbraw/zinc/20/41/12/141204112.db2.gz IYGRJSXQDGVQAO-SFHVURJKSA-N 1 2 340.383 3.363 10 5 EGBELO Cn1cc([C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000184606661 144095829 /nfs/dbraw/zinc/09/58/29/144095829.db2.gz DVSHFSRMVWXEOR-MRXNPFEDSA-N 1 2 346.387 3.408 10 5 EGBELO Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])nc(-c2ccncc2)[nH+]1 ZINC000195302864 153392267 /nfs/dbraw/zinc/39/22/67/153392267.db2.gz GBNYQRJTJVRHMK-UHFFFAOYSA-N 1 2 335.367 3.392 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126606244 162309114 /nfs/dbraw/zinc/30/91/14/162309114.db2.gz SCYBGZRNCYVMOU-ACJLOTCBSA-N 1 2 328.368 3.435 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126606244 162309118 /nfs/dbraw/zinc/30/91/18/162309118.db2.gz SCYBGZRNCYVMOU-ACJLOTCBSA-N 1 2 328.368 3.435 10 5 EGBELO CCC(=O)c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000373828370 276204971 /nfs/dbraw/zinc/20/49/71/276204971.db2.gz HDQZVLRLZFRNCT-UHFFFAOYSA-N 1 2 328.372 3.295 10 5 EGBELO CCC(=O)c1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000373828370 276204975 /nfs/dbraw/zinc/20/49/75/276204975.db2.gz HDQZVLRLZFRNCT-UHFFFAOYSA-N 1 2 328.372 3.295 10 5 EGBELO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000184405009 276437484 /nfs/dbraw/zinc/43/74/84/276437484.db2.gz AZAKOZYKLHICQQ-LLVKDONJSA-N 1 2 325.365 3.440 10 5 EGBELO Cn1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)n1 ZINC000358493456 279365266 /nfs/dbraw/zinc/36/52/66/279365266.db2.gz CRRQLENHSGMCNU-SFHVURJKSA-N 1 2 340.358 3.347 10 5 EGBELO CN(C[C@@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450552360 310129657 /nfs/dbraw/zinc/12/96/57/310129657.db2.gz HOHBKKSAJUPAIE-CQSZACIVSA-N 1 2 340.383 3.209 10 5 EGBELO O=C(N[C@@H]1CCC12CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451188866 310164937 /nfs/dbraw/zinc/16/49/37/310164937.db2.gz FSANLVVHZLONAD-MRXNPFEDSA-N 1 2 340.383 3.233 10 5 EGBELO Cc1cn2cc(NC(=O)N(C)Cc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000567255404 316591378 /nfs/dbraw/zinc/59/13/78/316591378.db2.gz XMJYEGIWYBMHBE-UHFFFAOYSA-N 1 2 339.355 3.215 10 5 EGBELO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184166722 323644992 /nfs/dbraw/zinc/64/49/92/323644992.db2.gz CBUAYDGPLGNZAW-MNOVXSKESA-N 1 2 334.401 3.038 10 5 EGBELO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580627783 325275436 /nfs/dbraw/zinc/27/54/36/325275436.db2.gz WGUBICFWTAKIMT-QGZVFWFLSA-N 1 2 347.415 3.186 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000003541988 452779287 /nfs/dbraw/zinc/77/92/87/452779287.db2.gz YOSSFGXJMCMBGC-UHFFFAOYSA-N 1 2 331.347 3.113 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000003541988 452779291 /nfs/dbraw/zinc/77/92/91/452779291.db2.gz YOSSFGXJMCMBGC-UHFFFAOYSA-N 1 2 331.347 3.113 10 5 EGBELO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000184236522 455364787 /nfs/dbraw/zinc/36/47/87/455364787.db2.gz NJLOJDXPUBJGIW-WDEREUQCSA-N 1 2 334.401 3.038 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ncccc2F)CC1 ZINC000090632127 454331112 /nfs/dbraw/zinc/33/11/12/454331112.db2.gz HLMCBVOETSUGPX-CYBMUJFWSA-N 1 2 330.363 3.012 10 5 EGBELO Cc1c(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000047369989 454364561 /nfs/dbraw/zinc/36/45/61/454364561.db2.gz GVXAZMNFFSHWLH-LBPRGKRZSA-N 1 2 340.383 3.094 10 5 EGBELO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153093536 454759745 /nfs/dbraw/zinc/75/97/45/454759745.db2.gz CUMVBLNVVKQHBR-CQSZACIVSA-N 1 2 339.395 3.289 10 5 EGBELO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153093536 454759749 /nfs/dbraw/zinc/75/97/49/454759749.db2.gz CUMVBLNVVKQHBR-CQSZACIVSA-N 1 2 339.395 3.289 10 5 EGBELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000161086492 455532020 /nfs/dbraw/zinc/53/20/20/455532020.db2.gz YJDIJCOVCKBUAG-GWCFXTLKSA-N 1 2 334.401 3.119 10 5 EGBELO CCC[NH+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277945524 455717282 /nfs/dbraw/zinc/71/72/82/455717282.db2.gz RZJDPOIVELFWJY-UHFFFAOYSA-N 1 2 349.434 3.261 10 5 EGBELO C[C@](CO)([NH2+]Cc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000601148624 460730907 /nfs/dbraw/zinc/73/09/07/460730907.db2.gz FSJFLSHGUGFYHY-MRXNPFEDSA-N 1 2 340.301 3.009 10 5 EGBELO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000324434278 456667635 /nfs/dbraw/zinc/66/76/35/456667635.db2.gz CWWMCSMKRREGHZ-CHWSQXEVSA-N 1 2 329.404 3.325 10 5 EGBELO Cn1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c(C(F)(F)F)n1 ZINC000283191296 456733524 /nfs/dbraw/zinc/73/35/24/456733524.db2.gz QTWRCSZKJLLFBG-UHFFFAOYSA-N 1 2 346.284 3.118 10 5 EGBELO Cn1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c(C(F)(F)F)n1 ZINC000283191296 456733527 /nfs/dbraw/zinc/73/35/27/456733527.db2.gz QTWRCSZKJLLFBG-UHFFFAOYSA-N 1 2 346.284 3.118 10 5 EGBELO CCOc1cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339771678 457260243 /nfs/dbraw/zinc/26/02/43/457260243.db2.gz KUNWXJPRPFOTCA-MRXNPFEDSA-N 1 2 334.416 3.385 10 5 EGBELO CCOc1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339771678 457260247 /nfs/dbraw/zinc/26/02/47/457260247.db2.gz KUNWXJPRPFOTCA-MRXNPFEDSA-N 1 2 334.416 3.385 10 5 EGBELO Cc1cn2c([nH+]1)CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000590173529 459096837 /nfs/dbraw/zinc/09/68/37/459096837.db2.gz ZJCLMKHZJXYOMD-UHFFFAOYSA-N 1 2 340.305 3.134 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000590178813 459098369 /nfs/dbraw/zinc/09/83/69/459098369.db2.gz CMACBPMRMLQYBW-KBAYOESNSA-N 1 2 334.416 3.206 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000590178813 459098375 /nfs/dbraw/zinc/09/83/75/459098375.db2.gz CMACBPMRMLQYBW-KBAYOESNSA-N 1 2 334.416 3.206 10 5 EGBELO CSc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000595524520 459334609 /nfs/dbraw/zinc/33/46/09/459334609.db2.gz WNDLCXJODYCACC-UHFFFAOYSA-N 1 2 344.440 3.034 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4ccco4)CC3)nc2c1 ZINC000595613556 459368111 /nfs/dbraw/zinc/36/81/11/459368111.db2.gz AJAKXDGPITVHMI-UHFFFAOYSA-N 1 2 326.356 3.444 10 5 EGBELO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1)OCCO2 ZINC000591640252 459417099 /nfs/dbraw/zinc/41/70/99/459417099.db2.gz ZBKMXTXBBNSOGG-ZWKOTPCHSA-N 1 2 344.342 3.093 10 5 EGBELO COc1cccc([N+](=O)[O-])c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000584554975 459766624 /nfs/dbraw/zinc/76/66/24/459766624.db2.gz JEMKBADVZNIKOG-UHFFFAOYSA-N 1 2 328.372 3.211 10 5 EGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000597252149 459896403 /nfs/dbraw/zinc/89/64/03/459896403.db2.gz RMMNRPQUPJQECR-IYCSXQJISA-N 1 2 326.343 3.354 10 5 EGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000597252149 459896408 /nfs/dbraw/zinc/89/64/08/459896408.db2.gz RMMNRPQUPJQECR-IYCSXQJISA-N 1 2 326.343 3.354 10 5 EGBELO Cc1ncc2c(n1)CC[C@@H](Nc1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000599032577 460133607 /nfs/dbraw/zinc/13/36/07/460133607.db2.gz UKLBTWDXFQRLEJ-CQSZACIVSA-N 1 2 335.367 3.211 10 5 EGBELO COC(=O)C[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599104486 460162621 /nfs/dbraw/zinc/16/26/21/460162621.db2.gz BSMRBAMBXNWVLX-CYBMUJFWSA-N 1 2 329.356 3.144 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000599507681 460264278 /nfs/dbraw/zinc/26/42/78/460264278.db2.gz PIWDRTDGDUGAAE-UHFFFAOYSA-N 1 2 346.358 3.483 10 5 EGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501366 460379168 /nfs/dbraw/zinc/37/91/68/460379168.db2.gz BEDISWCRVMGCHE-GYSYKLTISA-N 1 2 334.351 3.386 10 5 EGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501366 460379175 /nfs/dbraw/zinc/37/91/75/460379175.db2.gz BEDISWCRVMGCHE-GYSYKLTISA-N 1 2 334.351 3.386 10 5 EGBELO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@@H](CCF)C3)o2)c1 ZINC000600206412 460439738 /nfs/dbraw/zinc/43/97/38/460439738.db2.gz XGCILFPAVNEPLQ-HNNXBMFYSA-N 1 2 334.347 3.415 10 5 EGBELO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@@H](CCF)C3)o2)c1 ZINC000600206412 460439743 /nfs/dbraw/zinc/43/97/43/460439743.db2.gz XGCILFPAVNEPLQ-HNNXBMFYSA-N 1 2 334.347 3.415 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153703625 527954051 /nfs/dbraw/zinc/95/40/51/527954051.db2.gz OLGDKNKTOBHLFW-ZDUSSCGKSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000153703625 527954060 /nfs/dbraw/zinc/95/40/60/527954060.db2.gz OLGDKNKTOBHLFW-ZDUSSCGKSA-N 1 2 339.823 3.129 10 5 EGBELO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981688 1328646662 /nfs/dbraw/zinc/64/66/62/1328646662.db2.gz INGFCDOJUAIBBI-ZDUSSCGKSA-N 1 2 346.412 3.168 10 5 EGBELO CC(C)(COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)n1cc[nH+]c1 ZINC001123051485 1372369644 /nfs/dbraw/zinc/36/96/44/1372369644.db2.gz WEUSHKGQXPJTGZ-UHFFFAOYSA-N 1 2 349.362 3.187 10 5 EGBELO Cc1[nH]c(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)[nH+]c1C ZINC001137260354 1377505656 /nfs/dbraw/zinc/50/56/56/1377505656.db2.gz DZJBQIGITOXWTF-UHFFFAOYSA-N 1 2 348.428 3.365 10 5 EGBELO Cc1nc(NCCNc2ccccc2[N+](=O)[O-])c2c([nH+]1)CCCC2 ZINC001306919484 1383920682 /nfs/dbraw/zinc/92/06/82/1383920682.db2.gz AXRRRAALHHMCIC-UHFFFAOYSA-N 1 2 327.388 3.096 10 5 EGBELO CN(Cc1ccc(N)[nH+]c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001307089092 1383939122 /nfs/dbraw/zinc/93/91/22/1383939122.db2.gz NWWVODDXQYMGDQ-UHFFFAOYSA-N 1 2 326.278 3.227 10 5 EGBELO COc1cc(NCc2[nH]c3c([nH+]2)CCCC3)c(Cl)cc1[N+](=O)[O-] ZINC001307218472 1383958726 /nfs/dbraw/zinc/95/87/26/1383958726.db2.gz JNMSEBJTUWYGCZ-UHFFFAOYSA-N 1 2 336.779 3.471 10 5 EGBELO Cc1c[nH+]c2cc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)ccn12 ZINC001353255999 1391976194 /nfs/dbraw/zinc/97/61/94/1391976194.db2.gz WRIATKZGTNRKBK-LBPRGKRZSA-N 1 2 325.324 3.469 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080910141 217339579 /nfs/dbraw/zinc/33/95/79/217339579.db2.gz UJPKZLAEQWAWQA-LLVKDONJSA-N 1 2 348.790 3.102 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080910141 217339581 /nfs/dbraw/zinc/33/95/81/217339581.db2.gz UJPKZLAEQWAWQA-LLVKDONJSA-N 1 2 348.790 3.102 10 5 EGBELO CC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767022 218246132 /nfs/dbraw/zinc/24/61/32/218246132.db2.gz LADYSSWKDYAPHX-ZKKXHLJNSA-N 1 2 339.386 3.269 10 5 EGBELO CC[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767022 218246135 /nfs/dbraw/zinc/24/61/35/218246135.db2.gz LADYSSWKDYAPHX-ZKKXHLJNSA-N 1 2 339.386 3.269 10 5 EGBELO Cn1c[nH+]cc1Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000357984301 141374569 /nfs/dbraw/zinc/37/45/69/141374569.db2.gz ZEMQKANCENKWRY-UHFFFAOYSA-N 1 2 341.352 3.184 10 5 EGBELO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195081560 153378236 /nfs/dbraw/zinc/37/82/36/153378236.db2.gz HQJUPAXSSIXSKO-CQSZACIVSA-N 1 2 345.424 3.120 10 5 EGBELO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195081560 153378240 /nfs/dbraw/zinc/37/82/40/153378240.db2.gz HQJUPAXSSIXSKO-CQSZACIVSA-N 1 2 345.424 3.120 10 5 EGBELO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1[N+](=O)[O-] ZINC000090224828 276376775 /nfs/dbraw/zinc/37/67/75/276376775.db2.gz HQVWYSFARPUDPD-FZMZJTMJSA-N 1 2 345.403 3.079 10 5 EGBELO CCn1cc[nH+]c1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000294925840 308272422 /nfs/dbraw/zinc/27/24/22/308272422.db2.gz GZGBYTMTHJRFBJ-UHFFFAOYSA-N 1 2 325.166 3.186 10 5 EGBELO Cc1cc(N[C@@H]2CCC[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000298162860 308589087 /nfs/dbraw/zinc/58/90/87/308589087.db2.gz DQZJHMGWSXZKGP-DZGCQCFKSA-N 1 2 342.399 3.323 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000301631641 308708276 /nfs/dbraw/zinc/70/82/76/308708276.db2.gz JEWPYNCQSSEKAA-IAQYHMDHSA-N 1 2 334.351 3.027 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000413206867 309021477 /nfs/dbraw/zinc/02/14/77/309021477.db2.gz QFJNFJUOTANBAO-CABCVRRESA-N 1 2 327.384 3.396 10 5 EGBELO C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414908884 309108629 /nfs/dbraw/zinc/10/86/29/309108629.db2.gz BMQLRDPNSFNOAP-SWLSCSKDSA-N 1 2 331.441 3.411 10 5 EGBELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-] ZINC000181818872 323505758 /nfs/dbraw/zinc/50/57/58/323505758.db2.gz RBPJCVPFKNRKCQ-LLVKDONJSA-N 1 2 328.328 3.397 10 5 EGBELO O=[N+]([O-])c1sc2ccc(Cl)cc2c1NCC[NH+]1CCOCC1 ZINC000033894235 453918285 /nfs/dbraw/zinc/91/82/85/453918285.db2.gz WANNKAWYMJHVQQ-UHFFFAOYSA-N 1 2 341.820 3.207 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC000095995285 454256329 /nfs/dbraw/zinc/25/63/29/454256329.db2.gz QOPHQPQGWRMRRN-AWEZNQCLSA-N 1 2 343.383 3.015 10 5 EGBELO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000090068397 454270857 /nfs/dbraw/zinc/27/08/57/454270857.db2.gz MFDRZKBLCQWPEE-HOTGVXAUSA-N 1 2 331.347 3.001 10 5 EGBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000097162534 454419079 /nfs/dbraw/zinc/41/90/79/454419079.db2.gz GIKBJKBKEPCSNR-ABAIWWIYSA-N 1 2 348.790 3.168 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000050508278 454588294 /nfs/dbraw/zinc/58/82/94/454588294.db2.gz MCAIJQYEGORCGR-AWEZNQCLSA-N 1 2 333.432 3.379 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000050508278 454588299 /nfs/dbraw/zinc/58/82/99/454588299.db2.gz MCAIJQYEGORCGR-AWEZNQCLSA-N 1 2 333.432 3.379 10 5 EGBELO COC(=O)c1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(F)c1 ZINC000137178653 454771013 /nfs/dbraw/zinc/77/10/13/454771013.db2.gz ZOUALZRGQPHBLI-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO COC(=O)c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(F)c1 ZINC000137178653 454771016 /nfs/dbraw/zinc/77/10/16/454771016.db2.gz ZOUALZRGQPHBLI-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000179493821 455053292 /nfs/dbraw/zinc/05/32/92/455053292.db2.gz MZWBOFMEUKATRT-BMFZPTHFSA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000179493821 455053294 /nfs/dbraw/zinc/05/32/94/455053294.db2.gz MZWBOFMEUKATRT-BMFZPTHFSA-N 1 2 340.807 3.017 10 5 EGBELO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2c(s1)CCCC2 ZINC000175544806 455461408 /nfs/dbraw/zinc/46/14/08/455461408.db2.gz OCQKAWPGBOSWSP-UHFFFAOYSA-N 1 2 347.440 3.441 10 5 EGBELO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nc2c(s1)CCCC2 ZINC000175544806 455461412 /nfs/dbraw/zinc/46/14/12/455461412.db2.gz OCQKAWPGBOSWSP-UHFFFAOYSA-N 1 2 347.440 3.441 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000246563532 455508392 /nfs/dbraw/zinc/50/83/92/455508392.db2.gz LSUQPCFNXKYQGS-KBMXLJTQSA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000246563532 455508395 /nfs/dbraw/zinc/50/83/95/455508395.db2.gz LSUQPCFNXKYQGS-KBMXLJTQSA-N 1 2 340.807 3.017 10 5 EGBELO COc1cc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000348575202 456774685 /nfs/dbraw/zinc/77/46/85/456774685.db2.gz LTYZSUYLKFQTLY-SNVBAGLBSA-N 1 2 334.376 3.135 10 5 EGBELO O=[N+]([O-])c1cccc(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000356607888 457082135 /nfs/dbraw/zinc/08/21/35/457082135.db2.gz ZBECBHIHFXXXAC-UHFFFAOYSA-N 1 2 347.334 3.421 10 5 EGBELO CCOc1cccc(NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000359705513 457121716 /nfs/dbraw/zinc/12/17/16/457121716.db2.gz HIYSQVSZVXBZGR-UHFFFAOYSA-N 1 2 344.293 3.364 10 5 EGBELO COC(=O)c1cc(OCc2ccc3[nH]c(C)[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000342652516 457430656 /nfs/dbraw/zinc/43/06/56/457430656.db2.gz AYKZISAJQFWWBG-UHFFFAOYSA-N 1 2 341.323 3.145 10 5 EGBELO COC(=O)c1cc(OCc2ccc3[nH+]c(C)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000342652516 457430663 /nfs/dbraw/zinc/43/06/63/457430663.db2.gz AYKZISAJQFWWBG-UHFFFAOYSA-N 1 2 341.323 3.145 10 5 EGBELO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1F ZINC000342688986 457458506 /nfs/dbraw/zinc/45/85/06/457458506.db2.gz HSLLPJRNAMQZGO-OAHLLOKOSA-N 1 2 327.319 3.064 10 5 EGBELO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000375158189 457814740 /nfs/dbraw/zinc/81/47/40/457814740.db2.gz IDPDPHQDWBYNJJ-OAHLLOKOSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000375158189 457814743 /nfs/dbraw/zinc/81/47/43/457814743.db2.gz IDPDPHQDWBYNJJ-OAHLLOKOSA-N 1 2 349.362 3.130 10 5 EGBELO CC[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000376022445 458167131 /nfs/dbraw/zinc/16/71/31/458167131.db2.gz SQLVUDOBPZYIGI-CZUORRHYSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000376022445 458167135 /nfs/dbraw/zinc/16/71/35/458167135.db2.gz SQLVUDOBPZYIGI-CZUORRHYSA-N 1 2 340.807 3.018 10 5 EGBELO CCC(CC)[C@H]1C[C@@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000447671394 458327925 /nfs/dbraw/zinc/32/79/25/458327925.db2.gz MMRWQRXCDQACJK-BLLLJJGKSA-N 1 2 332.404 3.289 10 5 EGBELO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377761409 458515018 /nfs/dbraw/zinc/51/50/18/458515018.db2.gz LLBUEJBAMSNBQR-UEKVPHQBSA-N 1 2 337.807 3.450 10 5 EGBELO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000377761409 458515023 /nfs/dbraw/zinc/51/50/23/458515023.db2.gz LLBUEJBAMSNBQR-UEKVPHQBSA-N 1 2 337.807 3.450 10 5 EGBELO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595826329 459455973 /nfs/dbraw/zinc/45/59/73/459455973.db2.gz MZUHHUZSXBDNSN-MRXNPFEDSA-N 1 2 327.384 3.011 10 5 EGBELO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595826329 459455975 /nfs/dbraw/zinc/45/59/75/459455975.db2.gz MZUHHUZSXBDNSN-MRXNPFEDSA-N 1 2 327.384 3.011 10 5 EGBELO CCc1cc[nH+]cc1N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593679136 459948028 /nfs/dbraw/zinc/94/80/28/459948028.db2.gz BJNQXZNGCGBIRC-GFCCVEGCSA-N 1 2 328.372 3.381 10 5 EGBELO Cn1cc(C[NH2+][C@H]2CCCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588930163 460007400 /nfs/dbraw/zinc/00/74/00/460007400.db2.gz NFXUXMBFTZATLZ-AWEZNQCLSA-N 1 2 336.342 3.273 10 5 EGBELO CN(C)C(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCC1 ZINC000599044700 460138461 /nfs/dbraw/zinc/13/84/61/460138461.db2.gz SLTROJJVROJTCZ-UHFFFAOYSA-N 1 2 342.399 3.204 10 5 EGBELO Cc1cccn2cc(CCNc3c4ccccc4ncc3[N+](=O)[O-])[nH+]c12 ZINC000589864355 460152368 /nfs/dbraw/zinc/15/23/68/460152368.db2.gz ULXGKAIUGJEKAH-UHFFFAOYSA-N 1 2 347.378 3.176 10 5 EGBELO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000599110935 460164327 /nfs/dbraw/zinc/16/43/27/460164327.db2.gz HJNYCDNSNAIDNU-QFYYESIMSA-N 1 2 337.326 3.392 10 5 EGBELO Cc1ccc(Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000871721064 1296500102 /nfs/dbraw/zinc/50/01/02/1296500102.db2.gz RPYSQRDAONZEMI-CYBMUJFWSA-N 1 2 340.383 3.094 10 5 EGBELO COCCOc1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872025836 1296671007 /nfs/dbraw/zinc/67/10/07/1296671007.db2.gz UNSQSGNXOGARHG-GFCCVEGCSA-N 1 2 349.362 3.005 10 5 EGBELO C[C@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccc([N+](=O)[O-])cc1 ZINC001197660683 1368867115 /nfs/dbraw/zinc/86/71/15/1368867115.db2.gz QKIZCZUVVSLZBS-NSHDSACASA-N 1 2 340.339 3.201 10 5 EGBELO CC(C)c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC001135362867 1377053876 /nfs/dbraw/zinc/05/38/76/1377053876.db2.gz NOCKBFVYLBUUSX-UHFFFAOYSA-N 1 2 341.327 3.144 10 5 EGBELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001171670851 1384597016 /nfs/dbraw/zinc/59/70/16/1384597016.db2.gz MNSHPBBQIBWUTN-HNNXBMFYSA-N 1 2 338.404 3.026 10 5 EGBELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001171670851 1384597022 /nfs/dbraw/zinc/59/70/22/1384597022.db2.gz MNSHPBBQIBWUTN-HNNXBMFYSA-N 1 2 338.404 3.026 10 5 EGBELO Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001352766323 1391844336 /nfs/dbraw/zinc/84/43/36/1391844336.db2.gz XVAXDUFLOJVSTQ-UHFFFAOYSA-N 1 2 336.351 3.019 10 5 EGBELO CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001732023661 1428241534 /nfs/dbraw/zinc/24/15/34/1428241534.db2.gz HWVAXSXBWMUYEF-BUKFFHEGSA-N 1 2 343.427 3.126 10 5 EGBELO CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001732023661 1428241538 /nfs/dbraw/zinc/24/15/38/1428241538.db2.gz HWVAXSXBWMUYEF-BUKFFHEGSA-N 1 2 343.427 3.126 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@H](O)c2c(F)cccc2F)c1 ZINC000049998704 214040479 /nfs/dbraw/zinc/04/04/79/214040479.db2.gz ZVISFOFMENJRGG-HNNXBMFYSA-N 1 2 345.305 3.470 10 5 EGBELO O=C(N[C@H]1CC2CCC1CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000351682795 284165191 /nfs/dbraw/zinc/16/51/91/284165191.db2.gz KYKPLZCILDAPTG-PIMMBPRGSA-N 1 2 340.383 3.089 10 5 EGBELO O=C(C[N@H+]1CC=C(c2cccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000117895506 152118929 /nfs/dbraw/zinc/11/89/29/152118929.db2.gz ZGIRNWJLMJTVCV-UHFFFAOYSA-N 1 2 343.408 3.384 10 5 EGBELO O=C(C[N@@H+]1CC=C(c2cccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000117895506 152118930 /nfs/dbraw/zinc/11/89/30/152118930.db2.gz ZGIRNWJLMJTVCV-UHFFFAOYSA-N 1 2 343.408 3.384 10 5 EGBELO Cc1cc(N(C)Cc2ccc(N)[nH+]c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338701131 163323432 /nfs/dbraw/zinc/32/34/32/163323432.db2.gz NMBUQYJPSKLJDX-UHFFFAOYSA-N 1 2 340.305 3.366 10 5 EGBELO Cc1cn2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)ccc2[nH+]1 ZINC000344199347 164125147 /nfs/dbraw/zinc/12/51/47/164125147.db2.gz QMERCJPAOOVBAC-UHFFFAOYSA-N 1 2 344.758 3.386 10 5 EGBELO COc1cc(C)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000359217766 167098551 /nfs/dbraw/zinc/09/85/51/167098551.db2.gz CUPZCMZAUAHDGW-UHFFFAOYSA-N 1 2 327.384 3.174 10 5 EGBELO COc1cc(C)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)n1 ZINC000359217766 167098554 /nfs/dbraw/zinc/09/85/54/167098554.db2.gz CUPZCMZAUAHDGW-UHFFFAOYSA-N 1 2 327.384 3.174 10 5 EGBELO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000366288603 168102779 /nfs/dbraw/zinc/10/27/79/168102779.db2.gz VTMAGMYAFZVQJZ-GOEBONIOSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000366288603 168102780 /nfs/dbraw/zinc/10/27/80/168102780.db2.gz VTMAGMYAFZVQJZ-GOEBONIOSA-N 1 2 340.807 3.018 10 5 EGBELO Cc1cnc(N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)c([N+](=O)[O-])c1 ZINC000275543763 267378973 /nfs/dbraw/zinc/37/89/73/267378973.db2.gz GWOHWXZIHWORMS-HNNXBMFYSA-N 1 2 341.415 3.252 10 5 EGBELO Cc1sc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC000046105516 275135661 /nfs/dbraw/zinc/13/56/61/275135661.db2.gz LVOJUFNNHRXJBS-UHFFFAOYSA-N 1 2 328.353 3.403 10 5 EGBELO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000070019777 278423724 /nfs/dbraw/zinc/42/37/24/278423724.db2.gz XMUCXIYIVJOVJD-AWEZNQCLSA-N 1 2 344.390 3.008 10 5 EGBELO Cc1cc(N[C@@H](CO)CC(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301264130 308693993 /nfs/dbraw/zinc/69/39/93/308693993.db2.gz VRTWTDPSZUJZJW-CQSZACIVSA-N 1 2 330.388 3.179 10 5 EGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@]34CCOC4)cs2)c1 ZINC000421399973 309323115 /nfs/dbraw/zinc/32/31/15/309323115.db2.gz JBHOOGSAKGXSAF-MRXNPFEDSA-N 1 2 331.397 3.083 10 5 EGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@]34CCOC4)cs2)c1 ZINC000421399973 309323116 /nfs/dbraw/zinc/32/31/16/309323116.db2.gz JBHOOGSAKGXSAF-MRXNPFEDSA-N 1 2 331.397 3.083 10 5 EGBELO CN(C)c1ccc(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c[nH+]1 ZINC000436270145 309751240 /nfs/dbraw/zinc/75/12/40/309751240.db2.gz MXSRPYGDJYWWIW-UHFFFAOYSA-N 1 2 327.266 3.213 10 5 EGBELO Cc1nc(C[NH2+]Cc2ccccc2[N+](=O)[O-])sc1Br ZINC000449403048 310059182 /nfs/dbraw/zinc/05/91/82/310059182.db2.gz UVHITFKDJCNFQN-UHFFFAOYSA-N 1 2 342.218 3.412 10 5 EGBELO CCc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000449608643 310075179 /nfs/dbraw/zinc/07/51/79/310075179.db2.gz JCDQBJPSLSAZFS-UHFFFAOYSA-N 1 2 327.287 3.036 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450495920 310126388 /nfs/dbraw/zinc/12/63/88/310126388.db2.gz CAYXTCUXJUTBPC-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248715 314034108 /nfs/dbraw/zinc/03/41/08/314034108.db2.gz YIKLESIYJJXZHH-HNNXBMFYSA-N 1 2 347.459 3.284 10 5 EGBELO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248715 314034110 /nfs/dbraw/zinc/03/41/10/314034110.db2.gz YIKLESIYJJXZHH-HNNXBMFYSA-N 1 2 347.459 3.284 10 5 EGBELO Cc1cc(NCCC2(F)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000577317965 324783468 /nfs/dbraw/zinc/78/34/68/324783468.db2.gz RAPQQEWUUMZDCE-UHFFFAOYSA-N 1 2 330.363 3.476 10 5 EGBELO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026347238 453797713 /nfs/dbraw/zinc/79/77/13/453797713.db2.gz GFAAIXMAZUACQG-CABCVRRESA-N 1 2 341.411 3.293 10 5 EGBELO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026347238 453797714 /nfs/dbraw/zinc/79/77/14/453797714.db2.gz GFAAIXMAZUACQG-CABCVRRESA-N 1 2 341.411 3.293 10 5 EGBELO Cc1cc(NCC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057826111 454149562 /nfs/dbraw/zinc/14/95/62/454149562.db2.gz VTRUSFCHHNYDQR-OAHLLOKOSA-N 1 2 328.372 3.341 10 5 EGBELO Cc1cc(NC2CCC(O)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000058201583 454170530 /nfs/dbraw/zinc/17/05/30/454170530.db2.gz IXJKGMZOELNSTQ-UHFFFAOYSA-N 1 2 328.372 3.076 10 5 EGBELO Cc1c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000121338877 454422197 /nfs/dbraw/zinc/42/21/97/454422197.db2.gz VIAHIJRQWNPSBM-KBXCAEBGSA-N 1 2 348.349 3.489 10 5 EGBELO Cc1c(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000121338877 454422200 /nfs/dbraw/zinc/42/22/00/454422200.db2.gz VIAHIJRQWNPSBM-KBXCAEBGSA-N 1 2 348.349 3.489 10 5 EGBELO Cc1ccnc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000091629023 454453055 /nfs/dbraw/zinc/45/30/55/454453055.db2.gz JOLLHRWSLFTPQJ-AWEZNQCLSA-N 1 2 344.390 3.321 10 5 EGBELO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000073605907 454457427 /nfs/dbraw/zinc/45/74/27/454457427.db2.gz XVRBSNAUDYFZTE-CYBMUJFWSA-N 1 2 331.372 3.264 10 5 EGBELO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000073605907 454457433 /nfs/dbraw/zinc/45/74/33/454457433.db2.gz XVRBSNAUDYFZTE-CYBMUJFWSA-N 1 2 331.372 3.264 10 5 EGBELO Cc1cc(NC(=O)CCCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000161757097 454720263 /nfs/dbraw/zinc/72/02/63/454720263.db2.gz UMAYIKKSEDITDO-UHFFFAOYSA-N 1 2 339.355 3.067 10 5 EGBELO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153093661 454759467 /nfs/dbraw/zinc/75/94/67/454759467.db2.gz CUMVBLNVVKQHBR-AWEZNQCLSA-N 1 2 339.395 3.289 10 5 EGBELO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153093661 454759469 /nfs/dbraw/zinc/75/94/69/454759469.db2.gz CUMVBLNVVKQHBR-AWEZNQCLSA-N 1 2 339.395 3.289 10 5 EGBELO O=C1NCC[C@H]1Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000179003087 454998137 /nfs/dbraw/zinc/99/81/37/454998137.db2.gz OSWGIHRFCROZLX-OAHLLOKOSA-N 1 2 334.404 3.016 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cs1 ZINC000152136290 455077882 /nfs/dbraw/zinc/07/78/82/455077882.db2.gz CELUFOCCWZWNFA-GFCCVEGCSA-N 1 2 333.417 3.031 10 5 EGBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cs1 ZINC000152136290 455077887 /nfs/dbraw/zinc/07/78/87/455077887.db2.gz CELUFOCCWZWNFA-GFCCVEGCSA-N 1 2 333.417 3.031 10 5 EGBELO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1nccs1 ZINC000184404992 455377926 /nfs/dbraw/zinc/37/79/26/455377926.db2.gz AZAKOZYKLHICQQ-NSHDSACASA-N 1 2 325.365 3.440 10 5 EGBELO CC(=O)c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000253419858 455843239 /nfs/dbraw/zinc/84/32/39/455843239.db2.gz ICQCBKGTAISFDK-AWEZNQCLSA-N 1 2 340.383 3.131 10 5 EGBELO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000301289571 456081990 /nfs/dbraw/zinc/08/19/90/456081990.db2.gz SPWGWGAVCSCYCR-UHFFFAOYSA-N 1 2 348.790 3.219 10 5 EGBELO CCOc1cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281193137 456158754 /nfs/dbraw/zinc/15/87/54/456158754.db2.gz ABVBZAZJWCKIAK-INIZCTEOSA-N 1 2 344.415 3.454 10 5 EGBELO CCOc1cc(C[N@H+]2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281193137 456158757 /nfs/dbraw/zinc/15/87/57/456158757.db2.gz ABVBZAZJWCKIAK-INIZCTEOSA-N 1 2 344.415 3.454 10 5 EGBELO COc1cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c([N+](=O)[O-])cc1F ZINC000281369394 456216745 /nfs/dbraw/zinc/21/67/45/456216745.db2.gz LOZVAHQITWVDGH-HNNXBMFYSA-N 1 2 348.378 3.203 10 5 EGBELO COc1cc(C[N@H+]2CCCC[C@H]2c2ccnn2C)c([N+](=O)[O-])cc1F ZINC000281369394 456216752 /nfs/dbraw/zinc/21/67/52/456216752.db2.gz LOZVAHQITWVDGH-HNNXBMFYSA-N 1 2 348.378 3.203 10 5 EGBELO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601145120 460730296 /nfs/dbraw/zinc/73/02/96/460730296.db2.gz ZXQRQKUZZAJJEW-NSHDSACASA-N 1 2 336.392 3.074 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](C2CC2)C1 ZINC000341040681 456811577 /nfs/dbraw/zinc/81/15/77/456811577.db2.gz GLTZPJUSCCEGOK-QGZVFWFLSA-N 1 2 345.443 3.053 10 5 EGBELO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000339082051 456931241 /nfs/dbraw/zinc/93/12/41/456931241.db2.gz PBRCTISHVSGZAK-UHFFFAOYSA-N 1 2 330.306 3.226 10 5 EGBELO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000339082051 456931244 /nfs/dbraw/zinc/93/12/44/456931244.db2.gz PBRCTISHVSGZAK-UHFFFAOYSA-N 1 2 330.306 3.226 10 5 EGBELO COc1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c(C)c1OC ZINC000339206010 456991727 /nfs/dbraw/zinc/99/17/27/456991727.db2.gz NPSKOTWUYSWGTM-GFCCVEGCSA-N 1 2 346.383 3.477 10 5 EGBELO Cc1cn2cc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)ccc2[nH+]1 ZINC000340135834 457342320 /nfs/dbraw/zinc/34/23/20/457342320.db2.gz VNAWBWXDQLTQKD-UHFFFAOYSA-N 1 2 349.350 3.213 10 5 EGBELO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000352717597 457553701 /nfs/dbraw/zinc/55/37/01/457553701.db2.gz BEEQSHXVDIHULO-UGSOOPFHSA-N 1 2 328.368 3.262 10 5 EGBELO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000352717597 457553710 /nfs/dbraw/zinc/55/37/10/457553710.db2.gz BEEQSHXVDIHULO-UGSOOPFHSA-N 1 2 328.368 3.262 10 5 EGBELO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000371435291 457928638 /nfs/dbraw/zinc/92/86/38/457928638.db2.gz BOCYCVWNHGERPD-CHWSQXEVSA-N 1 2 329.404 3.325 10 5 EGBELO Cn1nccc1C1=CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000375692202 458023145 /nfs/dbraw/zinc/02/31/45/458023145.db2.gz ZOCDFROMLLZIDF-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO Cn1nccc1C1=CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000375692202 458023150 /nfs/dbraw/zinc/02/31/50/458023150.db2.gz ZOCDFROMLLZIDF-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO CC[C@@H]1CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429295398 458312083 /nfs/dbraw/zinc/31/20/83/458312083.db2.gz PKLCZICNMGHJEC-LLVKDONJSA-N 1 2 346.168 3.184 10 5 EGBELO CC[C@@H]1CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429295398 458312088 /nfs/dbraw/zinc/31/20/88/458312088.db2.gz PKLCZICNMGHJEC-LLVKDONJSA-N 1 2 346.168 3.184 10 5 EGBELO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000372922321 458349472 /nfs/dbraw/zinc/34/94/72/458349472.db2.gz LNDNDCXNPLZGKM-DKISHCGFSA-N 1 2 335.367 3.105 10 5 EGBELO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ncnn21 ZINC000594957415 459192746 /nfs/dbraw/zinc/19/27/46/459192746.db2.gz OIJJNVQTRXHBNQ-SMDDNHRTSA-N 1 2 339.355 3.242 10 5 EGBELO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000595427544 459298007 /nfs/dbraw/zinc/29/80/07/459298007.db2.gz ZKLIQSZCYCCIHI-INIZCTEOSA-N 1 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ZINC000597245536 459894725 /nfs/dbraw/zinc/89/47/25/459894725.db2.gz ZOKPXEPHKWWUQM-YPMHNXCESA-N 1 2 332.322 3.445 10 5 EGBELO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000597245536 459894727 /nfs/dbraw/zinc/89/47/27/459894727.db2.gz ZOKPXEPHKWWUQM-YPMHNXCESA-N 1 2 332.322 3.445 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000589495947 460095881 /nfs/dbraw/zinc/09/58/81/460095881.db2.gz MLWDPKRDQBOOJQ-HNNXBMFYSA-N 1 2 345.355 3.015 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000589495947 460095889 /nfs/dbraw/zinc/09/58/89/460095889.db2.gz MLWDPKRDQBOOJQ-HNNXBMFYSA-N 1 2 345.355 3.015 10 5 EGBELO CC(C)C(=O)N1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599019202 460128494 /nfs/dbraw/zinc/12/84/94/460128494.db2.gz AMAYULFJEYITNY-UHFFFAOYSA-N 1 2 342.399 3.202 10 5 EGBELO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000619674804 460409109 /nfs/dbraw/zinc/40/91/09/460409109.db2.gz NFRUDWHHIPPWTJ-WTANOLMUSA-N 1 2 346.427 3.470 10 5 EGBELO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000619674804 460409114 /nfs/dbraw/zinc/40/91/14/460409114.db2.gz NFRUDWHHIPPWTJ-WTANOLMUSA-N 1 2 346.427 3.470 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(NCCc2cn3cccc(C)c3[nH+]2)n1 ZINC000611616938 460414615 /nfs/dbraw/zinc/41/46/15/460414615.db2.gz QWCJIHDQRLAZFP-UHFFFAOYSA-N 1 2 325.372 3.217 10 5 EGBELO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC000611764334 460455035 /nfs/dbraw/zinc/45/50/35/460455035.db2.gz WKKZHPYQMAHJOU-UHFFFAOYSA-N 1 2 335.367 3.182 10 5 EGBELO O=C(NCC[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600393162 460488656 /nfs/dbraw/zinc/48/86/56/460488656.db2.gz KVZDNWWJNODZAH-CQSZACIVSA-N 1 2 340.383 3.257 10 5 EGBELO Cc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000363365095 525121720 /nfs/dbraw/zinc/12/17/20/525121720.db2.gz FOKUQCTXCDIEPH-UHFFFAOYSA-N 1 2 329.360 3.038 10 5 EGBELO Cc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000363365095 525121726 /nfs/dbraw/zinc/12/17/26/525121726.db2.gz FOKUQCTXCDIEPH-UHFFFAOYSA-N 1 2 329.360 3.038 10 5 EGBELO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000872027695 1296673811 /nfs/dbraw/zinc/67/38/11/1296673811.db2.gz LKUZWNWRCHKDDX-CHWSQXEVSA-N 1 2 345.374 3.089 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617044 1303525655 /nfs/dbraw/zinc/52/56/55/1303525655.db2.gz CACTYNNXZGEIIR-FZMZJTMJSA-N 1 2 330.306 3.465 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617044 1303525657 /nfs/dbraw/zinc/52/56/57/1303525657.db2.gz CACTYNNXZGEIIR-FZMZJTMJSA-N 1 2 330.306 3.465 10 5 EGBELO CC(=O)c1ccc(N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000895191545 1309232538 /nfs/dbraw/zinc/23/25/38/1309232538.db2.gz AYJFKSJCMQHVLL-OAHLLOKOSA-N 1 2 328.372 3.479 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(Br)c1 ZINC001192391598 1367772196 /nfs/dbraw/zinc/77/21/96/1367772196.db2.gz SLFVXIDBYFRRSF-WDEREUQCSA-N 1 2 347.159 3.444 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(Br)c1 ZINC001192391598 1367772202 /nfs/dbraw/zinc/77/22/02/1367772202.db2.gz SLFVXIDBYFRRSF-WDEREUQCSA-N 1 2 347.159 3.444 10 5 EGBELO CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1C ZINC001128281768 1373245630 /nfs/dbraw/zinc/24/56/30/1373245630.db2.gz AFSVOPJVZFDQAH-CHWSQXEVSA-N 1 2 328.372 3.041 10 5 EGBELO O=C(Nc1cncc(Cl)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001133790285 1376208111 /nfs/dbraw/zinc/20/81/11/1376208111.db2.gz PPPDGRWSVWODAF-UHFFFAOYSA-N 1 2 343.730 3.081 10 5 EGBELO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001163942317 1383138219 /nfs/dbraw/zinc/13/82/19/1383138219.db2.gz UBVHPPROKWMIME-MRXNPFEDSA-N 1 2 328.328 3.102 10 5 EGBELO C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001163942317 1383138221 /nfs/dbraw/zinc/13/82/21/1383138221.db2.gz UBVHPPROKWMIME-MRXNPFEDSA-N 1 2 328.328 3.102 10 5 EGBELO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)nc1-c1ccc(F)cc1 ZINC001307134097 1383943326 /nfs/dbraw/zinc/94/33/26/1383943326.db2.gz PCHHAZPBTZRSTE-UHFFFAOYSA-N 1 2 339.330 3.082 10 5 EGBELO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001348022799 1391160933 /nfs/dbraw/zinc/16/09/33/1391160933.db2.gz XDDHENGJMAHANJ-UHFFFAOYSA-N 1 2 348.790 3.066 10 5 EGBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001348763115 1391263533 /nfs/dbraw/zinc/26/35/33/1391263533.db2.gz NNEHUJZWJCJAJV-ZDUSSCGKSA-N 1 2 336.351 3.272 10 5 EGBELO CC[C@H]([NH2+]Cc1csc(NC(C)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC000181537276 529636873 /nfs/dbraw/zinc/63/68/73/529636873.db2.gz HRAUGFPGAKACIT-AWEZNQCLSA-N 1 2 334.401 3.251 10 5 EGBELO CC(C)c1ccc(Oc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])cc1 ZINC000040611121 213357740 /nfs/dbraw/zinc/35/77/40/213357740.db2.gz AGUGGZBCEIRQNE-UHFFFAOYSA-N 1 2 325.328 3.486 10 5 EGBELO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000355962914 166360739 /nfs/dbraw/zinc/36/07/39/166360739.db2.gz XYOWSCRLZMEMBS-MGPQQGTHSA-N 1 2 342.399 3.287 10 5 EGBELO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000359037716 167045814 /nfs/dbraw/zinc/04/58/14/167045814.db2.gz BDWMTDPRELUGHL-UHFFFAOYSA-N 1 2 344.758 3.134 10 5 EGBELO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171364936 227042102 /nfs/dbraw/zinc/04/21/02/227042102.db2.gz HLCYLGCDYDDVIF-CQSZACIVSA-N 1 2 349.394 3.476 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278755027 275271793 /nfs/dbraw/zinc/27/17/93/275271793.db2.gz MIGOVTGEHBLIGC-LLVKDONJSA-N 1 2 345.321 3.116 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278755027 275271794 /nfs/dbraw/zinc/27/17/94/275271794.db2.gz 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/nfs/dbraw/zinc/91/39/38/456913938.db2.gz QBNBXDQDZVDBTM-KZULUSFZSA-N 1 2 328.368 3.124 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000359930436 457154177 /nfs/dbraw/zinc/15/41/77/457154177.db2.gz CUAATPREXDCFME-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)[C@H](C)O1 ZINC000446074918 458141802 /nfs/dbraw/zinc/14/18/02/458141802.db2.gz ZUWSDRNCDIBLTF-UPJWGTAASA-N 1 2 331.372 3.248 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)[C@H](C)O1 ZINC000446074918 458141807 /nfs/dbraw/zinc/14/18/07/458141807.db2.gz ZUWSDRNCDIBLTF-UPJWGTAASA-N 1 2 331.372 3.248 10 5 EGBELO CCC(CC)[C@@H]1C[C@@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000447671395 458327974 /nfs/dbraw/zinc/32/79/74/458327974.db2.gz MMRWQRXCDQACJK-LRDDRELGSA-N 1 2 332.404 3.289 10 5 EGBELO O=C(C[NH+]1CCC(c2ccco2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595617527 459370306 /nfs/dbraw/zinc/37/03/06/459370306.db2.gz VPQNJGMSGXVCDU-UHFFFAOYSA-N 1 2 329.356 3.006 10 5 EGBELO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1)OCCO2 ZINC000591640238 459416596 /nfs/dbraw/zinc/41/65/96/459416596.db2.gz ZBKMXTXBBNSOGG-MSOLQXFVSA-N 1 2 344.342 3.093 10 5 EGBELO Cc1c(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484534631 459419166 /nfs/dbraw/zinc/41/91/66/459419166.db2.gz CPEOOZKJNFGPBA-SFHVURJKSA-N 1 2 342.395 3.183 10 5 EGBELO Cc1c(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484534631 459419170 /nfs/dbraw/zinc/41/91/70/459419170.db2.gz CPEOOZKJNFGPBA-SFHVURJKSA-N 1 2 342.395 3.183 10 5 EGBELO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000543575449 459670472 /nfs/dbraw/zinc/67/04/72/459670472.db2.gz YUACYSFMOVLHKT-UHFFFAOYSA-N 1 2 338.404 3.157 10 5 EGBELO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000543575449 459670476 /nfs/dbraw/zinc/67/04/76/459670476.db2.gz YUACYSFMOVLHKT-UHFFFAOYSA-N 1 2 338.404 3.157 10 5 EGBELO CN(Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596899019 459790177 /nfs/dbraw/zinc/79/01/77/459790177.db2.gz CXYZBNABESBUEM-UHFFFAOYSA-N 1 2 331.376 3.279 10 5 EGBELO CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596899019 459790182 /nfs/dbraw/zinc/79/01/82/459790182.db2.gz CXYZBNABESBUEM-UHFFFAOYSA-N 1 2 331.376 3.279 10 5 EGBELO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596930682 459799068 /nfs/dbraw/zinc/79/90/68/459799068.db2.gz DMMDEGWEYMRBML-CYBMUJFWSA-N 1 2 345.403 3.010 10 5 EGBELO CCc1[nH+]c(C)ccc1OCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593237894 459816408 /nfs/dbraw/zinc/81/64/08/459816408.db2.gz ZNDLYQOXSJJDHI-UHFFFAOYSA-N 1 2 330.340 3.226 10 5 EGBELO CC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000598251839 459840727 /nfs/dbraw/zinc/84/07/27/459840727.db2.gz VYCYCWSGXUJTEC-QGZVFWFLSA-N 1 2 328.372 3.089 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@]3(CO)CCc4ccccc43)c2c1 ZINC000593485296 459903270 /nfs/dbraw/zinc/90/32/70/459903270.db2.gz VXOPEZCZVCAGBM-HXUWFJFHSA-N 1 2 349.390 3.431 10 5 EGBELO Cc1cc(NCC[C@H]2CC2(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000598635100 459972135 /nfs/dbraw/zinc/97/21/35/459972135.db2.gz BAYXVVPYVYVOCU-LBPRGKRZSA-N 1 2 334.326 3.239 10 5 EGBELO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000609513041 459973277 /nfs/dbraw/zinc/97/32/77/459973277.db2.gz JBUJWTMLAUVCEJ-LBPRGKRZSA-N 1 2 348.353 3.345 10 5 EGBELO O=[N+]([O-])c1ncccc1N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000609513041 459973283 /nfs/dbraw/zinc/97/32/83/459973283.db2.gz JBUJWTMLAUVCEJ-LBPRGKRZSA-N 1 2 348.353 3.345 10 5 EGBELO Cc1ncc2c(n1)CC[C@H](Nc1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000599032575 460133986 /nfs/dbraw/zinc/13/39/86/460133986.db2.gz UKLBTWDXFQRLEJ-AWEZNQCLSA-N 1 2 335.367 3.211 10 5 EGBELO CC(C)(C)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1O ZINC000599064711 460147659 /nfs/dbraw/zinc/14/76/59/460147659.db2.gz GSXPWZIXVLZNMC-GDBMZVCRSA-N 1 2 329.400 3.376 10 5 EGBELO COC(=O)C1C[C@H](C)[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000599696557 460315056 /nfs/dbraw/zinc/31/50/56/460315056.db2.gz PAINCTYEVXMNAK-UWVGGRQHSA-N 1 2 342.342 3.035 10 5 EGBELO Cn1cc[nH+]c1[C@H](NCc1ccc(Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000611560269 460398858 /nfs/dbraw/zinc/39/88/58/460398858.db2.gz JLIRYFIUHPHMGR-OAHLLOKOSA-N 1 2 346.774 3.454 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174840619 527954401 /nfs/dbraw/zinc/95/44/01/527954401.db2.gz JUBPJKPKEFFBFR-AWEZNQCLSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174840619 527954404 /nfs/dbraw/zinc/95/44/04/527954404.db2.gz JUBPJKPKEFFBFR-AWEZNQCLSA-N 1 2 339.823 3.129 10 5 EGBELO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872047417 1296698445 /nfs/dbraw/zinc/69/84/45/1296698445.db2.gz BNOSHUGGKZZFFS-IUODEOHRSA-N 1 2 349.406 3.318 10 5 EGBELO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc2c[nH+]ccc2[nH]1 ZINC001137531552 1377561681 /nfs/dbraw/zinc/56/16/81/1377561681.db2.gz VMEDNEARYOBSJY-UHFFFAOYSA-N 1 2 330.731 3.055 10 5 EGBELO Cc1cc(Cl)c(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC001295559400 1382724289 /nfs/dbraw/zinc/72/42/89/1382724289.db2.gz LGXLOFKZNMQIFA-UHFFFAOYSA-N 1 2 334.763 3.270 10 5 EGBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001299858904 1383632618 /nfs/dbraw/zinc/63/26/18/1383632618.db2.gz PJNNJMWCKLJQAQ-UHFFFAOYSA-N 1 2 337.339 3.075 10 5 EGBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(c2ccccc2)C1 ZINC001302340406 1383749567 /nfs/dbraw/zinc/74/95/67/1383749567.db2.gz QKSKCJYZJCMCJH-UHFFFAOYSA-N 1 2 348.362 3.020 10 5 EGBELO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC001307926370 1384058361 /nfs/dbraw/zinc/05/83/61/1384058361.db2.gz RZMOIXKVZUEQCJ-CYBMUJFWSA-N 1 2 338.404 3.026 10 5 EGBELO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)OC(C)(C)C ZINC001307926370 1384058368 /nfs/dbraw/zinc/05/83/68/1384058368.db2.gz RZMOIXKVZUEQCJ-CYBMUJFWSA-N 1 2 338.404 3.026 10 5 EGBELO COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001348992964 1391293569 /nfs/dbraw/zinc/29/35/69/1391293569.db2.gz OKPIEKNQHDVBAZ-UHFFFAOYSA-N 1 2 338.323 3.041 10 5 EGBELO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccc([N+](=O)[O-])o1 ZINC000035381681 213024861 /nfs/dbraw/zinc/02/48/61/213024861.db2.gz MDLKZCWLBSDSPL-GFCCVEGCSA-N 1 2 327.134 3.007 10 5 EGBELO COc1cc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])cc1F ZINC000079099303 217193042 /nfs/dbraw/zinc/19/30/42/217193042.db2.gz YIKVJLIUCHPGKV-UHFFFAOYSA-N 1 2 330.319 3.045 10 5 EGBELO Cc1c(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cccc1[N+](=O)[O-] ZINC000185475058 144113404 /nfs/dbraw/zinc/11/34/04/144113404.db2.gz GMCVVESXTLGJLD-CQSZACIVSA-N 1 2 337.383 3.335 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093457612 162010465 /nfs/dbraw/zinc/01/04/65/162010465.db2.gz HIXGZJOCZCAHRY-QTWIXLPOSA-N 1 2 340.379 3.387 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093457612 162010468 /nfs/dbraw/zinc/01/04/68/162010468.db2.gz HIXGZJOCZCAHRY-QTWIXLPOSA-N 1 2 340.379 3.387 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126605992 162308655 /nfs/dbraw/zinc/30/86/55/162308655.db2.gz SCYBGZRNCYVMOU-UGSOOPFHSA-N 1 2 328.368 3.435 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126605992 162308659 /nfs/dbraw/zinc/30/86/59/162308659.db2.gz SCYBGZRNCYVMOU-UGSOOPFHSA-N 1 2 328.368 3.435 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(Nc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000359110047 167069400 /nfs/dbraw/zinc/06/94/00/167069400.db2.gz QLFULAZVURBGQI-UHFFFAOYSA-N 1 2 342.399 3.182 10 5 EGBELO CC(C)(C)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000413222153 309022263 /nfs/dbraw/zinc/02/22/63/309022263.db2.gz KCXZCUPUPQWCPX-HZPDHXFCSA-N 1 2 329.400 3.376 10 5 EGBELO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413221014 309022309 /nfs/dbraw/zinc/02/23/09/309022309.db2.gz RDROAHZHZJSXIO-GFCCVEGCSA-N 1 2 348.353 3.151 10 5 EGBELO O=C(NC1(C2CCC2)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458195584 310490815 /nfs/dbraw/zinc/49/08/15/310490815.db2.gz FZLKFNIZHSSUBM-UHFFFAOYSA-N 1 2 340.383 3.233 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000487177225 311013994 /nfs/dbraw/zinc/01/39/94/311013994.db2.gz CWWDUNWYGSTOOZ-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3ccc(F)c(F)c3C2)c1 ZINC000487177225 311013996 /nfs/dbraw/zinc/01/39/96/311013996.db2.gz CWWDUNWYGSTOOZ-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO Cc1ccc2[nH+]c(CNc3c4ccccc4ncc3[N+](=O)[O-])cn2c1 ZINC000487750181 311036420 /nfs/dbraw/zinc/03/64/20/311036420.db2.gz LSMCBSBFOFMTCV-UHFFFAOYSA-N 1 2 333.351 3.133 10 5 EGBELO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531881481 313725727 /nfs/dbraw/zinc/72/57/27/313725727.db2.gz DQYQHFRLIVRSSH-UHFFFAOYSA-N 1 2 343.730 3.081 10 5 EGBELO COC(=O)c1cc([N+](=O)[O-])ccc1Sc1[nH+]cc2ccccn21 ZINC000032923310 453897372 /nfs/dbraw/zinc/89/73/72/453897372.db2.gz TXKLOMAKCQBQLI-UHFFFAOYSA-N 1 2 329.337 3.180 10 5 EGBELO CC(=O)c1ccc(NCc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000075722592 453922096 /nfs/dbraw/zinc/92/20/96/453922096.db2.gz MFJBCNVJJMYQKP-UHFFFAOYSA-N 1 2 342.277 3.168 10 5 EGBELO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCCCC1 ZINC000130545497 454203490 /nfs/dbraw/zinc/20/34/90/454203490.db2.gz DJCGSCNPSTUHIC-UHFFFAOYSA-N 1 2 331.416 3.008 10 5 EGBELO [NH2+]=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1O ZINC000095931653 454233107 /nfs/dbraw/zinc/23/31/07/454233107.db2.gz JHYTYJPIZSXKIN-UHFFFAOYSA-N 1 2 334.715 3.179 10 5 EGBELO CSc1ccc(C(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000131432961 454254195 /nfs/dbraw/zinc/25/41/95/454254195.db2.gz WJGSHLBOKWSIMD-UHFFFAOYSA-N 1 2 348.428 3.099 10 5 EGBELO C[C@@H]1CN(c2ccc(CNc3ccsc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000063262327 454400580 /nfs/dbraw/zinc/40/05/80/454400580.db2.gz MMQFLUPXEVHQSO-TXEJJXNPSA-N 1 2 348.428 3.277 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080935122 454650194 /nfs/dbraw/zinc/65/01/94/454650194.db2.gz DEBLPDSVYPYJBD-LLVKDONJSA-N 1 2 348.790 3.102 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080935122 454650204 /nfs/dbraw/zinc/65/02/04/454650204.db2.gz DEBLPDSVYPYJBD-LLVKDONJSA-N 1 2 348.790 3.102 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080935117 454650554 /nfs/dbraw/zinc/65/05/54/454650554.db2.gz DEBLPDSVYPYJBD-NSHDSACASA-N 1 2 348.790 3.102 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080935117 454650557 /nfs/dbraw/zinc/65/05/57/454650557.db2.gz DEBLPDSVYPYJBD-NSHDSACASA-N 1 2 348.790 3.102 10 5 EGBELO Cc1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C1CC1 ZINC000154965241 454948987 /nfs/dbraw/zinc/94/89/87/454948987.db2.gz DIYYGXINBBIORH-UHFFFAOYSA-N 1 2 329.404 3.240 10 5 EGBELO Cc1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C1CC1 ZINC000154965241 454948990 /nfs/dbraw/zinc/94/89/90/454948990.db2.gz DIYYGXINBBIORH-UHFFFAOYSA-N 1 2 329.404 3.240 10 5 EGBELO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000173928283 455342144 /nfs/dbraw/zinc/34/21/44/455342144.db2.gz WHVNTDLYRFXUHD-ZDUSSCGKSA-N 1 2 336.351 3.272 10 5 EGBELO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000184236569 455364580 /nfs/dbraw/zinc/36/45/80/455364580.db2.gz NJLOJDXPUBJGIW-MNOVXSKESA-N 1 2 334.401 3.038 10 5 EGBELO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000247262445 455580081 /nfs/dbraw/zinc/58/00/81/455580081.db2.gz XRADQWIYNIKYLW-KSSFIOAISA-N 1 2 348.349 3.489 10 5 EGBELO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000247262445 455580083 /nfs/dbraw/zinc/58/00/83/455580083.db2.gz XRADQWIYNIKYLW-KSSFIOAISA-N 1 2 348.349 3.489 10 5 EGBELO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000280324033 455947154 /nfs/dbraw/zinc/94/71/54/455947154.db2.gz QPGYECLJUFGBFG-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000280324033 455947159 /nfs/dbraw/zinc/94/71/59/455947159.db2.gz QPGYECLJUFGBFG-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO CC(C)Oc1cccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347783153 456365888 /nfs/dbraw/zinc/36/58/88/456365888.db2.gz KJOCYYWZVIHKHC-UHFFFAOYSA-N 1 2 327.384 3.335 10 5 EGBELO CC(C)Oc1cccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347783153 456365905 /nfs/dbraw/zinc/36/59/05/456365905.db2.gz KJOCYYWZVIHKHC-UHFFFAOYSA-N 1 2 327.384 3.335 10 5 EGBELO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000348203649 456534898 /nfs/dbraw/zinc/53/48/98/456534898.db2.gz BPFYAOCOWMMUMG-UHFFFAOYSA-N 1 2 340.339 3.202 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348287739 456599639 /nfs/dbraw/zinc/59/96/39/456599639.db2.gz VXTNCCQZWIEQTO-BREBYQMCSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348287739 456599643 /nfs/dbraw/zinc/59/96/43/456599643.db2.gz VXTNCCQZWIEQTO-BREBYQMCSA-N 1 2 345.321 3.195 10 5 EGBELO Cc1cn2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000339120005 456949335 /nfs/dbraw/zinc/94/93/35/456949335.db2.gz WAIXLXUSYKSYHP-UHFFFAOYSA-N 1 2 330.731 3.457 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000339195545 456986388 /nfs/dbraw/zinc/98/63/88/456986388.db2.gz NLHFCQQMKJKRAZ-UHFFFAOYSA-N 1 2 345.374 3.152 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000339195545 456986390 /nfs/dbraw/zinc/98/63/90/456986390.db2.gz NLHFCQQMKJKRAZ-UHFFFAOYSA-N 1 2 345.374 3.152 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357282103 457419678 /nfs/dbraw/zinc/41/96/78/457419678.db2.gz JTESQNXTMLGTAW-UHFFFAOYSA-N 1 2 342.355 3.124 10 5 EGBELO CSc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000364503463 457626908 /nfs/dbraw/zinc/62/69/08/457626908.db2.gz JXLQADZOGLJETH-UHFFFAOYSA-N 1 2 346.412 3.060 10 5 EGBELO CSc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000364503463 457626913 /nfs/dbraw/zinc/62/69/13/457626913.db2.gz JXLQADZOGLJETH-UHFFFAOYSA-N 1 2 346.412 3.060 10 5 EGBELO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000372922320 458349494 /nfs/dbraw/zinc/34/94/94/458349494.db2.gz LNDNDCXNPLZGKM-BHMZLHOFSA-N 1 2 335.367 3.105 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000430215659 458423351 /nfs/dbraw/zinc/42/33/51/458423351.db2.gz CNJXMRBPOFWNGC-CYBMUJFWSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000430215659 458423352 /nfs/dbraw/zinc/42/33/52/458423352.db2.gz CNJXMRBPOFWNGC-CYBMUJFWSA-N 1 2 332.322 3.445 10 5 EGBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484567650 459420166 /nfs/dbraw/zinc/42/01/66/459420166.db2.gz NZCHOKOYDGQFIZ-RDJZCZTQSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484567650 459420173 /nfs/dbraw/zinc/42/01/73/459420173.db2.gz NZCHOKOYDGQFIZ-RDJZCZTQSA-N 1 2 342.395 3.436 10 5 EGBELO COC(=O)c1c(Cl)c(NCCc2ccc(C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000596120862 459528092 /nfs/dbraw/zinc/52/80/92/459528092.db2.gz UJQZFHOTUABYRF-UHFFFAOYSA-N 1 2 349.774 3.393 10 5 EGBELO COc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596172034 459547233 /nfs/dbraw/zinc/54/72/33/459547233.db2.gz IAWNWQVGOCEADT-NSHDSACASA-N 1 2 348.790 3.343 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000584476097 459749513 /nfs/dbraw/zinc/74/95/13/459749513.db2.gz OAQGABPHNQVFSD-ALCCZGGFSA-N 1 2 338.363 3.481 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000584476097 459749516 /nfs/dbraw/zinc/74/95/16/459749516.db2.gz OAQGABPHNQVFSD-ALCCZGGFSA-N 1 2 338.363 3.481 10 5 EGBELO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCCCO1 ZINC000602448260 459943695 /nfs/dbraw/zinc/94/36/95/459943695.db2.gz IABSGUNDAWNQHK-SECBINFHSA-N 1 2 349.250 3.420 10 5 EGBELO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCCCO1 ZINC000602448260 459943703 /nfs/dbraw/zinc/94/37/03/459943703.db2.gz IABSGUNDAWNQHK-SECBINFHSA-N 1 2 349.250 3.420 10 5 EGBELO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCCCO1 ZINC000602448261 459944086 /nfs/dbraw/zinc/94/40/86/459944086.db2.gz IABSGUNDAWNQHK-VIFPVBQESA-N 1 2 349.250 3.420 10 5 EGBELO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCCCO1 ZINC000602448261 459944089 /nfs/dbraw/zinc/94/40/89/459944089.db2.gz IABSGUNDAWNQHK-VIFPVBQESA-N 1 2 349.250 3.420 10 5 EGBELO O=C(C[NH2+][C@@H](C(F)F)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000598651165 459977917 /nfs/dbraw/zinc/97/79/17/459977917.db2.gz WUBJZTLZUKUILE-OAHLLOKOSA-N 1 2 341.358 3.337 10 5 EGBELO Cc1cn2cc(NC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000610018746 460052099 /nfs/dbraw/zinc/05/20/99/460052099.db2.gz NKLQYWACJJPORH-GFCCVEGCSA-N 1 2 339.355 3.434 10 5 EGBELO Cc1c([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)cccc1[N+](=O)[O-] ZINC000598943781 460097940 /nfs/dbraw/zinc/09/79/40/460097940.db2.gz YCRVDMKJGSRKRE-ACJLOTCBSA-N 1 2 339.395 3.267 10 5 EGBELO Cc1noc(C2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)n1 ZINC000599028635 460132436 /nfs/dbraw/zinc/13/24/36/460132436.db2.gz YRDRGQNMFUTTHL-UHFFFAOYSA-N 1 2 339.355 3.218 10 5 EGBELO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000576410597 460137528 /nfs/dbraw/zinc/13/75/28/460137528.db2.gz MYKCNXRMHIHCPM-NSHDSACASA-N 1 2 330.388 3.433 10 5 EGBELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000576410597 460137534 /nfs/dbraw/zinc/13/75/34/460137534.db2.gz MYKCNXRMHIHCPM-NSHDSACASA-N 1 2 330.388 3.433 10 5 EGBELO O=[N+]([O-])c1c(NCCc2cnc(C3CC3)nc2)ccc2c[nH+]ccc21 ZINC000599058594 460145244 /nfs/dbraw/zinc/14/52/44/460145244.db2.gz KDXHFNIUNQXCSE-UHFFFAOYSA-N 1 2 335.367 3.465 10 5 EGBELO CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599063269 460147757 /nfs/dbraw/zinc/14/77/57/460147757.db2.gz YGFOIMDUELFNAJ-CYBMUJFWSA-N 1 2 343.383 3.311 10 5 EGBELO O=[N+]([O-])c1c(NCCOCC(F)(F)C(F)F)ccc2c[nH+]ccc21 ZINC000599073134 460152796 /nfs/dbraw/zinc/15/27/96/460152796.db2.gz LOQRBPYTXDOPJK-UHFFFAOYSA-N 1 2 347.268 3.472 10 5 EGBELO Cc1cc[nH+]c([C@@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000599102749 460161596 /nfs/dbraw/zinc/16/15/96/460161596.db2.gz TXHXZRLWBFOSSJ-CYBMUJFWSA-N 1 2 335.367 3.235 10 5 EGBELO CC(C)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000599169907 460185551 /nfs/dbraw/zinc/18/55/51/460185551.db2.gz JRQFODHWNWLPEA-UHFFFAOYSA-N 1 2 342.399 3.204 10 5 EGBELO CC(C)(C)c1csc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000601150295 460733583 /nfs/dbraw/zinc/73/35/83/460733583.db2.gz UZMUPUKDYLKBAA-QGZVFWFLSA-N 1 2 349.456 3.346 10 5 EGBELO Cc1c[nH+]c(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c(C)c1 ZINC000601187124 460743920 /nfs/dbraw/zinc/74/39/20/460743920.db2.gz OQMOZJWVEOFCLL-UHFFFAOYSA-N 1 2 343.309 3.014 10 5 EGBELO CNC(=O)C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872069687 1296716900 /nfs/dbraw/zinc/71/69/00/1296716900.db2.gz SEYAMWZTWJULAJ-SWLSCSKDSA-N 1 2 345.374 3.262 10 5 EGBELO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000923967654 1322859617 /nfs/dbraw/zinc/85/96/17/1322859617.db2.gz POYUKOAFPOLPPH-UHFFFAOYSA-N 1 2 337.763 3.011 10 5 EGBELO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001149405142 1379377698 /nfs/dbraw/zinc/37/76/98/1379377698.db2.gz UTVSLZMPXDYVIO-UHFFFAOYSA-N 1 2 348.428 3.367 10 5 EGBELO CC[N@H+](CCNC(=O)C1(CC)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317483608 1385180593 /nfs/dbraw/zinc/18/05/93/1385180593.db2.gz FSSWWPBPNLQKMA-UHFFFAOYSA-N 1 2 339.461 3.175 10 5 EGBELO CC[N@@H+](CCNC(=O)C1(CC)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317483608 1385180594 /nfs/dbraw/zinc/18/05/94/1385180594.db2.gz FSSWWPBPNLQKMA-UHFFFAOYSA-N 1 2 339.461 3.175 10 5 EGBELO O=C(C=C1CCC1)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001725815647 1426492293 /nfs/dbraw/zinc/49/22/93/1426492293.db2.gz XADXQQRJWAIHEN-UHFFFAOYSA-N 1 2 347.440 3.015 10 5 EGBELO O=C(C=C1CCC1)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001725815647 1426492297 /nfs/dbraw/zinc/49/22/97/1426492297.db2.gz XADXQQRJWAIHEN-UHFFFAOYSA-N 1 2 347.440 3.015 10 5 EGBELO CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001716719127 1420876113 /nfs/dbraw/zinc/87/61/13/1420876113.db2.gz SCQZMTLROHQOHK-CALCHBBNSA-N 1 2 345.443 3.350 10 5 EGBELO CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001716719127 1420876115 /nfs/dbraw/zinc/87/61/15/1420876115.db2.gz SCQZMTLROHQOHK-CALCHBBNSA-N 1 2 345.443 3.350 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@@H](O)c2cccc(F)c2)c1 ZINC000049998702 214040498 /nfs/dbraw/zinc/04/04/98/214040498.db2.gz WXLFBNYRHYCRGX-MRXNPFEDSA-N 1 2 327.315 3.331 10 5 EGBELO Cc1c(Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000047369988 213845837 /nfs/dbraw/zinc/84/58/37/213845837.db2.gz GVXAZMNFFSHWLH-GFCCVEGCSA-N 1 2 340.383 3.094 10 5 EGBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000339065785 299322755 /nfs/dbraw/zinc/32/27/55/299322755.db2.gz HEZPFMGFOXJIQE-ZDUSSCGKSA-N 1 2 338.367 3.337 10 5 EGBELO CC[NH+](CC)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000166093307 284789840 /nfs/dbraw/zinc/78/98/40/284789840.db2.gz PXEINGJXEPAHFW-KRWDZBQOSA-N 1 2 343.383 3.322 10 5 EGBELO CCOc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000096011519 218513841 /nfs/dbraw/zinc/51/38/41/218513841.db2.gz MGLXNODMPKIICZ-UHFFFAOYSA-N 1 2 342.399 3.469 10 5 EGBELO Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(-c2ccncc2)[nH+]1 ZINC000337817434 141061194 /nfs/dbraw/zinc/06/11/94/141061194.db2.gz PAEVSTLNLUCSOH-UHFFFAOYSA-N 1 2 349.394 3.434 10 5 EGBELO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000355061024 166096962 /nfs/dbraw/zinc/09/69/62/166096962.db2.gz VVDXCXYLGAMRPZ-UHFFFAOYSA-N 1 2 343.383 3.395 10 5 EGBELO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000355962916 166360916 /nfs/dbraw/zinc/36/09/16/166360916.db2.gz XYOWSCRLZMEMBS-RDBSUJKOSA-N 1 2 342.399 3.287 10 5 EGBELO Cc1[nH+]c2ccccc2n1CCCCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000359157647 167083976 /nfs/dbraw/zinc/08/39/76/167083976.db2.gz GAELGVPMXLWXSK-UHFFFAOYSA-N 1 2 340.383 3.285 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000366642314 168127305 /nfs/dbraw/zinc/12/73/05/168127305.db2.gz PQRUVFQNSWYAAT-OAHLLOKOSA-N 1 2 334.397 3.238 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000366642314 168127307 /nfs/dbraw/zinc/12/73/07/168127307.db2.gz PQRUVFQNSWYAAT-OAHLLOKOSA-N 1 2 334.397 3.238 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]23CCOC3)ccc1Br ZINC000367459989 168228508 /nfs/dbraw/zinc/22/85/08/168228508.db2.gz XOHAKANBPMMYHD-AWEZNQCLSA-N 1 2 341.205 3.112 10 5 EGBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@]23CCOC3)ccc1Br ZINC000367459989 168228510 /nfs/dbraw/zinc/22/85/10/168228510.db2.gz XOHAKANBPMMYHD-AWEZNQCLSA-N 1 2 341.205 3.112 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCCSCC2)ccc1Br ZINC000122998411 222196428 /nfs/dbraw/zinc/19/64/28/222196428.db2.gz ACVUDNXUBSWIJS-UHFFFAOYSA-N 1 2 331.235 3.296 10 5 EGBELO O=[N+]([O-])c1cc(C[N@H+]2CCCSCC2)ccc1Br ZINC000122998411 222196430 /nfs/dbraw/zinc/19/64/30/222196430.db2.gz ACVUDNXUBSWIJS-UHFFFAOYSA-N 1 2 331.235 3.296 10 5 EGBELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000161124335 307898880 /nfs/dbraw/zinc/89/88/80/307898880.db2.gz IRPFSHWRSZVQDR-WDEREUQCSA-N 1 2 334.401 3.119 10 5 EGBELO C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000295001143 308280465 /nfs/dbraw/zinc/28/04/65/308280465.db2.gz BXYINWMJIOBUSI-ABAIWWIYSA-N 1 2 348.790 3.168 10 5 EGBELO CCc1cc(NC[C@H]2CCC[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301355364 308697530 /nfs/dbraw/zinc/69/75/30/308697530.db2.gz LRSHNUNMEJDPIX-CJNGLKHVSA-N 1 2 342.399 3.187 10 5 EGBELO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)(C)C ZINC000492786978 311291063 /nfs/dbraw/zinc/29/10/63/311291063.db2.gz CJFXCEZBSAQITF-UHFFFAOYSA-N 1 2 338.404 3.157 10 5 EGBELO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)(C)C ZINC000492786978 311291064 /nfs/dbraw/zinc/29/10/64/311291064.db2.gz CJFXCEZBSAQITF-UHFFFAOYSA-N 1 2 338.404 3.157 10 5 EGBELO C[C@H](CCOCc1ccccc1)[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000390369979 324282050 /nfs/dbraw/zinc/28/20/50/324282050.db2.gz VKBYYFKDIAOFKC-CYBMUJFWSA-N 1 2 340.383 3.300 10 5 EGBELO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282591015 456563015 /nfs/dbraw/zinc/56/30/15/456563015.db2.gz WYFAYBWETDLOCQ-PEGIJTEDSA-N 1 2 343.221 3.091 10 5 EGBELO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000026929399 453808649 /nfs/dbraw/zinc/80/86/49/453808649.db2.gz UOMAZQFKJGTYLG-KRWDZBQOSA-N 1 2 325.368 3.198 10 5 EGBELO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000026929399 453808651 /nfs/dbraw/zinc/80/86/51/453808651.db2.gz UOMAZQFKJGTYLG-KRWDZBQOSA-N 1 2 325.368 3.198 10 5 EGBELO Cc1cccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000041789374 453978448 /nfs/dbraw/zinc/97/84/48/453978448.db2.gz AUWCIMIKOQFQHC-UHFFFAOYSA-N 1 2 344.758 3.134 10 5 EGBELO Cc1[nH+]ccn1Cc1ccc(NCc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000089735750 454187662 /nfs/dbraw/zinc/18/76/62/454187662.db2.gz HPEKDBFUTXSTHU-UHFFFAOYSA-N 1 2 338.367 3.466 10 5 EGBELO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000072303847 454292052 /nfs/dbraw/zinc/29/20/52/454292052.db2.gz XQKYRYZEFPQMMD-UHFFFAOYSA-N 1 2 348.167 3.097 10 5 EGBELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000162604720 454787338 /nfs/dbraw/zinc/78/73/38/454787338.db2.gz GPSPDLLJGSVHSL-SJKOYZFVSA-N 1 2 337.383 3.462 10 5 EGBELO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178671920 454967587 /nfs/dbraw/zinc/96/75/87/454967587.db2.gz MFDRZKBLCQWPEE-HZPDHXFCSA-N 1 2 331.347 3.001 10 5 EGBELO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173935928 455342685 /nfs/dbraw/zinc/34/26/85/455342685.db2.gz ZONQNJXSTTYHIP-LLVKDONJSA-N 1 2 342.380 3.333 10 5 EGBELO Cn1nccc1C1=CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000285632530 455886435 /nfs/dbraw/zinc/88/64/35/455886435.db2.gz NXEXHVJKYDHJSJ-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO Cn1nccc1C1=CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000285632530 455886439 /nfs/dbraw/zinc/88/64/39/455886439.db2.gz NXEXHVJKYDHJSJ-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO CO[C@H](C)c1noc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345549 455921358 /nfs/dbraw/zinc/92/13/58/455921358.db2.gz PLRRJUSYWGNOAI-NWDGAFQWSA-N 1 2 334.376 3.187 10 5 EGBELO CO[C@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345549 455921362 /nfs/dbraw/zinc/92/13/62/455921362.db2.gz 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O=[N+]([O-])c1c(NCCCO[C@H]2CCCCO2)ccc2c[nH+]ccc21 ZINC000599071188 460150303 /nfs/dbraw/zinc/15/03/03/460150303.db2.gz QAQQVQKGAGDGRN-INIZCTEOSA-N 1 2 331.372 3.488 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCOC[C@@H](C2CCC2)C1 ZINC000599081539 460155563 /nfs/dbraw/zinc/15/55/63/460155563.db2.gz OKMMZASNEDTGBN-HNNXBMFYSA-N 1 2 327.384 3.396 10 5 EGBELO CC1(C)Cc2n[nH]cc2CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599110886 460163992 /nfs/dbraw/zinc/16/39/92/460163992.db2.gz FSDVXQABOYMVQY-UHFFFAOYSA-N 1 2 337.383 3.455 10 5 EGBELO O=[N+]([O-])c1c(NCC2(O)CCC(F)(F)CC2)ccc2c[nH+]ccc21 ZINC000599110288 460164136 /nfs/dbraw/zinc/16/41/36/460164136.db2.gz PAKGNJVTWFKXSL-UHFFFAOYSA-N 1 2 337.326 3.495 10 5 EGBELO CC(C)(CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)n1cc[nH+]c1 ZINC000601198238 460748839 /nfs/dbraw/zinc/74/88/39/460748839.db2.gz SEPHCFWZWVGYHX-UHFFFAOYSA-N 1 2 326.303 3.240 10 5 EGBELO C[C@@H]1C[C@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c2[nH+]ccn21 ZINC000601616651 460848186 /nfs/dbraw/zinc/84/81/86/460848186.db2.gz FNTFTLYWWOMOJT-DOMZBBRYSA-N 1 2 340.383 3.035 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000175175448 528612237 /nfs/dbraw/zinc/61/22/37/528612237.db2.gz UHJUZIRQLCWUJY-INIZCTEOSA-N 1 2 330.388 3.064 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000175175448 528612242 /nfs/dbraw/zinc/61/22/42/528612242.db2.gz UHJUZIRQLCWUJY-INIZCTEOSA-N 1 2 330.388 3.064 10 5 EGBELO C[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000740985322 576643361 /nfs/dbraw/zinc/64/33/61/576643361.db2.gz REJWAHCCLIWFAF-GFCCVEGCSA-N 1 2 346.408 3.146 10 5 EGBELO C[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000740985322 576643362 /nfs/dbraw/zinc/64/33/62/576643362.db2.gz REJWAHCCLIWFAF-GFCCVEGCSA-N 1 2 346.408 3.146 10 5 EGBELO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001123989958 1372650559 /nfs/dbraw/zinc/65/05/59/1372650559.db2.gz FGJDYSFXEMIALO-UHFFFAOYSA-N 1 2 348.790 3.066 10 5 EGBELO Cc1cc(C)c(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)c[nH+]1 ZINC001161802903 1382511599 /nfs/dbraw/zinc/51/15/99/1382511599.db2.gz AITJMFVOENOXGA-UHFFFAOYSA-N 1 2 337.738 3.329 10 5 EGBELO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001308121673 1384096446 /nfs/dbraw/zinc/09/64/46/1384096446.db2.gz KQRMBNSPULAOQB-SECBINFHSA-N 1 2 347.198 3.287 10 5 EGBELO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001308121673 1384096454 /nfs/dbraw/zinc/09/64/54/1384096454.db2.gz KQRMBNSPULAOQB-SECBINFHSA-N 1 2 347.198 3.287 10 5 EGBELO Cc1cn2cc(NC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)ccc2[nH+]1 ZINC001318884216 1385870533 /nfs/dbraw/zinc/87/05/33/1385870533.db2.gz LGZHPKFQKBHFHW-UHFFFAOYSA-N 1 2 337.339 3.099 10 5 EGBELO O=C(NCCC1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001353719294 1392076177 /nfs/dbraw/zinc/07/61/77/1392076177.db2.gz NNLZDBYZSUPQJT-UHFFFAOYSA-N 1 2 342.399 3.481 10 5 EGBELO CCC[N@H+](CCNC(=O)C1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001714650919 1419428342 /nfs/dbraw/zinc/42/83/42/1419428342.db2.gz KHSXXSBMVNUOJW-UHFFFAOYSA-N 1 2 339.461 3.175 10 5 EGBELO CCC[N@@H+](CCNC(=O)C1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001714650919 1419428343 /nfs/dbraw/zinc/42/83/43/1419428343.db2.gz KHSXXSBMVNUOJW-UHFFFAOYSA-N 1 2 339.461 3.175 10 5 EGBELO O=[N+]([O-])c1cc(CN2CCc3c([nH+]cn3-c3ccccc3)C2)cs1 ZINC000351028958 144253159 /nfs/dbraw/zinc/25/31/59/144253159.db2.gz PTRXMYZTIFLTTQ-UHFFFAOYSA-N 1 2 340.408 3.400 10 5 EGBELO Cc1[nH]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)[nH+]c1C ZINC000363861264 144372154 /nfs/dbraw/zinc/37/21/54/144372154.db2.gz QHFZNSZVFTUENJ-UHFFFAOYSA-N 1 2 337.339 3.249 10 5 EGBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115569623 152020324 /nfs/dbraw/zinc/02/03/24/152020324.db2.gz JYZBUNAKHCQXDN-OAHLLOKOSA-N 1 2 345.424 3.284 10 5 EGBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115569623 152020329 /nfs/dbraw/zinc/02/03/29/152020329.db2.gz JYZBUNAKHCQXDN-OAHLLOKOSA-N 1 2 345.424 3.284 10 5 EGBELO CC(C)c1nnc2n1CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]2C ZINC000188445527 153016295 /nfs/dbraw/zinc/01/62/95/153016295.db2.gz MVDUMEOWGBEIKB-OWNNVSBGSA-N 1 2 341.415 3.400 10 5 EGBELO CC(C)c1nnc2n1CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]2C ZINC000188445527 153016297 /nfs/dbraw/zinc/01/62/97/153016297.db2.gz MVDUMEOWGBEIKB-OWNNVSBGSA-N 1 2 341.415 3.400 10 5 EGBELO Cc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000093457703 162011408 /nfs/dbraw/zinc/01/14/08/162011408.db2.gz CGKOTYZDAARKCF-SFHVURJKSA-N 1 2 328.368 3.182 10 5 EGBELO Cc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000093457703 162011410 /nfs/dbraw/zinc/01/14/10/162011410.db2.gz CGKOTYZDAARKCF-SFHVURJKSA-N 1 2 328.368 3.182 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000248413296 163002473 /nfs/dbraw/zinc/00/24/73/163002473.db2.gz FZDBRPDBYOFNFV-KBMXLJTQSA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000248413296 163002476 /nfs/dbraw/zinc/00/24/76/163002476.db2.gz FZDBRPDBYOFNFV-KBMXLJTQSA-N 1 2 340.807 3.017 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccsc1 ZINC000352033227 165200899 /nfs/dbraw/zinc/20/08/99/165200899.db2.gz RJFXLAICEJBERF-OAHLLOKOSA-N 1 2 336.413 3.267 10 5 EGBELO C[NH+](C)Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Cl ZINC000355662396 166277131 /nfs/dbraw/zinc/27/71/31/166277131.db2.gz HQENNJOJMYISAK-UHFFFAOYSA-N 1 2 349.774 3.268 10 5 EGBELO Cc1ccc(-n2c[nH+]c3c2CCN(c2ccc([N+](=O)[O-])nc2)C3)cc1 ZINC000362953140 167867786 /nfs/dbraw/zinc/86/77/86/167867786.db2.gz XSDKZJNZWURQOH-UHFFFAOYSA-N 1 2 335.367 3.047 10 5 EGBELO CC[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000177797068 265278119 /nfs/dbraw/zinc/27/81/19/265278119.db2.gz IDJNEYSYZMCPAF-MRXNPFEDSA-N 1 2 338.367 3.053 10 5 EGBELO Cc1cc(N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)ncc1[N+](=O)[O-] ZINC000275386569 267353166 /nfs/dbraw/zinc/35/31/66/267353166.db2.gz AIHWKGZAPREKKV-OAHLLOKOSA-N 1 2 341.415 3.252 10 5 EGBELO CC(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000377709319 278036069 /nfs/dbraw/zinc/03/60/69/278036069.db2.gz YEFBKIPGNRWEOU-SFHVURJKSA-N 1 2 334.416 3.100 10 5 EGBELO CC(C)c1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000377709319 278036070 /nfs/dbraw/zinc/03/60/70/278036070.db2.gz YEFBKIPGNRWEOU-SFHVURJKSA-N 1 2 334.416 3.100 10 5 EGBELO Cc1cc([NH+](C)C)ccc1Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301891163 308720327 /nfs/dbraw/zinc/72/03/27/308720327.db2.gz OCBJAYCFVMHDMT-UHFFFAOYSA-N 1 2 349.412 3.116 10 5 EGBELO O=[N+]([O-])c1ccc(F)cc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000302827692 308747383 /nfs/dbraw/zinc/74/73/83/308747383.db2.gz BMNHYSQECQRYFF-QGZVFWFLSA-N 1 2 345.374 3.219 10 5 EGBELO O=C(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)NC1CCCCC1 ZINC000413095846 309015836 /nfs/dbraw/zinc/01/58/36/309015836.db2.gz TUDCSSKNZWAMKJ-UHFFFAOYSA-N 1 2 328.372 3.004 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000445248719 309938558 /nfs/dbraw/zinc/93/85/58/309938558.db2.gz KITNEPBGJVIXSP-UHFFFAOYSA-N 1 2 344.758 3.134 10 5 EGBELO COc1cccc([N+](=O)[O-])c1NCCn1c(C)[nH+]c2ccccc21 ZINC000564126101 316115972 /nfs/dbraw/zinc/11/59/72/316115972.db2.gz MDTHGTVUAPXVJB-UHFFFAOYSA-N 1 2 326.356 3.374 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]cc(CCNc3cc[nH+]c4ccncc34)c2c1 ZINC000580855447 325301958 /nfs/dbraw/zinc/30/19/58/325301958.db2.gz PGTMUYVYSHKBJI-UHFFFAOYSA-N 1 2 333.351 3.096 10 5 EGBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173910363 455341023 /nfs/dbraw/zinc/34/10/23/455341023.db2.gz WUPGTJIJOSSAHE-ZDUSSCGKSA-N 1 2 336.351 3.272 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000054610822 453938124 /nfs/dbraw/zinc/93/81/24/453938124.db2.gz RFLAXRSNFLURLF-GFCCVEGCSA-N 1 2 339.355 3.233 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000054610822 453938127 /nfs/dbraw/zinc/93/81/27/453938127.db2.gz RFLAXRSNFLURLF-GFCCVEGCSA-N 1 2 339.355 3.233 10 5 EGBELO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000073050202 454388412 /nfs/dbraw/zinc/38/84/12/454388412.db2.gz ADBLZCUGLMJSIV-HNNXBMFYSA-N 1 2 327.319 3.064 10 5 EGBELO Cc1ccc(C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)C)o1 ZINC000047631014 454392506 /nfs/dbraw/zinc/39/25/06/454392506.db2.gz HEXIEWRGSOBEDG-UHFFFAOYSA-N 1 2 331.372 3.345 10 5 EGBELO Cc1ccc(C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C(C)C)o1 ZINC000047631014 454392512 /nfs/dbraw/zinc/39/25/12/454392512.db2.gz HEXIEWRGSOBEDG-UHFFFAOYSA-N 1 2 331.372 3.345 10 5 EGBELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000162604477 454787459 /nfs/dbraw/zinc/78/74/59/454787459.db2.gz GPSPDLLJGSVHSL-YVEFUNNKSA-N 1 2 337.383 3.462 10 5 EGBELO O=[N+]([O-])c1cc(F)c(Sc2nnc(C[NH+]3CCCC3)o2)c(F)c1 ZINC000170684629 454955960 /nfs/dbraw/zinc/95/59/60/454955960.db2.gz HFBVGSFTFNWRMS-UHFFFAOYSA-N 1 2 342.327 3.003 10 5 EGBELO Cc1cc(N[C@H]2CCC[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000298162861 456378755 /nfs/dbraw/zinc/37/87/55/456378755.db2.gz DQZJHMGWSXZKGP-HIFRSBDPSA-N 1 2 342.399 3.323 10 5 EGBELO O=[N+]([O-])c1ccc(NCc2[nH+]ccn2CCCc2ccccc2)cn1 ZINC000343457106 456633741 /nfs/dbraw/zinc/63/37/41/456633741.db2.gz HJGNWFGICFARIM-UHFFFAOYSA-N 1 2 337.383 3.431 10 5 EGBELO CSc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000362845420 457121048 /nfs/dbraw/zinc/12/10/48/457121048.db2.gz ZXHHVJJWHJMGAK-UHFFFAOYSA-N 1 2 346.412 3.060 10 5 EGBELO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000377171879 458481957 /nfs/dbraw/zinc/48/19/57/458481957.db2.gz MXTKFTIBRNAUQE-UHFFFAOYSA-N 1 2 340.383 3.273 10 5 EGBELO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000547295501 458715724 /nfs/dbraw/zinc/71/57/24/458715724.db2.gz QQBFESPNIIGILX-OAHLLOKOSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000547295501 458715734 /nfs/dbraw/zinc/71/57/34/458715734.db2.gz QQBFESPNIIGILX-OAHLLOKOSA-N 1 2 349.362 3.130 10 5 EGBELO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590178795 459097757 /nfs/dbraw/zinc/09/77/57/459097757.db2.gz BBSJFNOQIWHXLO-JXIYXGQPSA-N 1 2 348.443 3.452 10 5 EGBELO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590178795 459097762 /nfs/dbraw/zinc/09/77/62/459097762.db2.gz BBSJFNOQIWHXLO-JXIYXGQPSA-N 1 2 348.443 3.452 10 5 EGBELO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595435724 459300553 /nfs/dbraw/zinc/30/05/53/459300553.db2.gz UKGRBTHSNJMWLS-OAHLLOKOSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595435724 459300557 /nfs/dbraw/zinc/30/05/57/459300557.db2.gz UKGRBTHSNJMWLS-OAHLLOKOSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1ccc(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592147058 459538140 /nfs/dbraw/zinc/53/81/40/459538140.db2.gz ZLNACGGCNACOLA-UHFFFAOYSA-N 1 2 327.384 3.416 10 5 EGBELO Cc1ccc(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592147058 459538143 /nfs/dbraw/zinc/53/81/43/459538143.db2.gz ZLNACGGCNACOLA-UHFFFAOYSA-N 1 2 327.384 3.416 10 5 EGBELO Cc1cc(NC[C@]2(C)CC2(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596476349 459650379 /nfs/dbraw/zinc/65/03/79/459650379.db2.gz HMTSGTIHAZUFNN-HNNXBMFYSA-N 1 2 334.326 3.239 10 5 EGBELO COc1cc2c(cc1OC)[C@@H](C[N+](=O)[O-])[N@H+](Cc1ccccc1)CC2 ZINC000584606137 459775217 /nfs/dbraw/zinc/77/52/17/459775217.db2.gz GNDPILCPDHSZEJ-QGZVFWFLSA-N 1 2 342.395 3.080 10 5 EGBELO COc1cc2c(cc1OC)[C@@H](C[N+](=O)[O-])[N@@H+](Cc1ccccc1)CC2 ZINC000584606137 459775221 /nfs/dbraw/zinc/77/52/21/459775221.db2.gz GNDPILCPDHSZEJ-QGZVFWFLSA-N 1 2 342.395 3.080 10 5 EGBELO CSc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609623265 459996900 /nfs/dbraw/zinc/99/69/00/459996900.db2.gz ZVPZFHMXZQGCEO-UHFFFAOYSA-N 1 2 328.353 3.217 10 5 EGBELO COC(=O)C1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599039043 460135322 /nfs/dbraw/zinc/13/53/22/460135322.db2.gz HDYNAZUDDOFVFO-UHFFFAOYSA-N 1 2 329.356 3.287 10 5 EGBELO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000599056316 460144359 /nfs/dbraw/zinc/14/43/59/460144359.db2.gz WRWSKPUJIKVMDP-ZANVPECISA-N 1 2 341.289 3.299 10 5 EGBELO O=[N+]([O-])c1c(N[C@H]2CCOC3(CCOCC3)C2)ccc2c[nH+]ccc21 ZINC000599058846 460145365 /nfs/dbraw/zinc/14/53/65/460145365.db2.gz GYEZTCZENABPJO-AWEZNQCLSA-N 1 2 343.383 3.283 10 5 EGBELO O=[N+]([O-])c1c(NC[C@]2(CO)CCc3ccccc32)ccc2c[nH+]ccc21 ZINC000599096891 460161050 /nfs/dbraw/zinc/16/10/50/460161050.db2.gz ZSRBGLNCXUIPML-FQEVSTJZSA-N 1 2 349.390 3.431 10 5 EGBELO Cc1ccc([C@H](C)NC(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000610633099 460202128 /nfs/dbraw/zinc/20/21/28/460202128.db2.gz ZBBVSARLLLTQJP-LBPRGKRZSA-N 1 2 339.355 3.434 10 5 EGBELO Cc1ccc([C@@H](C)NC(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000610633098 460202836 /nfs/dbraw/zinc/20/28/36/460202836.db2.gz ZBBVSARLLLTQJP-GFCCVEGCSA-N 1 2 339.355 3.434 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CC4(C3)CC(F)(F)C4)co2)cc1 ZINC000611180083 460302369 /nfs/dbraw/zinc/30/23/69/460302369.db2.gz RLNKBIITWFNJCC-UHFFFAOYSA-N 1 2 335.310 3.481 10 5 EGBELO O=C(NCC[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600393160 460489003 /nfs/dbraw/zinc/48/90/03/460489003.db2.gz KVZDNWWJNODZAH-AWEZNQCLSA-N 1 2 340.383 3.257 10 5 EGBELO CC(=O)c1c(NCc2cc[nH+]c(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000881786407 1301722180 /nfs/dbraw/zinc/72/21/80/1301722180.db2.gz HYAQOCFZKOCXGC-UHFFFAOYSA-N 1 2 340.383 3.405 10 5 EGBELO CC(C)(COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001123155296 1372389650 /nfs/dbraw/zinc/38/96/50/1372389650.db2.gz XCVNWKPIMROVBG-UHFFFAOYSA-N 1 2 331.372 3.047 10 5 EGBELO Cc1cc(Cl)c(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC001126177576 1372946449 /nfs/dbraw/zinc/94/64/49/1372946449.db2.gz HOIGNNHDHASZGH-UHFFFAOYSA-N 1 2 330.731 3.457 10 5 EGBELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167808280 529750185 /nfs/dbraw/zinc/75/01/85/529750185.db2.gz RPXLTDJVTRPUKR-JSGCOSHPSA-N 1 2 329.404 3.243 10 5 EGBELO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000339065784 296135197 /nfs/dbraw/zinc/13/51/97/296135197.db2.gz HEZPFMGFOXJIQE-CYBMUJFWSA-N 1 2 338.367 3.337 10 5 EGBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000112712448 220383108 /nfs/dbraw/zinc/38/31/08/220383108.db2.gz IMDYSKAILDKDEL-UHFFFAOYSA-N 1 2 343.387 3.042 10 5 EGBELO CCc1ccc([C@H]([NH2+]Cc2ccnn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346483632 141204504 /nfs/dbraw/zinc/20/45/04/141204504.db2.gz IYGRJSXQDGVQAO-GOSISDBHSA-N 1 2 340.383 3.363 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccccc1Cl)CC2 ZINC000353003597 141283466 /nfs/dbraw/zinc/28/34/66/141283466.db2.gz JIMXUARSSBHWMG-UHFFFAOYSA-N 1 2 333.775 3.080 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccccc1Cl)CC2 ZINC000353003597 141283470 /nfs/dbraw/zinc/28/34/70/141283470.db2.gz JIMXUARSSBHWMG-UHFFFAOYSA-N 1 2 333.775 3.080 10 5 EGBELO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1F ZINC000184227468 144089456 /nfs/dbraw/zinc/08/94/56/144089456.db2.gz ZHGIENZATMVMDH-UHFFFAOYSA-N 1 2 345.374 3.065 10 5 EGBELO Cc1c([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000130967270 162385604 /nfs/dbraw/zinc/38/56/04/162385604.db2.gz FPVVQANBXOYOOL-OLZOCXBDSA-N 1 2 329.404 3.243 10 5 EGBELO Cc1c([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000130967677 162385755 /nfs/dbraw/zinc/38/57/55/162385755.db2.gz FPVVQANBXOYOOL-CHWSQXEVSA-N 1 2 329.404 3.243 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000131054581 162388471 /nfs/dbraw/zinc/38/84/71/162388471.db2.gz LHFRRLSAZGFMSC-UHFFFAOYSA-N 1 2 336.779 3.031 10 5 EGBELO COc1cc(NCc2[nH+]ccn2CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000359501463 167173046 /nfs/dbraw/zinc/17/30/46/167173046.db2.gz YOZJDAZYAMZRLI-UHFFFAOYSA-N 1 2 348.256 3.113 10 5 EGBELO Cc1c(NC(=O)NCc2[nH+]ccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000174475997 265052523 /nfs/dbraw/zinc/05/25/23/265052523.db2.gz QHXJOSAGXFDQDD-UHFFFAOYSA-N 1 2 331.376 3.077 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278616690 275259403 /nfs/dbraw/zinc/25/94/03/275259403.db2.gz FSRBCCDWXIIHMJ-WDEREUQCSA-N 1 2 345.321 3.196 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278616690 275259404 /nfs/dbraw/zinc/25/94/04/275259404.db2.gz FSRBCCDWXIIHMJ-WDEREUQCSA-N 1 2 345.321 3.196 10 5 EGBELO CC[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000283002034 275690121 /nfs/dbraw/zinc/69/01/21/275690121.db2.gz FRMDFBBCALUOTH-CQSZACIVSA-N 1 2 349.822 3.345 10 5 EGBELO COc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000268282525 277382097 /nfs/dbraw/zinc/38/20/97/277382097.db2.gz RXKDIKYVVDJSSE-IAQYHMDHSA-N 1 2 334.351 3.027 10 5 EGBELO CN(C)c1[nH+]cccc1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413055071 309013592 /nfs/dbraw/zinc/01/35/92/309013592.db2.gz PTGCRANUSMTIBG-UHFFFAOYSA-N 1 2 341.293 3.082 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413166166 309019221 /nfs/dbraw/zinc/01/92/21/309019221.db2.gz SZIFXZSHSVOVCA-UHFFFAOYSA-N 1 2 343.309 3.473 10 5 EGBELO Cc1cc(N2C[C@H](C)O[C@@H](C)[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000445662319 309945099 /nfs/dbraw/zinc/94/50/99/309945099.db2.gz AAELHGODEKSDFK-MJBXVCDLSA-N 1 2 342.399 3.362 10 5 EGBELO O=C(NCCC1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448651586 310010762 /nfs/dbraw/zinc/01/07/62/310010762.db2.gz QMGZVSQGFYIRBW-UHFFFAOYSA-N 1 2 328.372 3.091 10 5 EGBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450539054 310128802 /nfs/dbraw/zinc/12/88/02/310128802.db2.gz ILEMOMQRDKEIIS-CQSZACIVSA-N 1 2 333.388 3.036 10 5 EGBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000450539054 310128803 /nfs/dbraw/zinc/12/88/03/310128803.db2.gz ILEMOMQRDKEIIS-CQSZACIVSA-N 1 2 333.388 3.036 10 5 EGBELO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2ccccc2)c1 ZINC000453272238 310268379 /nfs/dbraw/zinc/26/83/79/310268379.db2.gz HWFJHUXZCSEPJM-SFHVURJKSA-N 1 2 349.394 3.470 10 5 EGBELO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249307 314034707 /nfs/dbraw/zinc/03/47/07/314034707.db2.gz WLZWSBPNYFFDAF-CQSZACIVSA-N 1 2 345.443 3.038 10 5 EGBELO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249307 314034709 /nfs/dbraw/zinc/03/47/09/314034709.db2.gz WLZWSBPNYFFDAF-CQSZACIVSA-N 1 2 345.443 3.038 10 5 EGBELO O=C(Nc1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000026929402 453808343 /nfs/dbraw/zinc/80/83/43/453808343.db2.gz UOMAZQFKJGTYLG-QGZVFWFLSA-N 1 2 325.368 3.198 10 5 EGBELO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000026929402 453808345 /nfs/dbraw/zinc/80/83/45/453808345.db2.gz UOMAZQFKJGTYLG-QGZVFWFLSA-N 1 2 325.368 3.198 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@H](O)c2ccccc2F)c1 ZINC000058268250 454176038 /nfs/dbraw/zinc/17/60/38/454176038.db2.gz KZDOIJIXWFCIGD-INIZCTEOSA-N 1 2 327.315 3.331 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000058281186 454178380 /nfs/dbraw/zinc/17/83/80/454178380.db2.gz PHBIQKJRQPMOOU-MRXNPFEDSA-N 1 2 327.315 3.331 10 5 EGBELO C[C@H]1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000052218640 454663822 /nfs/dbraw/zinc/66/38/22/454663822.db2.gz AFFOVJDURSPBIH-KBPBESRZSA-N 1 2 342.399 3.216 10 5 EGBELO COc1ccc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000106371383 454692795 /nfs/dbraw/zinc/69/27/95/454692795.db2.gz FKDXNDYGTRWCFT-UHFFFAOYSA-N 1 2 344.415 3.019 10 5 EGBELO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153033535 454754002 /nfs/dbraw/zinc/75/40/02/454754002.db2.gz KQYMXZZOHVORTB-LBPRGKRZSA-N 1 2 343.358 3.119 10 5 EGBELO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153033535 454754005 /nfs/dbraw/zinc/75/40/05/454754005.db2.gz KQYMXZZOHVORTB-LBPRGKRZSA-N 1 2 343.358 3.119 10 5 EGBELO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000125005950 454789867 /nfs/dbraw/zinc/78/98/67/454789867.db2.gz GAIZULGNWOXVLM-NHYWBVRUSA-N 1 2 348.790 3.168 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000126155085 454874464 /nfs/dbraw/zinc/87/44/64/454874464.db2.gz IDZLEOSIVSHUPJ-INIZCTEOSA-N 1 2 334.397 3.109 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000126155085 454874467 /nfs/dbraw/zinc/87/44/67/454874467.db2.gz IDZLEOSIVSHUPJ-INIZCTEOSA-N 1 2 334.397 3.109 10 5 EGBELO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000172092889 455120838 /nfs/dbraw/zinc/12/08/38/455120838.db2.gz DRXFSMQFIIBSLR-GFCCVEGCSA-N 1 2 328.372 3.089 10 5 EGBELO O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)[nH+]c2)c(Cl)c1 ZINC000265524009 455338541 /nfs/dbraw/zinc/33/85/41/455338541.db2.gz MJPPBFMXIAGMHV-UHFFFAOYSA-N 1 2 333.779 3.251 10 5 EGBELO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173932760 455343120 /nfs/dbraw/zinc/34/31/20/455343120.db2.gz MFXNZXRZMCHLGI-ZDUSSCGKSA-N 1 2 336.351 3.272 10 5 EGBELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182091323 455433994 /nfs/dbraw/zinc/43/39/94/455433994.db2.gz YVENHFDDIYMFOJ-HNNXBMFYSA-N 1 2 339.823 3.081 10 5 EGBELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182091323 455433997 /nfs/dbraw/zinc/43/39/97/455433997.db2.gz YVENHFDDIYMFOJ-HNNXBMFYSA-N 1 2 339.823 3.081 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000278160147 455773373 /nfs/dbraw/zinc/77/33/73/455773373.db2.gz PFLDPFVTPMZLHL-NSHDSACASA-N 1 2 348.790 3.300 10 5 EGBELO COc1cc(C[N@@H+]2CCOc3ccc(C)cc3C2)ccc1[N+](=O)[O-] ZINC000352792259 456314007 /nfs/dbraw/zinc/31/40/07/456314007.db2.gz LQJWMLQMAVPXOC-UHFFFAOYSA-N 1 2 328.368 3.306 10 5 EGBELO COc1cc(C[N@H+]2CCOc3ccc(C)cc3C2)ccc1[N+](=O)[O-] 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1 2 330.735 3.276 10 5 EGBELO COc1ccc(F)c(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000350485644 141249125 /nfs/dbraw/zinc/24/91/25/141249125.db2.gz YUQICQGIPLEKJY-UHFFFAOYSA-N 1 2 345.374 3.065 10 5 EGBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000357934629 141361422 /nfs/dbraw/zinc/36/14/22/141361422.db2.gz LBSOEOJODRLDRY-JTQLQIEISA-N 1 2 345.384 3.155 10 5 EGBELO Cc1ccc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)c(C)[nH+]1 ZINC000185169998 144105818 /nfs/dbraw/zinc/10/58/18/144105818.db2.gz ZGQOPZLVVRBJIH-UHFFFAOYSA-N 1 2 334.397 3.030 10 5 EGBELO COC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000351722098 144296395 /nfs/dbraw/zinc/29/63/95/144296395.db2.gz USOKTNSKWYOGSI-INIZCTEOSA-N 1 2 340.301 3.489 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114490836 162236157 /nfs/dbraw/zinc/23/61/57/162236157.db2.gz RMGUBKTYMVDUSD-NSHDSACASA-N 1 2 349.328 3.174 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000338891477 163377867 /nfs/dbraw/zinc/37/78/67/163377867.db2.gz APQZRZXYGZRIEY-UHFFFAOYSA-N 1 2 347.802 3.276 10 5 EGBELO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000346134436 164345545 /nfs/dbraw/zinc/34/55/45/164345545.db2.gz DISNQPPMVFWVIY-UHFFFAOYSA-N 1 2 343.383 3.395 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)c3ccsc3)co2)cc1 ZINC000352033136 165201099 /nfs/dbraw/zinc/20/10/99/165201099.db2.gz QTKQXAMAFWLIPC-OAHLLOKOSA-N 1 2 345.380 3.135 10 5 EGBELO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000359311456 167122517 /nfs/dbraw/zinc/12/25/17/167122517.db2.gz UMFUFPZDZIXOBH-UHFFFAOYSA-N 1 2 341.371 3.005 10 5 EGBELO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000359311456 167122520 /nfs/dbraw/zinc/12/25/20/167122520.db2.gz UMFUFPZDZIXOBH-UHFFFAOYSA-N 1 2 341.371 3.005 10 5 EGBELO Cc1ccc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)cc1[N+](=O)[O-] ZINC000123301745 222253536 /nfs/dbraw/zinc/25/35/36/222253536.db2.gz DJSCOYOTJXSTJS-UHFFFAOYSA-N 1 2 328.416 3.318 10 5 EGBELO COc1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000124086904 222374636 /nfs/dbraw/zinc/37/46/36/222374636.db2.gz GBUIFGHMJAJRIT-GFCCVEGCSA-N 1 2 346.362 3.076 10 5 EGBELO CCOc1cccc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000273820883 267116697 /nfs/dbraw/zinc/11/66/97/267116697.db2.gz CRMDBJTXZFIOAM-UKRRQHHQSA-N 1 2 330.388 3.278 10 5 EGBELO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(F)cc1 ZINC000016632541 275122352 /nfs/dbraw/zinc/12/23/52/275122352.db2.gz SDNDJYPQEHXJIF-UHFFFAOYSA-N 1 2 342.330 3.416 10 5 EGBELO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(F)cc1 ZINC000016632541 275122353 /nfs/dbraw/zinc/12/23/53/275122353.db2.gz SDNDJYPQEHXJIF-UHFFFAOYSA-N 1 2 342.330 3.416 10 5 EGBELO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072897212 275151949 /nfs/dbraw/zinc/15/19/49/275151949.db2.gz ZKAADDICEQAJHL-GHMZBOCLSA-N 1 2 325.796 3.307 10 5 EGBELO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072897212 275151950 /nfs/dbraw/zinc/15/19/50/275151950.db2.gz ZKAADDICEQAJHL-GHMZBOCLSA-N 1 2 325.796 3.307 10 5 EGBELO CC(=O)c1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000287718322 276150560 /nfs/dbraw/zinc/15/05/60/276150560.db2.gz FENCVKZXSGSHQG-SJKOYZFVSA-N 1 2 328.372 3.081 10 5 EGBELO COC(=O)c1cc(NCCc2[nH+]cccc2C)cc(C)c1[N+](=O)[O-] ZINC000295702115 308352019 /nfs/dbraw/zinc/35/20/19/308352019.db2.gz JJABUURYTZUOFO-UHFFFAOYSA-N 1 2 329.356 3.048 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000301631645 308708218 /nfs/dbraw/zinc/70/82/18/308708218.db2.gz JEWPYNCQSSEKAA-XHDPSFHLSA-N 1 2 334.351 3.027 10 5 EGBELO C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414908882 309108609 /nfs/dbraw/zinc/10/86/09/309108609.db2.gz BMQLRDPNSFNOAP-DOMZBBRYSA-N 1 2 331.441 3.411 10 5 EGBELO O=[N+]([O-])c1cc(F)c(NCc2[nH+]ccn2CC(F)(F)F)c(F)c1 ZINC000440597791 309852553 /nfs/dbraw/zinc/85/25/53/309852553.db2.gz UVVHKVPGSFWDBJ-UHFFFAOYSA-N 1 2 336.220 3.244 10 5 EGBELO C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449863250 310091334 /nfs/dbraw/zinc/09/13/34/310091334.db2.gz DUTKVQFNTNAZPL-CYBMUJFWSA-N 1 2 328.372 3.185 10 5 EGBELO CC(C)[N@H+](Cc1cn(CC2CC2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000450281075 310112749 /nfs/dbraw/zinc/11/27/49/310112749.db2.gz AUACUCNCTFQTSH-UHFFFAOYSA-N 1 2 329.404 3.007 10 5 EGBELO CC(C)[N@@H+](Cc1cn(CC2CC2)nn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000450281075 310112750 /nfs/dbraw/zinc/11/27/50/310112750.db2.gz AUACUCNCTFQTSH-UHFFFAOYSA-N 1 2 329.404 3.007 10 5 EGBELO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000456141554 310390413 /nfs/dbraw/zinc/39/04/13/310390413.db2.gz GFOLMLFYDRXNBI-UHFFFAOYSA-N 1 2 328.372 3.089 10 5 EGBELO Cc1cc(N2CCS[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000171608221 323242432 /nfs/dbraw/zinc/24/24/32/323242432.db2.gz ASDVHNLTIJLDAH-LBPRGKRZSA-N 1 2 330.413 3.302 10 5 EGBELO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1F ZINC000130195900 454180223 /nfs/dbraw/zinc/18/02/23/454180223.db2.gz WQOZTIRXIKZHPM-UHFFFAOYSA-N 1 2 343.358 3.337 10 5 EGBELO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1ccccc1F ZINC000130195900 454180225 /nfs/dbraw/zinc/18/02/25/454180225.db2.gz WQOZTIRXIKZHPM-UHFFFAOYSA-N 1 2 343.358 3.337 10 5 EGBELO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000097162537 454419792 /nfs/dbraw/zinc/41/97/92/454419792.db2.gz GIKBJKBKEPCSNR-XHDPSFHLSA-N 1 2 348.790 3.168 10 5 EGBELO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000092094488 454519771 /nfs/dbraw/zinc/51/97/71/454519771.db2.gz XRADQWIYNIKYLW-RDTXWAMCSA-N 1 2 348.349 3.489 10 5 EGBELO Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000092094488 454519776 /nfs/dbraw/zinc/51/97/76/454519776.db2.gz XRADQWIYNIKYLW-RDTXWAMCSA-N 1 2 348.349 3.489 10 5 EGBELO O=[N+]([O-])c1cccc2c1CCN(Cc1cn3cc(Cl)ccc3[nH+]1)C2 ZINC000153250629 454774791 /nfs/dbraw/zinc/77/47/91/454774791.db2.gz KEMDTJAGHYLRCG-UHFFFAOYSA-N 1 2 342.786 3.454 10 5 EGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126234005 454879512 /nfs/dbraw/zinc/87/95/12/454879512.db2.gz LOFQYSPGMSYJGZ-INIZCTEOSA-N 1 2 334.397 3.109 10 5 EGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126234005 454879516 /nfs/dbraw/zinc/87/95/16/454879516.db2.gz LOFQYSPGMSYJGZ-INIZCTEOSA-N 1 2 334.397 3.109 10 5 EGBELO CCO[C@@H](C)c1noc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181557835 455355340 /nfs/dbraw/zinc/35/53/40/455355340.db2.gz OHGUSFKFSAVIQE-SMDDNHRTSA-N 1 2 334.376 3.316 10 5 EGBELO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266948359 455481667 /nfs/dbraw/zinc/48/16/67/455481667.db2.gz FTZWUBBHFQGFQH-UHFFFAOYSA-N 1 2 349.778 3.383 10 5 EGBELO O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC(F)F ZINC000271436009 455635866 /nfs/dbraw/zinc/63/58/66/455635866.db2.gz WWNQQMYDALLZNI-GFCCVEGCSA-N 1 2 338.314 3.062 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(N4CCCC4)[nH+]c3)nc2c1 ZINC000277983609 455727044 /nfs/dbraw/zinc/72/70/44/455727044.db2.gz YNQUFMZFZARMRY-UHFFFAOYSA-N 1 2 338.371 3.078 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccc(Cl)cc1)CC2 ZINC000352997951 456437127 /nfs/dbraw/zinc/43/71/27/456437127.db2.gz PMDDPJIFNLBPCN-UHFFFAOYSA-N 1 2 333.775 3.080 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccc(Cl)cc1)CC2 ZINC000352997951 456437134 /nfs/dbraw/zinc/43/71/34/456437134.db2.gz PMDDPJIFNLBPCN-UHFFFAOYSA-N 1 2 333.775 3.080 10 5 EGBELO CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)s2)c[nH+]1 ZINC000298795780 456542806 /nfs/dbraw/zinc/54/28/06/456542806.db2.gz HATWBPIAZAXKJG-UHFFFAOYSA-N 1 2 348.428 3.136 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348230285 456552354 /nfs/dbraw/zinc/55/23/54/456552354.db2.gz NJDNSVDWRMXCCM-CWSCBRNRSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348230285 456552358 /nfs/dbraw/zinc/55/23/58/456552358.db2.gz NJDNSVDWRMXCCM-CWSCBRNRSA-N 1 2 345.321 3.195 10 5 EGBELO CCn1cnnc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352555234 457463363 /nfs/dbraw/zinc/46/33/63/457463363.db2.gz KRIJKRWZXQAMTC-SFHVURJKSA-N 1 2 337.383 3.085 10 5 EGBELO COc1c(O)cccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000352695361 457537658 /nfs/dbraw/zinc/53/76/58/457537658.db2.gz YWNHLXBPAMJPHO-UHFFFAOYSA-N 1 2 328.368 3.474 10 5 EGBELO COc1c(O)cccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000352695361 457537666 /nfs/dbraw/zinc/53/76/66/457537666.db2.gz YWNHLXBPAMJPHO-UHFFFAOYSA-N 1 2 328.368 3.474 10 5 EGBELO CC1=C(c2ccco2)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000374511544 457644945 /nfs/dbraw/zinc/64/49/45/457644945.db2.gz CBKNSLSOGDPGAO-UHFFFAOYSA-N 1 2 341.367 3.306 10 5 EGBELO CC1=C(c2ccco2)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000374511544 457644947 /nfs/dbraw/zinc/64/49/47/457644947.db2.gz CBKNSLSOGDPGAO-UHFFFAOYSA-N 1 2 341.367 3.306 10 5 EGBELO Cc1c(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cccc1[N+](=O)[O-] ZINC000364775923 457691040 /nfs/dbraw/zinc/69/10/40/457691040.db2.gz YXGCMIXVGZCKDU-GFCCVEGCSA-N 1 2 342.399 3.493 10 5 EGBELO Cc1c(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000364775923 457691044 /nfs/dbraw/zinc/69/10/44/457691044.db2.gz YXGCMIXVGZCKDU-GFCCVEGCSA-N 1 2 342.399 3.493 10 5 EGBELO Cc1cc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc[nH+]1 ZINC000444828296 457986399 /nfs/dbraw/zinc/98/63/99/457986399.db2.gz MCQWQLCWZDHGLJ-UHFFFAOYSA-N 1 2 329.359 3.059 10 5 EGBELO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000376092234 458192158 /nfs/dbraw/zinc/19/21/58/458192158.db2.gz FCVVIWGOROYXIZ-UHFFFAOYSA-N 1 2 348.790 3.082 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1NCc1cn3cc(Cl)ccc3[nH+]1)CCN2 ZINC000430512613 458456002 /nfs/dbraw/zinc/45/60/02/458456002.db2.gz UKERVXOVWFGJBE-UHFFFAOYSA-N 1 2 343.774 3.476 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470933329 458666045 /nfs/dbraw/zinc/66/60/45/458666045.db2.gz RGMABJPRDAWWFY-PWSUYJOCSA-N 1 2 345.321 3.114 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470933329 458666051 /nfs/dbraw/zinc/66/60/51/458666051.db2.gz RGMABJPRDAWWFY-PWSUYJOCSA-N 1 2 345.321 3.114 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccco2)CC1 ZINC000595616169 459370285 /nfs/dbraw/zinc/37/02/85/459370285.db2.gz POVISUCAGRLAOL-ZDUSSCGKSA-N 1 2 343.383 3.394 10 5 EGBELO Cc1c(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484534627 459419144 /nfs/dbraw/zinc/41/91/44/459419144.db2.gz CPEOOZKJNFGPBA-GOSISDBHSA-N 1 2 342.395 3.183 10 5 EGBELO Cc1c(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000484534627 459419149 /nfs/dbraw/zinc/41/91/49/459419149.db2.gz CPEOOZKJNFGPBA-GOSISDBHSA-N 1 2 342.395 3.183 10 5 EGBELO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595889968 459476576 /nfs/dbraw/zinc/47/65/76/459476576.db2.gz JZJYXDSUAGYFQI-NEPJUHHUSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H](CC(F)(F)F)O1 ZINC000595889968 459476581 /nfs/dbraw/zinc/47/65/81/459476581.db2.gz JZJYXDSUAGYFQI-NEPJUHHUSA-N 1 2 348.321 3.015 10 5 EGBELO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919684 459487583 /nfs/dbraw/zinc/48/75/83/459487583.db2.gz RCRPPTTWAUUBGF-ZBEGNZNMSA-N 1 2 344.358 3.238 10 5 EGBELO CCOc1cc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919684 459487588 /nfs/dbraw/zinc/48/75/88/459487588.db2.gz RCRPPTTWAUUBGF-ZBEGNZNMSA-N 1 2 344.358 3.238 10 5 EGBELO COc1cc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000596596950 459691578 /nfs/dbraw/zinc/69/15/78/459691578.db2.gz GYBLKVLQWPXFHL-UHFFFAOYSA-N 1 2 348.378 3.050 10 5 EGBELO COc1cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000596596950 459691583 /nfs/dbraw/zinc/69/15/83/459691583.db2.gz GYBLKVLQWPXFHL-UHFFFAOYSA-N 1 2 348.378 3.050 10 5 EGBELO CSc1cccc(C(=O)Nc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000614410797 460133116 /nfs/dbraw/zinc/13/31/16/460133116.db2.gz KQEMQDSEQBGMRG-UHFFFAOYSA-N 1 2 328.353 3.217 10 5 EGBELO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc(CO)ccc2F)C2CC2)c1 ZINC000599311942 460226801 /nfs/dbraw/zinc/22/68/01/460226801.db2.gz NORPODKPHNLCFG-UHFFFAOYSA-N 1 2 330.359 3.391 10 5 EGBELO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc(CO)ccc2F)C2CC2)c1 ZINC000599311942 460226804 /nfs/dbraw/zinc/22/68/04/460226804.db2.gz NORPODKPHNLCFG-UHFFFAOYSA-N 1 2 330.359 3.391 10 5 EGBELO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599675110 460305912 /nfs/dbraw/zinc/30/59/12/460305912.db2.gz NQUYQDMRWVBEEM-ZBEGNZNMSA-N 1 2 337.807 3.451 10 5 EGBELO C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599675110 460305917 /nfs/dbraw/zinc/30/59/17/460305917.db2.gz NQUYQDMRWVBEEM-ZBEGNZNMSA-N 1 2 337.807 3.451 10 5 EGBELO CCOC(=O)c1nc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000611403974 460356280 /nfs/dbraw/zinc/35/62/80/460356280.db2.gz MJZKZRGSOUFGSH-AWEZNQCLSA-N 1 2 349.412 3.469 10 5 EGBELO CC(C)(C)c1csc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)n1 ZINC000601150294 460733612 /nfs/dbraw/zinc/73/36/12/460733612.db2.gz UZMUPUKDYLKBAA-KRWDZBQOSA-N 1 2 349.456 3.346 10 5 EGBELO O=C(NC1CCC2(CC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000433998570 547899185 /nfs/dbraw/zinc/89/91/85/547899185.db2.gz GZPNQKNJUZNJNJ-UHFFFAOYSA-N 1 2 340.383 3.233 10 5 EGBELO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@]23CCCOC3)c(F)c1 ZINC001198827452 1369123559 /nfs/dbraw/zinc/12/35/59/1369123559.db2.gz CPILPVWQEWQZPY-MRXNPFEDSA-N 1 2 326.343 3.408 10 5 EGBELO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@]23CCCOC3)c(F)c1 ZINC001198827452 1369123562 /nfs/dbraw/zinc/12/35/62/1369123562.db2.gz CPILPVWQEWQZPY-MRXNPFEDSA-N 1 2 326.343 3.408 10 5 EGBELO Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)c3ccccc3[N+](=O)[O-])ccn12 ZINC001134502180 1376571925 /nfs/dbraw/zinc/57/19/25/1376571925.db2.gz TXVMACGLPGJLAV-GFCCVEGCSA-N 1 2 338.367 3.084 10 5 EGBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001136458676 1377394908 /nfs/dbraw/zinc/39/49/08/1377394908.db2.gz QCOAOUDHOLMGLI-UHFFFAOYSA-N 1 2 340.314 3.305 10 5 EGBELO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)n1 ZINC001306837862 1383909547 /nfs/dbraw/zinc/90/95/47/1383909547.db2.gz VUZAQNLRWAMJRI-UHFFFAOYSA-N 1 2 337.339 3.249 10 5 EGBELO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC(n2cc[nH+]c2)C1 ZINC001306992129 1383931010 /nfs/dbraw/zinc/93/10/10/1383931010.db2.gz UUJYVYMPHUYAAT-UHFFFAOYSA-N 1 2 329.747 3.054 10 5 EGBELO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC001307926371 1384058705 /nfs/dbraw/zinc/05/87/05/1384058705.db2.gz RZMOIXKVZUEQCJ-ZDUSSCGKSA-N 1 2 338.404 3.026 10 5 EGBELO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC001307926371 1384058707 /nfs/dbraw/zinc/05/87/07/1384058707.db2.gz RZMOIXKVZUEQCJ-ZDUSSCGKSA-N 1 2 338.404 3.026 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000183348389 235021035 /nfs/dbraw/zinc/02/10/35/235021035.db2.gz FTKANXIYYAYFAN-MRXNPFEDSA-N 1 2 340.427 3.177 10 5 EGBELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000130925319 162384015 /nfs/dbraw/zinc/38/40/15/162384015.db2.gz BPRCFHINNGQYNS-CHWSQXEVSA-N 1 2 329.404 3.243 10 5 EGBELO CC[C@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000342265979 163829338 /nfs/dbraw/zinc/82/93/38/163829338.db2.gz LVEOFPVVGUYSNX-NSHDSACASA-N 1 2 344.293 3.324 10 5 EGBELO COc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000359887286 167258811 /nfs/dbraw/zinc/25/88/11/167258811.db2.gz VLULEHKHPRMNFI-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO COc1cccc2c1CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000359887286 167258812 /nfs/dbraw/zinc/25/88/12/167258812.db2.gz VLULEHKHPRMNFI-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO CCOc1cccc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000273820890 267116518 /nfs/dbraw/zinc/11/65/18/267116518.db2.gz CRMDBJTXZFIOAM-ZFWWWQNUSA-N 1 2 330.388 3.278 10 5 EGBELO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000359900357 279003965 /nfs/dbraw/zinc/00/39/65/279003965.db2.gz PEDNCULIBUCILQ-UHFFFAOYSA-N 1 2 326.278 3.139 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000340775461 280398354 /nfs/dbraw/zinc/39/83/54/280398354.db2.gz IDRYTPVWQAOMGI-UHFFFAOYSA-N 1 2 343.431 3.500 10 5 EGBELO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000450535388 310128756 /nfs/dbraw/zinc/12/87/56/310128756.db2.gz MRPUXHBPHOWNIR-HDJSIYSDSA-N 1 2 344.419 3.350 10 5 EGBELO O=C(NC1CCC2(CC2)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451187578 310164834 /nfs/dbraw/zinc/16/48/34/310164834.db2.gz GKETUJIXYSJDFX-UHFFFAOYSA-N 1 2 340.383 3.233 10 5 EGBELO O=[N+]([O-])c1ccc2oc(C[NH+]3CCN(c4ccccc4)CC3)nc2c1 ZINC000083127007 453939228 /nfs/dbraw/zinc/93/92/28/453939228.db2.gz MOUZEEGQCGPHLS-UHFFFAOYSA-N 1 2 338.367 3.058 10 5 EGBELO Cc1cc(NCC(C)(C)CCO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078678486 454298250 /nfs/dbraw/zinc/29/82/50/454298250.db2.gz PZVZQFHZQRJBFU-UHFFFAOYSA-N 1 2 330.388 3.181 10 5 EGBELO O=C(c1ccn2cc[nH+]c2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135186522 454643337 /nfs/dbraw/zinc/64/33/37/454643337.db2.gz DIVWWQNTLOCEFA-UHFFFAOYSA-N 1 2 336.351 3.047 10 5 EGBELO COc1cc2c[nH+]cc(Cc3ccc([N+](=O)[O-])c(O)c3)c2cc1OC ZINC000148611021 454871389 /nfs/dbraw/zinc/87/13/89/454871389.db2.gz WPXQLTFSPJYWOX-UHFFFAOYSA-N 1 2 340.335 3.457 10 5 EGBELO Cc1csc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000170790540 454978087 /nfs/dbraw/zinc/97/80/87/454978087.db2.gz KCIDQILLGRZFEO-JTQLQIEISA-N 1 2 335.385 3.077 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)cc1 ZINC000346576269 457054645 /nfs/dbraw/zinc/05/46/45/457054645.db2.gz UQDFTHGGZFIITH-SFHVURJKSA-N 1 2 338.342 3.403 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cc1 ZINC000356605513 457080141 /nfs/dbraw/zinc/08/01/41/457080141.db2.gz UVOPZAXLDPIJSJ-UHFFFAOYSA-N 1 2 333.307 3.498 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000347156029 457260224 /nfs/dbraw/zinc/26/02/24/457260224.db2.gz MXMMVTWHIFCPQI-UHFFFAOYSA-N 1 2 345.403 3.301 10 5 EGBELO CO[C@@H](C)c1noc(C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000347375966 457385746 /nfs/dbraw/zinc/38/57/46/457385746.db2.gz SPPLBZMUGHFQNH-RPHSKFLZSA-N 1 2 346.387 3.221 10 5 EGBELO CO[C@@H](C)c1noc(C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000347375966 457385757 /nfs/dbraw/zinc/38/57/57/457385757.db2.gz SPPLBZMUGHFQNH-RPHSKFLZSA-N 1 2 346.387 3.221 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000352553296 457461714 /nfs/dbraw/zinc/46/17/14/457461714.db2.gz BFWHKKJIYLSFLC-OAHLLOKOSA-N 1 2 334.397 3.238 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000352553296 457461717 /nfs/dbraw/zinc/46/17/17/457461717.db2.gz BFWHKKJIYLSFLC-OAHLLOKOSA-N 1 2 334.397 3.238 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)nc2c1 ZINC000444712912 457952921 /nfs/dbraw/zinc/95/29/21/457952921.db2.gz ZWPZPXADMYBJSA-SECBINFHSA-N 1 2 328.294 3.245 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@H](CC(F)(F)F)C3)nc2c1 ZINC000444712912 457952928 /nfs/dbraw/zinc/95/29/28/457952928.db2.gz ZWPZPXADMYBJSA-SECBINFHSA-N 1 2 328.294 3.245 10 5 EGBELO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000444793173 457978544 /nfs/dbraw/zinc/97/85/44/457978544.db2.gz RHMMIQAQQIBMHQ-OAHLLOKOSA-N 1 2 326.418 3.354 10 5 EGBELO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000444793173 457978551 /nfs/dbraw/zinc/97/85/51/457978551.db2.gz RHMMIQAQQIBMHQ-OAHLLOKOSA-N 1 2 326.418 3.354 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc(-c4ccccc4)[nH]3)nc2c1 ZINC000446842697 458236050 /nfs/dbraw/zinc/23/60/50/458236050.db2.gz HHKFOQJNXCFDFH-UHFFFAOYSA-N 1 2 348.366 3.151 10 5 EGBELO COC(=O)c1sccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429263574 458302180 /nfs/dbraw/zinc/30/21/80/458302180.db2.gz JSNDTRZEGMRMKS-UHFFFAOYSA-N 1 2 334.397 3.468 10 5 EGBELO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377821790 458541539 /nfs/dbraw/zinc/54/15/39/458541539.db2.gz RVUNHGCXTPRMBW-UHFFFAOYSA-N 1 2 349.778 3.383 10 5 EGBELO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377821790 458541548 /nfs/dbraw/zinc/54/15/48/458541548.db2.gz RVUNHGCXTPRMBW-UHFFFAOYSA-N 1 2 349.778 3.383 10 5 EGBELO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncnn21 ZINC000594956645 459191951 /nfs/dbraw/zinc/19/19/51/459191951.db2.gz KJZGQLLCSBGQNK-IAQYHMDHSA-N 1 2 339.355 3.242 10 5 EGBELO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncnn21 ZINC000594956648 459192461 /nfs/dbraw/zinc/19/24/61/459192461.db2.gz KJZGQLLCSBGQNK-XHDPSFHLSA-N 1 2 339.355 3.242 10 5 EGBELO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595607192 459363658 /nfs/dbraw/zinc/36/36/58/459363658.db2.gz UNSFKTTYXDJVJP-LBPRGKRZSA-N 1 2 338.404 3.156 10 5 EGBELO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000595607192 459363663 /nfs/dbraw/zinc/36/36/63/459363663.db2.gz UNSFKTTYXDJVJP-LBPRGKRZSA-N 1 2 338.404 3.156 10 5 EGBELO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@](C)(C(F)F)O1 ZINC000596572645 459682112 /nfs/dbraw/zinc/68/21/12/459682112.db2.gz OFERZRJLUQMJFS-QLJPJBMISA-N 1 2 337.326 3.392 10 5 EGBELO Cc1ccc(OCCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1C ZINC000544444950 459761786 /nfs/dbraw/zinc/76/17/86/459761786.db2.gz TXXPBAQWSPCBPC-UHFFFAOYSA-N 1 2 341.411 3.434 10 5 EGBELO Cc1ccc(OCCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1C ZINC000544444950 459761788 /nfs/dbraw/zinc/76/17/88/459761788.db2.gz TXXPBAQWSPCBPC-UHFFFAOYSA-N 1 2 341.411 3.434 10 5 EGBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618947 459996126 /nfs/dbraw/zinc/99/61/26/459996126.db2.gz MFCGYXMZLWADRE-NSHDSACASA-N 1 2 342.380 3.362 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000618449181 460014142 /nfs/dbraw/zinc/01/41/42/460014142.db2.gz NSBAGXLORUMNHW-ZDUSSCGKSA-N 1 2 348.790 3.230 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578387 460408532 /nfs/dbraw/zinc/40/85/32/460408532.db2.gz CDRQIWGLNIIFIO-CYBMUJFWSA-N 1 2 330.331 3.197 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578387 460408536 /nfs/dbraw/zinc/40/85/36/460408536.db2.gz CDRQIWGLNIIFIO-CYBMUJFWSA-N 1 2 330.331 3.197 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182113427 527953656 /nfs/dbraw/zinc/95/36/56/527953656.db2.gz KNDAPSRIALOQQK-ZDUSSCGKSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182113427 527953662 /nfs/dbraw/zinc/95/36/62/527953662.db2.gz KNDAPSRIALOQQK-ZDUSSCGKSA-N 1 2 339.823 3.129 10 5 EGBELO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981141 1328646835 /nfs/dbraw/zinc/64/68/35/1328646835.db2.gz AICBXYKILCCLCI-CYBMUJFWSA-N 1 2 346.412 3.167 10 5 EGBELO CC[C@](O)(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000930059865 1328775612 /nfs/dbraw/zinc/77/56/12/1328775612.db2.gz DHMQEIRMIPYHJD-AWEZNQCLSA-N 1 2 332.322 3.263 10 5 EGBELO CC[C@](O)(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000930059865 1328775614 /nfs/dbraw/zinc/77/56/14/1328775614.db2.gz DHMQEIRMIPYHJD-AWEZNQCLSA-N 1 2 332.322 3.263 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001197041114 1368735153 /nfs/dbraw/zinc/73/51/53/1368735153.db2.gz IIMFLSFDOCLWJB-UHFFFAOYSA-N 1 2 345.374 3.065 10 5 EGBELO CCC[C@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001132996093 1375701750 /nfs/dbraw/zinc/70/17/50/1375701750.db2.gz YQUVIZRWVOQEIM-ZDUSSCGKSA-N 1 2 330.388 3.337 10 5 EGBELO O=C(NCCC[C@@H]1C=CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001133081394 1375763486 /nfs/dbraw/zinc/76/34/86/1375763486.db2.gz AADCMGCHELTYSH-CQSZACIVSA-N 1 2 340.383 3.257 10 5 EGBELO CC[N@H+](CCNC(=O)c1cccc(C)c1)Cc1csc([N+](=O)[O-])c1 ZINC001266375206 1377299878 /nfs/dbraw/zinc/29/98/78/1377299878.db2.gz LPQVYYVKMMOVLM-UHFFFAOYSA-N 1 2 347.440 3.217 10 5 EGBELO CC[N@@H+](CCNC(=O)c1cccc(C)c1)Cc1csc([N+](=O)[O-])c1 ZINC001266375206 1377299882 /nfs/dbraw/zinc/29/98/82/1377299882.db2.gz LPQVYYVKMMOVLM-UHFFFAOYSA-N 1 2 347.440 3.217 10 5 EGBELO C[C@@H](CC1CCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001287415309 1381199804 /nfs/dbraw/zinc/19/98/04/1381199804.db2.gz YONQQILBIITFSY-LBPRGKRZSA-N 1 2 328.372 3.089 10 5 EGBELO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC001328429530 1388743866 /nfs/dbraw/zinc/74/38/66/1388743866.db2.gz OVEAJPPAKYMJTR-MNOVXSKESA-N 1 2 343.221 3.357 10 5 EGBELO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC001328429530 1388743868 /nfs/dbraw/zinc/74/38/68/1388743868.db2.gz OVEAJPPAKYMJTR-MNOVXSKESA-N 1 2 343.221 3.357 10 5 EGBELO Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)c([N+](=O)[O-])s1 ZINC001307086371 1383938213 /nfs/dbraw/zinc/93/82/13/1383938213.db2.gz XGKIANXSHUXTSH-UHFFFAOYSA-N 1 2 335.404 3.426 10 5 EGBELO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)c2cc(F)ccc2F)ccc1Cl ZINC001176927117 1385745310 /nfs/dbraw/zinc/74/53/10/1385745310.db2.gz NGURWPGLCUPDHU-CQSZACIVSA-N 1 2 342.729 3.350 10 5 EGBELO CSc1ccc([N+](=O)[O-])c(C(=O)OCC(C)(C)n2cc[nH+]c2)c1 ZINC001344107752 1390756050 /nfs/dbraw/zinc/75/60/50/1390756050.db2.gz PJOQKRIHLFTIML-UHFFFAOYSA-N 1 2 335.385 3.105 10 5 EGBELO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001347488997 1391082877 /nfs/dbraw/zinc/08/28/77/1391082877.db2.gz XTBVUMCZOXBSFF-UHFFFAOYSA-N 1 2 348.790 3.066 10 5 EGBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001349025574 1391297548 /nfs/dbraw/zinc/29/75/48/1391297548.db2.gz YHTATNOCMCEEGU-UHFFFAOYSA-N 1 2 349.412 3.495 10 5 EGBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000191333718 239048866 /nfs/dbraw/zinc/04/88/66/239048866.db2.gz DUXOLTJUQCHBBK-CQSZACIVSA-N 1 2 343.387 3.105 10 5 EGBELO C[NH+](C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000361659444 144345345 /nfs/dbraw/zinc/34/53/45/144345345.db2.gz HOZLGLNKGZNQMZ-HNNXBMFYSA-N 1 2 349.774 3.195 10 5 EGBELO Cc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000363824622 144368907 /nfs/dbraw/zinc/36/89/07/144368907.db2.gz RBQZEFKBXHENPE-UHFFFAOYSA-N 1 2 329.360 3.038 10 5 EGBELO Cc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000363824622 144368909 /nfs/dbraw/zinc/36/89/09/144368909.db2.gz RBQZEFKBXHENPE-UHFFFAOYSA-N 1 2 329.360 3.038 10 5 EGBELO CC(C)c1nnc2n1CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000188445504 153016754 /nfs/dbraw/zinc/01/67/54/153016754.db2.gz MVDUMEOWGBEIKB-IZPAUZPXSA-N 1 2 341.415 3.400 10 5 EGBELO CC(C)c1nnc2n1CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]2C ZINC000188445504 153016759 /nfs/dbraw/zinc/01/67/59/153016759.db2.gz MVDUMEOWGBEIKB-IZPAUZPXSA-N 1 2 341.415 3.400 10 5 EGBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346953841 156212346 /nfs/dbraw/zinc/21/23/46/156212346.db2.gz ZZXLBUWOEDKYHX-CYBMUJFWSA-N 1 2 341.371 3.038 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000130110502 281259855 /nfs/dbraw/zinc/25/98/55/281259855.db2.gz GPQUPKWYXASWQN-UHFFFAOYSA-N 1 2 346.818 3.274 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000294899383 308269266 /nfs/dbraw/zinc/26/92/66/308269266.db2.gz YZXBGKWUOXKSHI-UHFFFAOYSA-N 1 2 341.411 3.348 10 5 EGBELO Cn1c(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)nnc1C1CCC1 ZINC000413240149 309023115 /nfs/dbraw/zinc/02/31/15/309023115.db2.gz UOGPFYIEEMAIMV-UHFFFAOYSA-N 1 2 338.371 3.151 10 5 EGBELO NC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451855459 310200512 /nfs/dbraw/zinc/20/05/12/310200512.db2.gz OTJLCTIRCYNOFR-MRXNPFEDSA-N 1 2 341.367 3.014 10 5 EGBELO NC(=O)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451855459 310200513 /nfs/dbraw/zinc/20/05/13/310200513.db2.gz OTJLCTIRCYNOFR-MRXNPFEDSA-N 1 2 341.367 3.014 10 5 EGBELO Cc1[nH+]c2ccccc2n1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487901736 311042027 /nfs/dbraw/zinc/04/20/27/311042027.db2.gz YRJLKBQLTBCIHK-UHFFFAOYSA-N 1 2 347.378 3.335 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000572756206 317387789 /nfs/dbraw/zinc/38/77/89/317387789.db2.gz KTAPVTVYWDGYGW-UHFFFAOYSA-N 1 2 329.404 3.333 10 5 EGBELO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172021575 323266271 /nfs/dbraw/zinc/26/62/71/323266271.db2.gz JNLLIBRJSGGTNR-CQSZACIVSA-N 1 2 339.823 3.081 10 5 EGBELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172021575 323266273 /nfs/dbraw/zinc/26/62/73/323266273.db2.gz JNLLIBRJSGGTNR-CQSZACIVSA-N 1 2 339.823 3.081 10 5 EGBELO Cc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000057868816 454153178 /nfs/dbraw/zinc/15/31/78/454153178.db2.gz XEBRJHXVVHNYKN-UHFFFAOYSA-N 1 2 328.328 3.178 10 5 EGBELO Cc1ccc(C[N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000057868816 454153181 /nfs/dbraw/zinc/15/31/81/454153181.db2.gz XEBRJHXVVHNYKN-UHFFFAOYSA-N 1 2 328.328 3.178 10 5 EGBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000097162536 454419349 /nfs/dbraw/zinc/41/93/49/454419349.db2.gz GIKBJKBKEPCSNR-IAQYHMDHSA-N 1 2 348.790 3.168 10 5 EGBELO CC(C)c1ccc(C[NH+]2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000092586628 454591279 /nfs/dbraw/zinc/59/12/79/454591279.db2.gz CANMYUXFGWXNGD-UHFFFAOYSA-N 1 2 327.375 3.101 10 5 EGBELO COc1ccc([C@@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000092783117 454631141 /nfs/dbraw/zinc/63/11/41/454631141.db2.gz CFLTYHOXIKLXMU-CQSZACIVSA-N 1 2 328.368 3.299 10 5 EGBELO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000092783117 454631145 /nfs/dbraw/zinc/63/11/45/454631145.db2.gz CFLTYHOXIKLXMU-CQSZACIVSA-N 1 2 328.368 3.299 10 5 EGBELO Cc1c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000127382507 454959908 /nfs/dbraw/zinc/95/99/08/454959908.db2.gz DTJSSHUOCMDULY-BLLLJJGKSA-N 1 2 343.387 3.215 10 5 EGBELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000161083873 455531166 /nfs/dbraw/zinc/53/11/66/455531166.db2.gz PMFXMYDLAFISSZ-GXFFZTMASA-N 1 2 334.401 3.119 10 5 EGBELO COc1cc(NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])cc1F ZINC000268237389 455627492 /nfs/dbraw/zinc/62/74/92/455627492.db2.gz UBUPNEYQVUOBGZ-UHFFFAOYSA-N 1 2 346.362 3.350 10 5 EGBELO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1F ZINC000298329651 456426676 /nfs/dbraw/zinc/42/66/76/456426676.db2.gz RKVHOONAFHRSQM-UONOGXRCSA-N 1 2 330.306 3.220 10 5 EGBELO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c([N+](=O)[O-])cc1F ZINC000298329651 456426680 /nfs/dbraw/zinc/42/66/80/456426680.db2.gz RKVHOONAFHRSQM-UONOGXRCSA-N 1 2 330.306 3.220 10 5 EGBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000339088698 456935302 /nfs/dbraw/zinc/93/53/02/456935302.db2.gz ZXCNSCVKAJDHQL-SOZUMNATSA-N 1 2 328.368 3.343 10 5 EGBELO Cc1cn2cc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)ccc2[nH+]1 ZINC000339261483 457026777 /nfs/dbraw/zinc/02/67/77/457026777.db2.gz FUKMBGBLBINWNS-UHFFFAOYSA-N 1 2 349.350 3.144 10 5 EGBELO CC[C@@H]([NH2+]Cc1nc(CC(F)(F)F)no1)c1cccc([N+](=O)[O-])c1 ZINC000342265978 457199807 /nfs/dbraw/zinc/19/98/07/457199807.db2.gz LVEOFPVVGUYSNX-LLVKDONJSA-N 1 2 344.293 3.324 10 5 EGBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc2ccccc2c2cccnc12 ZINC000378312226 457389831 /nfs/dbraw/zinc/38/98/31/457389831.db2.gz QZSTXZFDEQIJTQ-AWEZNQCLSA-N 1 2 342.402 3.398 10 5 EGBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc2ccccc2c2cccnc12 ZINC000378312226 457389839 /nfs/dbraw/zinc/38/98/39/457389839.db2.gz QZSTXZFDEQIJTQ-AWEZNQCLSA-N 1 2 342.402 3.398 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000375913387 458122339 /nfs/dbraw/zinc/12/23/39/458122339.db2.gz IUALFQMCUKGJMK-LBPRGKRZSA-N 1 2 342.399 3.290 10 5 EGBELO Cc1cccc(C)c1OCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495455858 458861107 /nfs/dbraw/zinc/86/11/07/458861107.db2.gz SXZFULOKKUMNKZ-UHFFFAOYSA-N 1 2 341.411 3.434 10 5 EGBELO Cc1cccc(C)c1OCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495455858 458861111 /nfs/dbraw/zinc/86/11/11/458861111.db2.gz SXZFULOKKUMNKZ-UHFFFAOYSA-N 1 2 341.411 3.434 10 5 EGBELO C[N@@H+]1CCO[C@H](CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000578009561 459132108 /nfs/dbraw/zinc/13/21/08/459132108.db2.gz YIEQKBAFFBLIQQ-JTQLQIEISA-N 1 2 336.335 3.036 10 5 EGBELO C[N@H+]1CCO[C@H](CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000578009561 459132112 /nfs/dbraw/zinc/13/21/12/459132112.db2.gz YIEQKBAFFBLIQQ-JTQLQIEISA-N 1 2 336.335 3.036 10 5 EGBELO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888207 459475222 /nfs/dbraw/zinc/47/52/22/459475222.db2.gz CVMUDOROPANFRK-SMDDNHRTSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888207 459475226 /nfs/dbraw/zinc/47/52/26/459475226.db2.gz CVMUDOROPANFRK-SMDDNHRTSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891883 459478169 /nfs/dbraw/zinc/47/81/69/459478169.db2.gz QKCJLTBSRQBHGL-FZMZJTMJSA-N 1 2 332.322 3.179 10 5 EGBELO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891883 459478176 /nfs/dbraw/zinc/47/81/76/459478176.db2.gz QKCJLTBSRQBHGL-FZMZJTMJSA-N 1 2 332.322 3.179 10 5 EGBELO Cc1cc(NC[C@@H](C)CC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591963502 459499132 /nfs/dbraw/zinc/49/91/32/459499132.db2.gz FUDUEOOMYMXABF-JTQLQIEISA-N 1 2 336.342 3.485 10 5 EGBELO CC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)c1[nH]cc[nH+]1 ZINC000596202046 459559131 /nfs/dbraw/zinc/55/91/31/459559131.db2.gz PYNRDTNKVJACAF-QMMMGPOBSA-N 1 2 338.751 3.321 10 5 EGBELO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000544071643 459724591 /nfs/dbraw/zinc/72/45/91/459724591.db2.gz JMWJHMUTSMOZMP-UHFFFAOYSA-N 1 2 347.365 3.238 10 5 EGBELO CC[C@@](C)([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nccs1 ZINC000593019906 459741772 /nfs/dbraw/zinc/74/17/72/459741772.db2.gz RWVZQNJYLRMNRG-MRXNPFEDSA-N 1 2 349.412 3.253 10 5 EGBELO O=[N+]([O-])c1ccc2ncnc(Nc3ccc(N4CCCC4)[nH+]c3)c2c1 ZINC000609849407 460029183 /nfs/dbraw/zinc/02/91/83/460029183.db2.gz BJOJYPYRFXQOQV-UHFFFAOYSA-N 1 2 336.355 3.277 10 5 EGBELO COc1ccc([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000610275062 460102316 /nfs/dbraw/zinc/10/23/16/460102316.db2.gz YREXPXXSBSBWGJ-UHFFFAOYSA-N 1 2 328.372 3.079 10 5 EGBELO Cc1nn(C)c(C)c1CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599022775 460129531 /nfs/dbraw/zinc/12/95/31/460129531.db2.gz QERBMQNRZFDJPO-UHFFFAOYSA-N 1 2 325.372 3.148 10 5 EGBELO CCO[C@H]1C[C@@](O)(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1(C)C ZINC000599082029 460154710 /nfs/dbraw/zinc/15/47/10/460154710.db2.gz WXIBWMPSHLVXLO-MAUKXSAKSA-N 1 2 345.399 3.121 10 5 EGBELO CCC[C@H](C)C(=O)NCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082173 460154949 /nfs/dbraw/zinc/15/49/49/460154949.db2.gz RWYNZLQRCIKZNH-LBPRGKRZSA-N 1 2 330.388 3.107 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(c2ccncn2)CC1 ZINC000599086156 460156594 /nfs/dbraw/zinc/15/65/94/460156594.db2.gz JWUAMNKLFMBMJJ-UHFFFAOYSA-N 1 2 335.367 3.317 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](c3cc(C)cc[nH+]3)C2)c1 ZINC000599100282 460161714 /nfs/dbraw/zinc/16/17/14/460161714.db2.gz LRUBUTYZUZAICX-AWEZNQCLSA-N 1 2 341.367 3.079 10 5 EGBELO CC(C)(NC(=O)Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000610632999 460202505 /nfs/dbraw/zinc/20/25/05/460202505.db2.gz JULHMUGCTQPENS-UHFFFAOYSA-N 1 2 339.355 3.299 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC(F)(F)C[C@H]2C)c1 ZINC000599628845 460292219 /nfs/dbraw/zinc/29/22/19/460292219.db2.gz VDYFTCTWKCUGFJ-SNVBAGLBSA-N 1 2 328.315 3.001 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC(F)(F)C[C@H]2C)c1 ZINC000599628845 460292222 /nfs/dbraw/zinc/29/22/22/460292222.db2.gz VDYFTCTWKCUGFJ-SNVBAGLBSA-N 1 2 328.315 3.001 10 5 EGBELO C[N@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252285 460317200 /nfs/dbraw/zinc/31/72/00/460317200.db2.gz DNUHMJXZOSINHA-UHFFFAOYSA-N 1 2 332.331 3.137 10 5 EGBELO C[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252285 460317205 /nfs/dbraw/zinc/31/72/05/460317205.db2.gz DNUHMJXZOSINHA-UHFFFAOYSA-N 1 2 332.331 3.137 10 5 EGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501367 460379063 /nfs/dbraw/zinc/37/90/63/460379063.db2.gz BEDISWCRVMGCHE-JTNHKYCSSA-N 1 2 334.351 3.386 10 5 EGBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501367 460379072 /nfs/dbraw/zinc/37/90/72/460379072.db2.gz BEDISWCRVMGCHE-JTNHKYCSSA-N 1 2 334.351 3.386 10 5 EGBELO Cc1ccc[nH+]c1CCCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601172039 460739686 /nfs/dbraw/zinc/73/96/86/460739686.db2.gz USHVLOJREJWHQG-UHFFFAOYSA-N 1 2 343.309 3.095 10 5 EGBELO COc1cc(C[N@H+](C)Cc2ccc(Cl)nc2)c([N+](=O)[O-])cc1F ZINC000184230714 533786926 /nfs/dbraw/zinc/78/69/26/533786926.db2.gz CILZMVVDKDCKCF-UHFFFAOYSA-N 1 2 339.754 3.423 10 5 EGBELO COc1cc(C[N@@H+](C)Cc2ccc(Cl)nc2)c([N+](=O)[O-])cc1F ZINC000184230714 533786935 /nfs/dbraw/zinc/78/69/35/533786935.db2.gz CILZMVVDKDCKCF-UHFFFAOYSA-N 1 2 339.754 3.423 10 5 EGBELO CCOc1ccc(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000055229200 546556602 /nfs/dbraw/zinc/55/66/02/546556602.db2.gz XWVKPNGDIFVKQH-UHFFFAOYSA-N 1 2 340.339 3.431 10 5 EGBELO CCOc1ccc(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000055229200 546556604 /nfs/dbraw/zinc/55/66/04/546556604.db2.gz XWVKPNGDIFVKQH-UHFFFAOYSA-N 1 2 340.339 3.431 10 5 EGBELO C[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086557 1296725444 /nfs/dbraw/zinc/72/54/44/1296725444.db2.gz AAAWNEKHETWIDD-MRVPVSSYSA-N 1 2 346.284 3.337 10 5 EGBELO CN(C)c1[nH+]cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c2ccccc21 ZINC000917484998 1319820732 /nfs/dbraw/zinc/82/07/32/1319820732.db2.gz QXRICWZYQKBURL-UHFFFAOYSA-N 1 2 337.383 3.331 10 5 EGBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)OCCCn1cc[nH+]c1 ZINC000923595899 1322779639 /nfs/dbraw/zinc/77/96/39/1322779639.db2.gz XJFORJHTJAQGOZ-UHFFFAOYSA-N 1 2 337.763 3.011 10 5 EGBELO Cc1ccc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000866540576 1330124087 /nfs/dbraw/zinc/12/40/87/1330124087.db2.gz QRFUWCSPGUJPNJ-MRXNPFEDSA-N 1 2 329.404 3.433 10 5 EGBELO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124878273 1372737278 /nfs/dbraw/zinc/73/72/78/1372737278.db2.gz UTLQLEZEDLTYTM-LAQFHYBYSA-N 1 2 342.399 3.335 10 5 EGBELO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1cc(C)[nH+]c(C)c1 ZINC001163532305 1383072732 /nfs/dbraw/zinc/07/27/32/1383072732.db2.gz YWBQOKDPNSJDSZ-UHFFFAOYSA-N 1 2 329.356 3.314 10 5 EGBELO C[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1C ZINC001354775162 1392168349 /nfs/dbraw/zinc/16/83/49/1392168349.db2.gz GTTCHZMYMQPZQP-NFAWXSAZSA-N 1 2 342.399 3.335 10 5 EGBELO O=[N+]([O-])c1c(Nc2ccc(F)c(Cl)c2)ncnc1-n1cc[nH+]c1 ZINC000040660264 213365743 /nfs/dbraw/zinc/36/57/43/213365743.db2.gz ULRPCQJQGCSBOM-UHFFFAOYSA-N 1 2 334.698 3.107 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c(F)c1 ZINC000341266639 141147450 /nfs/dbraw/zinc/14/74/50/141147450.db2.gz IOCRWMGBMKPQLG-UHFFFAOYSA-N 1 2 340.358 3.269 10 5 EGBELO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353460882 141301571 /nfs/dbraw/zinc/30/15/71/141301571.db2.gz LVBOZLMVEBCDMG-SCLBCKFNSA-N 1 2 328.368 3.262 10 5 EGBELO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353460882 141301572 /nfs/dbraw/zinc/30/15/72/141301572.db2.gz LVBOZLMVEBCDMG-SCLBCKFNSA-N 1 2 328.368 3.262 10 5 EGBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115569626 152020628 /nfs/dbraw/zinc/02/06/28/152020628.db2.gz JYZBUNAKHCQXDN-HNNXBMFYSA-N 1 2 345.424 3.284 10 5 EGBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000115569626 152020634 /nfs/dbraw/zinc/02/06/34/152020634.db2.gz JYZBUNAKHCQXDN-HNNXBMFYSA-N 1 2 345.424 3.284 10 5 EGBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275824 152055135 /nfs/dbraw/zinc/05/51/35/152055135.db2.gz QTNAGMLFIWWNPF-CQSZACIVSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116275824 152055140 /nfs/dbraw/zinc/05/51/40/152055140.db2.gz QTNAGMLFIWWNPF-CQSZACIVSA-N 1 2 339.823 3.129 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000118836518 152155802 /nfs/dbraw/zinc/15/58/02/152155802.db2.gz NNFXLVYUJKPBCH-CVEARBPZSA-N 1 2 340.427 3.430 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368675626 157261937 /nfs/dbraw/zinc/26/19/37/157261937.db2.gz MBYPTCXIUOBBEY-FIXISWKDSA-N 1 2 337.807 3.450 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368675626 157261942 /nfs/dbraw/zinc/26/19/42/157261942.db2.gz MBYPTCXIUOBBEY-FIXISWKDSA-N 1 2 337.807 3.450 10 5 EGBELO Cc1c(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cccc1[N+](=O)[O-] ZINC000126757799 162312226 /nfs/dbraw/zinc/31/22/26/162312226.db2.gz ICBWRQUSAZZFFJ-SFHVURJKSA-N 1 2 328.368 3.182 10 5 EGBELO Cc1c(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cccc1[N+](=O)[O-] ZINC000126757799 162312231 /nfs/dbraw/zinc/31/22/31/162312231.db2.gz ICBWRQUSAZZFFJ-SFHVURJKSA-N 1 2 328.368 3.182 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2[nH+]ccn2CC(F)(F)F)n1 ZINC000359085013 167063042 /nfs/dbraw/zinc/06/30/42/167063042.db2.gz SJRHIVLFHQYXRB-UHFFFAOYSA-N 1 2 343.309 3.002 10 5 EGBELO Cc1[nH+]c2ccccc2n1CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359099014 167066411 /nfs/dbraw/zinc/06/64/11/167066411.db2.gz NNOQLMVRCXZJMP-UHFFFAOYSA-N 1 2 325.372 3.377 10 5 EGBELO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000366288606 168103165 /nfs/dbraw/zinc/10/31/65/168103165.db2.gz VTMAGMYAFZVQJZ-ZBFHGGJFSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000366288606 168103168 /nfs/dbraw/zinc/10/31/68/168103168.db2.gz VTMAGMYAFZVQJZ-ZBFHGGJFSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000161083759 307898109 /nfs/dbraw/zinc/89/81/09/307898109.db2.gz PMFXMYDLAFISSZ-GWCFXTLKSA-N 1 2 334.401 3.119 10 5 EGBELO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294566334 308233118 /nfs/dbraw/zinc/23/31/18/308233118.db2.gz BSLOUVATVBDPSJ-GFCCVEGCSA-N 1 2 327.388 3.345 10 5 EGBELO Cc1cc(NC[C@H](O)C2CCCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301300019 308695669 /nfs/dbraw/zinc/69/56/69/308695669.db2.gz UMGOAIPISIQQRZ-INIZCTEOSA-N 1 2 342.399 3.323 10 5 EGBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450539053 310128882 /nfs/dbraw/zinc/12/88/82/310128882.db2.gz ILEMOMQRDKEIIS-AWEZNQCLSA-N 1 2 333.388 3.036 10 5 EGBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000450539053 310128883 /nfs/dbraw/zinc/12/88/83/310128883.db2.gz ILEMOMQRDKEIIS-AWEZNQCLSA-N 1 2 333.388 3.036 10 5 EGBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451276456 310169401 /nfs/dbraw/zinc/16/94/01/310169401.db2.gz ZGLUEULCTNIIIF-QAPCUYQASA-N 1 2 348.349 3.034 10 5 EGBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451276456 310169402 /nfs/dbraw/zinc/16/94/02/310169402.db2.gz ZGLUEULCTNIIIF-QAPCUYQASA-N 1 2 348.349 3.034 10 5 EGBELO Cc1cc(F)ccc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000487962690 311045067 /nfs/dbraw/zinc/04/50/67/311045067.db2.gz ZGASZDIBBLXWAI-UHFFFAOYSA-N 1 2 331.347 3.113 10 5 EGBELO Cc1cc(F)ccc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000487962690 311045068 /nfs/dbraw/zinc/04/50/68/311045068.db2.gz ZGASZDIBBLXWAI-UHFFFAOYSA-N 1 2 331.347 3.113 10 5 EGBELO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccsc2)c([N+](=O)[O-])cc1C ZINC000007926930 453133583 /nfs/dbraw/zinc/13/35/83/453133583.db2.gz KTSNDOFHHMAAGH-UHFFFAOYSA-N 1 2 333.413 3.344 10 5 EGBELO Cc1cc(NC(=O)C[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])cc1C ZINC000007926930 453133595 /nfs/dbraw/zinc/13/35/95/453133595.db2.gz KTSNDOFHHMAAGH-UHFFFAOYSA-N 1 2 333.413 3.344 10 5 EGBELO C[N@H+](Cc1cncc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000029724617 453830933 /nfs/dbraw/zinc/83/09/33/453830933.db2.gz PQLGFPAPLSPZLW-UHFFFAOYSA-N 1 2 336.189 3.384 10 5 EGBELO C[N@@H+](Cc1cncc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000029724617 453830934 /nfs/dbraw/zinc/83/09/34/453830934.db2.gz PQLGFPAPLSPZLW-UHFFFAOYSA-N 1 2 336.189 3.384 10 5 EGBELO C[C@@H](c1nccs1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184590249 455409249 /nfs/dbraw/zinc/40/92/49/455409249.db2.gz VVBMOBKPWGVPJZ-KBPBESRZSA-N 1 2 346.456 3.491 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)CN(Cc1[nH+]ccn1Cc1ccccc1)CC2 ZINC000088607120 454115125 /nfs/dbraw/zinc/11/51/25/454115125.db2.gz KXTVLRLKVYXICR-UHFFFAOYSA-N 1 2 348.406 3.398 10 5 EGBELO C[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1F ZINC000612472208 460637439 /nfs/dbraw/zinc/63/74/39/460637439.db2.gz XBPOJJLLHRCEHO-SNVBAGLBSA-N 1 2 328.303 3.124 10 5 EGBELO CNC(=O)c1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135241108 454651592 /nfs/dbraw/zinc/65/15/92/454651592.db2.gz HSGFGPIUFNWHMJ-UHFFFAOYSA-N 1 2 339.395 3.119 10 5 EGBELO CNC(=O)c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000135241108 454651599 /nfs/dbraw/zinc/65/15/99/454651599.db2.gz HSGFGPIUFNWHMJ-UHFFFAOYSA-N 1 2 339.395 3.119 10 5 EGBELO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C3CC3)CC2)o1 ZINC000127911546 455008428 /nfs/dbraw/zinc/00/84/28/455008428.db2.gz JVDSYSGNJQVKFU-UHFFFAOYSA-N 1 2 327.384 3.135 10 5 EGBELO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(C4CC4)CC3)o2)c1 ZINC000127924738 455009900 /nfs/dbraw/zinc/00/99/00/455009900.db2.gz KEMPYYRQIPXGQZ-UHFFFAOYSA-N 1 2 327.384 3.135 10 5 EGBELO CC[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181761880 455380307 /nfs/dbraw/zinc/38/03/07/455380307.db2.gz ALSLGGLOVRXBKD-OAHLLOKOSA-N 1 2 329.404 3.232 10 5 EGBELO CC(=O)c1ccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268233071 455627024 /nfs/dbraw/zinc/62/70/24/455627024.db2.gz FWWMKJWQUZLDIG-YVEFUNNKSA-N 1 2 328.372 3.081 10 5 EGBELO Cc1ccnc(OC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000273028666 456150120 /nfs/dbraw/zinc/15/01/20/456150120.db2.gz UCSGVBQLBGGIAK-UHFFFAOYSA-N 1 2 333.413 3.403 10 5 EGBELO Cc1cn2cc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)ccc2[nH+]1 ZINC000347729365 456334425 /nfs/dbraw/zinc/33/44/25/456334425.db2.gz JAUUOSRNNMHRPP-NSHDSACASA-N 1 2 342.330 3.432 10 5 EGBELO Cc1cc(N[C@H]2CCC[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000298162864 456378907 /nfs/dbraw/zinc/37/89/07/456378907.db2.gz DQZJHMGWSXZKGP-ZFWWWQNUSA-N 1 2 342.399 3.323 10 5 EGBELO CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343601293 456734953 /nfs/dbraw/zinc/73/49/53/456734953.db2.gz FONMCAFBMICTEV-CQSZACIVSA-N 1 2 340.383 3.209 10 5 EGBELO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C2CCCC2)no1 ZINC000338351980 456781985 /nfs/dbraw/zinc/78/19/85/456781985.db2.gz SNYOAGRHALAPMZ-UHFFFAOYSA-N 1 2 330.388 3.310 10 5 EGBELO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C2CCCC2)no1 ZINC000338351980 456781991 /nfs/dbraw/zinc/78/19/91/456781991.db2.gz SNYOAGRHALAPMZ-UHFFFAOYSA-N 1 2 330.388 3.310 10 5 EGBELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000369889850 457446852 /nfs/dbraw/zinc/44/68/52/457446852.db2.gz URGAVWNTSRPDRJ-NSHDSACASA-N 1 2 328.372 3.185 10 5 EGBELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000369889850 457446860 /nfs/dbraw/zinc/44/68/60/457446860.db2.gz URGAVWNTSRPDRJ-NSHDSACASA-N 1 2 328.372 3.185 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000375158186 457815096 /nfs/dbraw/zinc/81/50/96/457815096.db2.gz IDPDPHQDWBYNJJ-HNNXBMFYSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000375158186 457815100 /nfs/dbraw/zinc/81/51/00/457815100.db2.gz IDPDPHQDWBYNJJ-HNNXBMFYSA-N 1 2 349.362 3.130 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)nc2c1 ZINC000444712913 457952272 /nfs/dbraw/zinc/95/22/72/457952272.db2.gz ZWPZPXADMYBJSA-VIFPVBQESA-N 1 2 328.294 3.245 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)nc2c1 ZINC000444712913 457952278 /nfs/dbraw/zinc/95/22/78/457952278.db2.gz ZWPZPXADMYBJSA-VIFPVBQESA-N 1 2 328.294 3.245 10 5 EGBELO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CC4(C3)CCCOC4)cs2)c1 ZINC000459615156 458428015 /nfs/dbraw/zinc/42/80/15/458428015.db2.gz YTFGZBBPMFOEMG-UHFFFAOYSA-N 1 2 345.424 3.331 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)c(Cl)c1 ZINC000373279932 458450834 /nfs/dbraw/zinc/45/08/34/458450834.db2.gz VFOUHCUNDUVFQE-UHFFFAOYSA-N 1 2 348.790 3.082 10 5 EGBELO CC(C)c1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000377709318 458512390 /nfs/dbraw/zinc/51/23/90/458512390.db2.gz YEFBKIPGNRWEOU-GOSISDBHSA-N 1 2 334.416 3.100 10 5 EGBELO CC(C)c1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000377709318 458512396 /nfs/dbraw/zinc/51/23/96/458512396.db2.gz YEFBKIPGNRWEOU-GOSISDBHSA-N 1 2 334.416 3.100 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456413639 458670030 /nfs/dbraw/zinc/67/00/30/458670030.db2.gz ICKDLNSYKKEKEP-MWLCHTKSSA-N 1 2 334.763 3.189 10 5 EGBELO COc1c(C)[nH+]cnc1N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000594584949 459097992 /nfs/dbraw/zinc/09/79/92/459097992.db2.gz GBIAODQXUMPBMU-CQSZACIVSA-N 1 2 328.372 3.086 10 5 EGBELO Cc1noc(C[N@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595328775 459278364 /nfs/dbraw/zinc/27/83/64/459278364.db2.gz ZFQMMBSZHQUTRK-XJKSGUPXSA-N 1 2 345.399 3.470 10 5 EGBELO Cc1noc(C[N@@H+]2C[C@H](c3cc(C)ccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595328775 459278369 /nfs/dbraw/zinc/27/83/69/459278369.db2.gz ZFQMMBSZHQUTRK-XJKSGUPXSA-N 1 2 345.399 3.470 10 5 EGBELO Cn1cc[nH+]c1[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000560007747 459291282 /nfs/dbraw/zinc/29/12/82/459291282.db2.gz WXACLZJANNSADI-MRXNPFEDSA-N 1 2 348.366 3.406 10 5 EGBELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595517984 459332255 /nfs/dbraw/zinc/33/22/55/459332255.db2.gz HHMKAEXBPMHKES-LLVKDONJSA-N 1 2 349.328 3.050 10 5 EGBELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595517984 459332264 /nfs/dbraw/zinc/33/22/64/459332264.db2.gz HHMKAEXBPMHKES-LLVKDONJSA-N 1 2 349.328 3.050 10 5 EGBELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595517989 459332361 /nfs/dbraw/zinc/33/23/61/459332361.db2.gz HHMKAEXBPMHKES-NSHDSACASA-N 1 2 349.328 3.050 10 5 EGBELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595517989 459332365 /nfs/dbraw/zinc/33/23/65/459332365.db2.gz HHMKAEXBPMHKES-NSHDSACASA-N 1 2 349.328 3.050 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000595704882 459405936 /nfs/dbraw/zinc/40/59/36/459405936.db2.gz RNGFDWFOBKRINV-INIZCTEOSA-N 1 2 344.342 3.468 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]2c2ccc(F)cc2)c1 ZINC000595704882 459405943 /nfs/dbraw/zinc/40/59/43/459405943.db2.gz RNGFDWFOBKRINV-INIZCTEOSA-N 1 2 344.342 3.468 10 5 EGBELO C[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000563037605 459702135 /nfs/dbraw/zinc/70/21/35/459702135.db2.gz AVVKYFIMBCYLNZ-CXAGYDPISA-N 1 2 341.415 3.153 10 5 EGBELO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000584421008 459735593 /nfs/dbraw/zinc/73/55/93/459735593.db2.gz ZJSQLRYKVLYSNE-DOMZBBRYSA-N 1 2 341.415 3.251 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000584476098 459748868 /nfs/dbraw/zinc/74/88/68/459748868.db2.gz OAQGABPHNQVFSD-FNORWQNLSA-N 1 2 338.363 3.481 10 5 EGBELO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000584476098 459748876 /nfs/dbraw/zinc/74/88/76/459748876.db2.gz OAQGABPHNQVFSD-FNORWQNLSA-N 1 2 338.363 3.481 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000597241369 459892503 /nfs/dbraw/zinc/89/25/03/459892503.db2.gz DQAGIIZZUFWQQL-SMDDNHRTSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000597241369 459892509 /nfs/dbraw/zinc/89/25/09/459892509.db2.gz DQAGIIZZUFWQQL-SMDDNHRTSA-N 1 2 332.322 3.445 10 5 EGBELO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH+]ccn2c1 ZINC000609619503 459995956 /nfs/dbraw/zinc/99/59/56/459995956.db2.gz ZLASXROUAKENQO-UHFFFAOYSA-N 1 2 339.355 3.073 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000597630544 460012831 /nfs/dbraw/zinc/01/28/31/460012831.db2.gz DJNHCKQLTRQONS-NSHDSACASA-N 1 2 342.399 3.359 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000597630544 460012838 /nfs/dbraw/zinc/01/28/38/460012838.db2.gz DJNHCKQLTRQONS-NSHDSACASA-N 1 2 342.399 3.359 10 5 EGBELO Cc1c([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)cccc1[N+](=O)[O-] ZINC000598943782 460098264 /nfs/dbraw/zinc/09/82/64/460098264.db2.gz YCRVDMKJGSRKRE-FZKQIMNGSA-N 1 2 339.395 3.267 10 5 EGBELO CC(=O)NC1CCC(N(C)c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599067007 460149098 /nfs/dbraw/zinc/14/90/98/460149098.db2.gz WIHQXNYTDAYELB-UHFFFAOYSA-N 1 2 342.399 3.027 10 5 EGBELO CC(C)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1(O)CCOCC1 ZINC000599089217 460157265 /nfs/dbraw/zinc/15/72/65/460157265.db2.gz CPVDGJLYKYIVEN-UHFFFAOYSA-N 1 2 345.399 3.123 10 5 EGBELO O=[N+]([O-])c1cc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cs1 ZINC000599626626 460291060 /nfs/dbraw/zinc/29/10/60/460291060.db2.gz XJGLBPIDOBNHLA-UHFFFAOYSA-N 1 2 342.424 3.460 10 5 EGBELO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000616152325 460485584 /nfs/dbraw/zinc/48/55/84/460485584.db2.gz LMJGXIIMBKLIBK-CYBMUJFWSA-N 1 2 345.374 3.150 10 5 EGBELO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000616152325 460485587 /nfs/dbraw/zinc/48/55/87/460485587.db2.gz LMJGXIIMBKLIBK-CYBMUJFWSA-N 1 2 345.374 3.150 10 5 EGBELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492536 575669580 /nfs/dbraw/zinc/66/95/80/575669580.db2.gz IRSLTCADCFYEFX-HNNXBMFYSA-N 1 2 339.823 3.081 10 5 EGBELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735492536 575669582 /nfs/dbraw/zinc/66/95/82/575669582.db2.gz IRSLTCADCFYEFX-HNNXBMFYSA-N 1 2 339.823 3.081 10 5 EGBELO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872028584 1296677383 /nfs/dbraw/zinc/67/73/83/1296677383.db2.gz QOQUSEPRLRBMKX-GFCCVEGCSA-N 1 2 345.374 3.334 10 5 EGBELO CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124672143 1372721157 /nfs/dbraw/zinc/72/11/57/1372721157.db2.gz APLUQTUIKDHZQG-UHFFFAOYSA-N 1 2 336.351 3.053 10 5 EGBELO O=C(c1cc2c[nH+]ccc2[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001153133262 1380027024 /nfs/dbraw/zinc/02/70/24/1380027024.db2.gz YKBMZKYAXYGCRI-UHFFFAOYSA-N 1 2 336.351 3.276 10 5 EGBELO O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001288389611 1381800159 /nfs/dbraw/zinc/80/01/59/1381800159.db2.gz FUWGDXQUFSLNJX-AEGPPILISA-N 1 2 340.383 3.089 10 5 EGBELO O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1cccc(-n2cc[nH+]c2)c1 ZINC001291587290 1382143987 /nfs/dbraw/zinc/14/39/87/1382143987.db2.gz YYKWCIJDKIXWLM-UHFFFAOYSA-N 1 2 340.314 3.101 10 5 EGBELO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1-n1cc[nH+]c1 ZINC001292861924 1382222903 /nfs/dbraw/zinc/22/29/03/1382222903.db2.gz DEXYHFUFRUUGMI-UHFFFAOYSA-N 1 2 337.339 3.045 10 5 EGBELO Cc1cc(CNc2ncc([N+](=O)[O-])cc2Br)cc(C)[nH+]1 ZINC001307146308 1383945348 /nfs/dbraw/zinc/94/53/48/1383945348.db2.gz PXOCFAMBHSJIMG-UHFFFAOYSA-N 1 2 337.177 3.376 10 5 EGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001308560703 1384133824 /nfs/dbraw/zinc/13/38/24/1384133824.db2.gz LKGHPHAIWJYHER-OQLLNIDSSA-N 1 2 345.443 3.329 10 5 EGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001308560703 1384133825 /nfs/dbraw/zinc/13/38/25/1384133825.db2.gz LKGHPHAIWJYHER-OQLLNIDSSA-N 1 2 345.443 3.329 10 5 EGBELO CC/C(C)=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001317734002 1385429792 /nfs/dbraw/zinc/42/97/92/1385429792.db2.gz FMZRQTRTKQSTEM-NAUDGSTISA-N 1 2 343.427 3.126 10 5 EGBELO CC/C(C)=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001317734002 1385429795 /nfs/dbraw/zinc/42/97/95/1385429795.db2.gz FMZRQTRTKQSTEM-NAUDGSTISA-N 1 2 343.427 3.126 10 5 EGBELO Cc1cc(Cl)c(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1[N+](=O)[O-] ZINC001179092232 1386397659 /nfs/dbraw/zinc/39/76/59/1386397659.db2.gz JQUDGMGDTTYBJD-UHFFFAOYSA-N 1 2 336.779 3.333 10 5 EGBELO Cc1cc(Cl)c(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC001179092232 1386397662 /nfs/dbraw/zinc/39/76/62/1386397662.db2.gz JQUDGMGDTTYBJD-UHFFFAOYSA-N 1 2 336.779 3.333 10 5 EGBELO Cn1cc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccccc2)cn1 ZINC001342193760 1390583812 /nfs/dbraw/zinc/58/38/12/1390583812.db2.gz AATCEKUUBCSTRB-INIZCTEOSA-N 1 2 328.397 3.269 10 5 EGBELO CC(C)(COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001345250112 1390851567 /nfs/dbraw/zinc/85/15/67/1390851567.db2.gz AGORQZVLKQSKRQ-UHFFFAOYSA-N 1 2 331.372 3.047 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000193613227 285112072 /nfs/dbraw/zinc/11/20/72/285112072.db2.gz LXJFGVRQMKNJRZ-SNVBAGLBSA-N 1 2 333.266 3.277 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000193613227 285112073 /nfs/dbraw/zinc/11/20/73/285112073.db2.gz LXJFGVRQMKNJRZ-SNVBAGLBSA-N 1 2 333.266 3.277 10 5 EGBELO COc1cccc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119076064 221238384 /nfs/dbraw/zinc/23/83/84/221238384.db2.gz HJGCVLYDNYPZIJ-GOSISDBHSA-N 1 2 328.368 3.177 10 5 EGBELO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119076064 221238387 /nfs/dbraw/zinc/23/83/87/221238387.db2.gz HJGCVLYDNYPZIJ-GOSISDBHSA-N 1 2 328.368 3.177 10 5 EGBELO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339063796 286343550 /nfs/dbraw/zinc/34/35/50/286343550.db2.gz GAHQDQLTDCSGJW-LLVKDONJSA-N 1 2 332.356 3.168 10 5 EGBELO Cc1c[nH+]ccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000112496663 162179047 /nfs/dbraw/zinc/17/90/47/162179047.db2.gz KOKGAIGOEOESTM-UHFFFAOYSA-N 1 2 341.776 3.061 10 5 EGBELO Cc1cccnc1OC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000352348523 165356696 /nfs/dbraw/zinc/35/66/96/165356696.db2.gz ASIZTHUTHAICKA-UHFFFAOYSA-N 1 2 333.413 3.403 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159292001 225187320 /nfs/dbraw/zinc/18/73/20/225187320.db2.gz NHCTUXRONNWUSB-COXVUDFISA-N 1 2 346.383 3.073 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159292001 225187324 /nfs/dbraw/zinc/18/73/24/225187324.db2.gz NHCTUXRONNWUSB-COXVUDFISA-N 1 2 346.383 3.073 10 5 EGBELO Cc1cnc(N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)c([N+](=O)[O-])c1 ZINC000275543765 267378710 /nfs/dbraw/zinc/37/87/10/267378710.db2.gz GWOHWXZIHWORMS-OAHLLOKOSA-N 1 2 341.415 3.252 10 5 EGBELO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072897211 275151985 /nfs/dbraw/zinc/15/19/85/275151985.db2.gz ZKAADDICEQAJHL-QWRGUYRKSA-N 1 2 325.796 3.307 10 5 EGBELO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072897211 275151986 /nfs/dbraw/zinc/15/19/86/275151986.db2.gz ZKAADDICEQAJHL-QWRGUYRKSA-N 1 2 325.796 3.307 10 5 EGBELO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000287712830 276150014 /nfs/dbraw/zinc/15/00/14/276150014.db2.gz DYPZWWRVIYJKLQ-YVEFUNNKSA-N 1 2 328.372 3.081 10 5 EGBELO CO[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302737287 308743848 /nfs/dbraw/zinc/74/38/48/308743848.db2.gz BMWHLOKRUUXTLH-HIFRSBDPSA-N 1 2 328.372 3.340 10 5 EGBELO CC(C)(C)OC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000330486581 308795647 /nfs/dbraw/zinc/79/56/47/308795647.db2.gz FHJRQERIYYFAAV-UHFFFAOYSA-N 1 2 326.418 3.210 10 5 EGBELO C[C@H]1CC(C)(C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000412765001 309001644 /nfs/dbraw/zinc/00/16/44/309001644.db2.gz MLWIXDDRFXDQGQ-LBPRGKRZSA-N 1 2 328.372 3.041 10 5 EGBELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451867880 310201003 /nfs/dbraw/zinc/20/10/03/310201003.db2.gz CZNICGUFTKZLGD-LLVKDONJSA-N 1 2 349.328 3.050 10 5 EGBELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000451867880 310201004 /nfs/dbraw/zinc/20/10/04/310201004.db2.gz CZNICGUFTKZLGD-LLVKDONJSA-N 1 2 349.328 3.050 10 5 EGBELO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000456344303 310399732 /nfs/dbraw/zinc/39/97/32/310399732.db2.gz FTQXTDHHZPTBKF-JTQLQIEISA-N 1 2 336.779 3.264 10 5 EGBELO Cc1ccc(CNc2[nH+]c3cc(Cl)ccc3n2C)cc1[N+](=O)[O-] ZINC000463492720 310613481 /nfs/dbraw/zinc/61/34/81/310613481.db2.gz VQHBKFWWWODWKV-UHFFFAOYSA-N 1 2 330.775 3.477 10 5 EGBELO CC[N@H+](CC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513424254 312209309 /nfs/dbraw/zinc/20/93/09/312209309.db2.gz FBQCHZGHQFYBQE-UHFFFAOYSA-N 1 2 334.397 3.318 10 5 EGBELO CC[N@@H+](CC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000513424254 312209311 /nfs/dbraw/zinc/20/93/11/312209311.db2.gz FBQCHZGHQFYBQE-UHFFFAOYSA-N 1 2 334.397 3.318 10 5 EGBELO COc1cccc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000563420418 316018333 /nfs/dbraw/zinc/01/83/33/316018333.db2.gz GBOWHDPBQODWAU-UHFFFAOYSA-N 1 2 328.372 3.211 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000007731321 453109164 /nfs/dbraw/zinc/10/91/64/453109164.db2.gz WICQZWRNFHSRHM-GFCCVEGCSA-N 1 2 331.347 3.365 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000007731321 453109173 /nfs/dbraw/zinc/10/91/73/453109173.db2.gz WICQZWRNFHSRHM-GFCCVEGCSA-N 1 2 331.347 3.365 10 5 EGBELO Cc1cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000041789603 453978532 /nfs/dbraw/zinc/97/85/32/453978532.db2.gz WGDFNGNNTBSQDS-UHFFFAOYSA-N 1 2 344.758 3.134 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000104681607 454595612 /nfs/dbraw/zinc/59/56/12/454595612.db2.gz MBHSRDVGXVOIDN-UHFFFAOYSA-N 1 2 344.415 3.485 10 5 EGBELO O=[N+]([O-])c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c2ncccc12 ZINC000092623962 454597275 /nfs/dbraw/zinc/59/72/75/454597275.db2.gz GCXWNJMYVROUES-UHFFFAOYSA-N 1 2 346.350 3.336 10 5 EGBELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153084049 454759064 /nfs/dbraw/zinc/75/90/64/454759064.db2.gz AUTVFGNVEWSSEX-BBBYJDLNSA-N 1 2 345.443 3.036 10 5 EGBELO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153084049 454759067 /nfs/dbraw/zinc/75/90/67/454759067.db2.gz AUTVFGNVEWSSEX-BBBYJDLNSA-N 1 2 345.443 3.036 10 5 EGBELO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CCC3)n2C)cc1[N+](=O)[O-] ZINC000181763068 455380065 /nfs/dbraw/zinc/38/00/65/455380065.db2.gz DVDIYTMXXPSYLQ-GFCCVEGCSA-N 1 2 329.404 3.150 10 5 EGBELO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000184492390 455389301 /nfs/dbraw/zinc/38/93/01/455389301.db2.gz ZSTQCCVODHFQKS-LBPRGKRZSA-N 1 2 326.418 3.210 10 5 EGBELO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000184492390 455389303 /nfs/dbraw/zinc/38/93/03/455389303.db2.gz ZSTQCCVODHFQKS-LBPRGKRZSA-N 1 2 326.418 3.210 10 5 EGBELO O=[N+]([O-])c1cnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c(Cl)c1 ZINC000301557387 456146416 /nfs/dbraw/zinc/14/64/16/456146416.db2.gz SSPLJRQFPUSMRP-UHFFFAOYSA-N 1 2 335.726 3.313 10 5 EGBELO Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(-c2cccnc2)[nH+]1 ZINC000343225519 456464472 /nfs/dbraw/zinc/46/44/72/456464472.db2.gz SQDSQWYAXDOHCM-UHFFFAOYSA-N 1 2 349.394 3.434 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000344013948 456788431 /nfs/dbraw/zinc/78/84/31/456788431.db2.gz OPVLOCJUMGQWSM-UHFFFAOYSA-N 1 2 334.763 3.270 10 5 EGBELO CCCCNC(=O)C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000339040626 456911916 /nfs/dbraw/zinc/91/19/16/456911916.db2.gz PWGVCURGCCBTFR-UHFFFAOYSA-N 1 2 349.431 3.009 10 5 EGBELO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339044300 456914159 /nfs/dbraw/zinc/91/41/59/456914159.db2.gz QBNBXDQDZVDBTM-KPZWWZAWSA-N 1 2 328.368 3.124 10 5 EGBELO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339044300 456914162 /nfs/dbraw/zinc/91/41/62/456914162.db2.gz QBNBXDQDZVDBTM-KPZWWZAWSA-N 1 2 328.368 3.124 10 5 EGBELO COc1cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)c([N+](=O)[O-])cc1F ZINC000339773919 457261157 /nfs/dbraw/zinc/26/11/57/457261157.db2.gz YNMFAUKHOHJCGA-CQSZACIVSA-N 1 2 338.379 3.134 10 5 EGBELO COc1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)c([N+](=O)[O-])cc1F ZINC000339773919 457261160 /nfs/dbraw/zinc/26/11/60/457261160.db2.gz YNMFAUKHOHJCGA-CQSZACIVSA-N 1 2 338.379 3.134 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369889978 457446808 /nfs/dbraw/zinc/44/68/08/457446808.db2.gz VSUVVKQQQWCRRC-LBPRGKRZSA-N 1 2 342.399 3.493 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369889978 457446812 /nfs/dbraw/zinc/44/68/12/457446812.db2.gz VSUVVKQQQWCRRC-LBPRGKRZSA-N 1 2 342.399 3.493 10 5 EGBELO C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000372911417 458347193 /nfs/dbraw/zinc/34/71/93/458347193.db2.gz LWQSWJRMAZYPFU-ZDUSSCGKSA-N 1 2 340.383 3.185 10 5 EGBELO CC(C)c1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000373697082 458576119 /nfs/dbraw/zinc/57/61/19/458576119.db2.gz ZGLFLBRFWRYAMZ-UHFFFAOYSA-N 1 2 342.399 3.461 10 5 EGBELO CC(C)c1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000373697082 458576128 /nfs/dbraw/zinc/57/61/28/458576128.db2.gz ZGLFLBRFWRYAMZ-UHFFFAOYSA-N 1 2 342.399 3.461 10 5 EGBELO COc1cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000424207963 458583914 /nfs/dbraw/zinc/58/39/14/458583914.db2.gz XVSZSPUCQFMZNY-DLBZAZTESA-N 1 2 332.331 3.036 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470955505 458668154 /nfs/dbraw/zinc/66/81/54/458668154.db2.gz LWMQWSWZOXYRKE-QWRGUYRKSA-N 1 2 345.321 3.114 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470955505 458668159 /nfs/dbraw/zinc/66/81/59/458668159.db2.gz LWMQWSWZOXYRKE-QWRGUYRKSA-N 1 2 345.321 3.114 10 5 EGBELO COc1cc(C[N@H+](C)Cc2cnc(C(C)C)nc2)ccc1[N+](=O)[O-] ZINC000440466914 458814591 /nfs/dbraw/zinc/81/45/91/458814591.db2.gz QIURZVJHXYYESS-UHFFFAOYSA-N 1 2 330.388 3.149 10 5 EGBELO COc1cc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)ccc1[N+](=O)[O-] ZINC000440466914 458814598 /nfs/dbraw/zinc/81/45/98/458814598.db2.gz QIURZVJHXYYESS-UHFFFAOYSA-N 1 2 330.388 3.149 10 5 EGBELO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590178788 459098579 /nfs/dbraw/zinc/09/85/79/459098579.db2.gz BBSJFNOQIWHXLO-AZFSHXRASA-N 1 2 348.443 3.452 10 5 EGBELO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590178788 459098585 /nfs/dbraw/zinc/09/85/85/459098585.db2.gz BBSJFNOQIWHXLO-AZFSHXRASA-N 1 2 348.443 3.452 10 5 EGBELO COc1ccccc1C1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000592144733 459536706 /nfs/dbraw/zinc/53/67/06/459536706.db2.gz LHARHBRMMUORNZ-UHFFFAOYSA-N 1 2 328.368 3.391 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(=[NH+]C3CC(OCc4ccccc4)C3)[nH]c2c1 ZINC000583732856 459586926 /nfs/dbraw/zinc/58/69/26/459586926.db2.gz KIFKBOZYDQHBPW-UHFFFAOYSA-N 1 2 338.367 3.053 10 5 EGBELO Cc1cc(NC[C@@H]2CCOC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596545207 459672213 /nfs/dbraw/zinc/67/22/13/459672213.db2.gz RGMAAOIRYGTBOH-AWEZNQCLSA-N 1 2 342.399 3.009 10 5 EGBELO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c(F)c1 ZINC000586760851 459865976 /nfs/dbraw/zinc/86/59/76/459865976.db2.gz FVYYAOLRYCYLMJ-LLVKDONJSA-N 1 2 334.326 3.043 10 5 EGBELO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c(F)c1 ZINC000586760851 459865979 /nfs/dbraw/zinc/86/59/79/459865979.db2.gz FVYYAOLRYCYLMJ-LLVKDONJSA-N 1 2 334.326 3.043 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4ccccn4)CC3)nc2c1 ZINC000618288436 459958412 /nfs/dbraw/zinc/95/84/12/459958412.db2.gz PMGSOIBBTVXTDW-UHFFFAOYSA-N 1 2 337.383 3.246 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000589502785 460096499 /nfs/dbraw/zinc/09/64/99/460096499.db2.gz AQBSEEWYCNYFJV-INIZCTEOSA-N 1 2 344.342 3.468 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000589502785 460096502 /nfs/dbraw/zinc/09/65/02/460096502.db2.gz AQBSEEWYCNYFJV-INIZCTEOSA-N 1 2 344.342 3.468 10 5 EGBELO Cc1c(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cnn1C ZINC000619183069 460293057 /nfs/dbraw/zinc/29/30/57/460293057.db2.gz NXFHPEBFUZNZNI-UHFFFAOYSA-N 1 2 332.404 3.056 10 5 EGBELO Cc1c(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cnn1C ZINC000619183069 460293060 /nfs/dbraw/zinc/29/30/60/460293060.db2.gz NXFHPEBFUZNZNI-UHFFFAOYSA-N 1 2 332.404 3.056 10 5 EGBELO Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000871920896 1296611577 /nfs/dbraw/zinc/61/15/77/1296611577.db2.gz KHFPXVPVQWKWJJ-SFHVURJKSA-N 1 2 339.395 3.013 10 5 EGBELO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042915 1296692086 /nfs/dbraw/zinc/69/20/86/1296692086.db2.gz FPAAOVPUCUCENH-VIFPVBQESA-N 1 2 346.284 3.344 10 5 EGBELO O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1cccc(-n2cc[nH+]c2)c1 ZINC001125084004 1372752351 /nfs/dbraw/zinc/75/23/51/1372752351.db2.gz OPAKMNAVOPIZPF-UHFFFAOYSA-N 1 2 340.314 3.101 10 5 EGBELO Cc1sccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001287722387 1381366347 /nfs/dbraw/zinc/36/63/47/1381366347.db2.gz ALECKNWUBLOOLX-UHFFFAOYSA-N 1 2 328.353 3.403 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3Cn3cc[nH+]c3)nc2c1 ZINC001163437801 1383052301 /nfs/dbraw/zinc/05/23/01/1383052301.db2.gz XWMSFTGSSYRBKU-UHFFFAOYSA-N 1 2 348.366 3.328 10 5 EGBELO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(c3ncccn3)CC2)c(F)c1 ZINC001176295043 1385543408 /nfs/dbraw/zinc/54/34/08/1385543408.db2.gz LZEYQSAUCZKQOV-UHFFFAOYSA-N 1 2 334.326 3.043 10 5 EGBELO CCCCC(=O)N(C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001479884190 1392457131 /nfs/dbraw/zinc/45/71/31/1392457131.db2.gz XKLXIGNQGWJTQH-UHFFFAOYSA-N 1 2 339.461 3.269 10 5 EGBELO CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001732025921 1428244400 /nfs/dbraw/zinc/24/44/00/1428244400.db2.gz YGXSDBPVYDYOAV-IUNVMDDCSA-N 1 2 343.427 3.126 10 5 EGBELO CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001732025921 1428244403 /nfs/dbraw/zinc/24/44/03/1428244403.db2.gz YGXSDBPVYDYOAV-IUNVMDDCSA-N 1 2 343.427 3.126 10 5 EGBELO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000351722093 144296692 /nfs/dbraw/zinc/29/66/92/144296692.db2.gz UQOFKSPJJYTXPA-VIFPVBQESA-N 1 2 336.294 3.453 10 5 EGBELO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC000351752422 144301620 /nfs/dbraw/zinc/30/16/20/144301620.db2.gz RLFNMKQIWDUJFZ-HNNXBMFYSA-N 1 2 342.729 3.350 10 5 EGBELO C[NH+](C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000361659445 144345483 /nfs/dbraw/zinc/34/54/83/144345483.db2.gz HOZLGLNKGZNQMZ-OAHLLOKOSA-N 1 2 349.774 3.195 10 5 EGBELO CCc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)[nH]1 ZINC000191690285 153217065 /nfs/dbraw/zinc/21/70/65/153217065.db2.gz XUIXLQBDTSCULY-UHFFFAOYSA-N 1 2 349.822 3.308 10 5 EGBELO CCc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000191690285 153217068 /nfs/dbraw/zinc/21/70/68/153217068.db2.gz XUIXLQBDTSCULY-UHFFFAOYSA-N 1 2 349.822 3.308 10 5 EGBELO CCc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n[nH]1 ZINC000191690285 153217071 /nfs/dbraw/zinc/21/70/71/153217071.db2.gz XUIXLQBDTSCULY-UHFFFAOYSA-N 1 2 349.822 3.308 10 5 EGBELO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195081582 153378719 /nfs/dbraw/zinc/37/87/19/153378719.db2.gz HQJUPAXSSIXSKO-AWEZNQCLSA-N 1 2 345.424 3.120 10 5 EGBELO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195081582 153378724 /nfs/dbraw/zinc/37/87/24/153378724.db2.gz HQJUPAXSSIXSKO-AWEZNQCLSA-N 1 2 345.424 3.120 10 5 EGBELO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000366976258 168164867 /nfs/dbraw/zinc/16/48/67/168164867.db2.gz OFGGNWHHMIBKDL-LBPRGKRZSA-N 1 2 341.346 3.165 10 5 EGBELO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000194843076 275227836 /nfs/dbraw/zinc/22/78/36/275227836.db2.gz MWIBMCRQXBXEDM-UHFFFAOYSA-N 1 2 343.383 3.196 10 5 EGBELO Cc1[nH+]c2ccccc2n1C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340861185 282077757 /nfs/dbraw/zinc/07/77/57/282077757.db2.gz TVAGPZWRGDQVRB-UHFFFAOYSA-N 1 2 337.383 3.489 10 5 EGBELO Cn1cc(Cl)c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000420959996 309304256 /nfs/dbraw/zinc/30/42/56/309304256.db2.gz GBMUZGGFKGLZDO-CYBMUJFWSA-N 1 2 334.807 3.361 10 5 EGBELO Cn1cc(Cl)c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000420959996 309304257 /nfs/dbraw/zinc/30/42/57/309304257.db2.gz GBMUZGGFKGLZDO-CYBMUJFWSA-N 1 2 334.807 3.361 10 5 EGBELO CN(C[C@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450552359 310129714 /nfs/dbraw/zinc/12/97/14/310129714.db2.gz HOHBKKSAJUPAIE-AWEZNQCLSA-N 1 2 340.383 3.209 10 5 EGBELO O=C(NC12CCC(CC1)CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456263912 310395605 /nfs/dbraw/zinc/39/56/05/310395605.db2.gz ZDRICFIDXPTMJE-UHFFFAOYSA-N 1 2 340.383 3.233 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456413638 310405110 /nfs/dbraw/zinc/40/51/10/310405110.db2.gz ICKDLNSYKKEKEP-KOLCDFICSA-N 1 2 334.763 3.189 10 5 EGBELO Cc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000389928594 324281230 /nfs/dbraw/zinc/28/12/30/324281230.db2.gz GLYSHAQEFHQLBV-UHFFFAOYSA-N 1 2 336.395 3.438 10 5 EGBELO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000157915068 455248968 /nfs/dbraw/zinc/24/89/68/455248968.db2.gz UXPRFBJOHOUBAG-OAHLLOKOSA-N 1 2 334.397 3.238 10 5 EGBELO COc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000157915068 455248973 /nfs/dbraw/zinc/24/89/73/455248973.db2.gz UXPRFBJOHOUBAG-OAHLLOKOSA-N 1 2 334.397 3.238 10 5 EGBELO Cc1nnc([C@H](C)Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000084114693 453970551 /nfs/dbraw/zinc/97/05/51/453970551.db2.gz AQEABOWTNPZRAX-JTQLQIEISA-N 1 2 340.343 3.225 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](Cc1ccco1)C1CC1 ZINC000058172490 454167904 /nfs/dbraw/zinc/16/79/04/454167904.db2.gz WMPDLRXJBHPFKG-UHFFFAOYSA-N 1 2 329.356 3.099 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](Cc1ccco1)C1CC1 ZINC000058172490 454167905 /nfs/dbraw/zinc/16/79/05/454167905.db2.gz WMPDLRXJBHPFKG-UHFFFAOYSA-N 1 2 329.356 3.099 10 5 EGBELO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1c[nH]c2ccccc12 ZINC000131434889 454253972 /nfs/dbraw/zinc/25/39/72/454253972.db2.gz LXQPXUMXPSVENY-UHFFFAOYSA-N 1 2 335.363 3.317 10 5 EGBELO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1c[nH]c2ccccc12 ZINC000131434889 454253978 /nfs/dbraw/zinc/25/39/78/454253978.db2.gz LXQPXUMXPSVENY-UHFFFAOYSA-N 1 2 335.363 3.317 10 5 EGBELO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000047265276 454348651 /nfs/dbraw/zinc/34/86/51/454348651.db2.gz PIFVALRPLDOUBU-UHFFFAOYSA-N 1 2 347.440 3.125 10 5 EGBELO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000047265276 454348655 /nfs/dbraw/zinc/34/86/55/454348655.db2.gz PIFVALRPLDOUBU-UHFFFAOYSA-N 1 2 347.440 3.125 10 5 EGBELO Cc1cc(NCCc2nccs2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000065230924 454540887 /nfs/dbraw/zinc/54/08/87/454540887.db2.gz YVLQSZIYEVWGCA-UHFFFAOYSA-N 1 2 341.396 3.471 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000080637002 454610375 /nfs/dbraw/zinc/61/03/75/454610375.db2.gz LGPSRBYOOXUZCG-UHFFFAOYSA-N 1 2 330.319 3.311 10 5 EGBELO C[C@@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000074662476 454614949 /nfs/dbraw/zinc/61/49/49/454614949.db2.gz WWKDFWNKNSSMJF-CYBMUJFWSA-N 1 2 328.372 3.185 10 5 EGBELO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000172092884 455120693 /nfs/dbraw/zinc/12/06/93/455120693.db2.gz DRXFSMQFIIBSLR-LBPRGKRZSA-N 1 2 328.372 3.089 10 5 EGBELO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000156733210 455147603 /nfs/dbraw/zinc/14/76/03/455147603.db2.gz BHPDUJSAEZZOTB-LBPRGKRZSA-N 1 2 326.418 3.210 10 5 EGBELO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000156733210 455147605 /nfs/dbraw/zinc/14/76/05/455147605.db2.gz BHPDUJSAEZZOTB-LBPRGKRZSA-N 1 2 326.418 3.210 10 5 EGBELO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184184086 455359237 /nfs/dbraw/zinc/35/92/37/455359237.db2.gz ZBLHPYWKNXROJK-MNOVXSKESA-N 1 2 334.401 3.038 10 5 EGBELO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000192516422 455634886 /nfs/dbraw/zinc/63/48/86/455634886.db2.gz BVADKHRYRXAPHZ-YPMHNXCESA-N 1 2 340.355 3.187 10 5 EGBELO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000192516422 455634888 /nfs/dbraw/zinc/63/48/88/455634888.db2.gz BVADKHRYRXAPHZ-YPMHNXCESA-N 1 2 340.355 3.187 10 5 EGBELO CC(C)c1nc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000195375310 455952947 /nfs/dbraw/zinc/95/29/47/455952947.db2.gz VRDAGYSZZOIUGQ-OAHLLOKOSA-N 1 2 346.387 3.317 10 5 EGBELO CC(C)c1nc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000195375310 455952950 /nfs/dbraw/zinc/95/29/50/455952950.db2.gz VRDAGYSZZOIUGQ-OAHLLOKOSA-N 1 2 346.387 3.317 10 5 EGBELO C[C@@H]1CCCN(c2cc(NCc3cccc([N+](=O)[O-])c3)[nH+]cn2)C1 ZINC000301277409 456079173 /nfs/dbraw/zinc/07/91/73/456079173.db2.gz WWJZQFAMXKGPSW-CYBMUJFWSA-N 1 2 327.388 3.233 10 5 EGBELO C[C@@H]1CCCN(c2cc(NCc3cccc([N+](=O)[O-])c3)nc[nH+]2)C1 ZINC000301277409 456079176 /nfs/dbraw/zinc/07/91/76/456079176.db2.gz WWJZQFAMXKGPSW-CYBMUJFWSA-N 1 2 327.388 3.233 10 5 EGBELO CCC(CC)n1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000347795245 456372061 /nfs/dbraw/zinc/37/20/61/456372061.db2.gz LAOZTYODQKFMOR-UHFFFAOYSA-N 1 2 329.404 3.106 10 5 EGBELO CCC(CC)n1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)n1 ZINC000347795245 456372068 /nfs/dbraw/zinc/37/20/68/456372068.db2.gz LAOZTYODQKFMOR-UHFFFAOYSA-N 1 2 329.404 3.106 10 5 EGBELO C[C@@](CO)([NH2+]Cc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601150074 460732358 /nfs/dbraw/zinc/73/23/58/460732358.db2.gz UCFMVUVBAIEAHB-INIZCTEOSA-N 1 2 338.766 3.385 10 5 EGBELO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000340566566 456534118 /nfs/dbraw/zinc/53/41/18/456534118.db2.gz DBCHSNUUZVOONM-DOMZBBRYSA-N 1 2 328.359 3.102 10 5 EGBELO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000340566566 456534123 /nfs/dbraw/zinc/53/41/23/456534123.db2.gz DBCHSNUUZVOONM-DOMZBBRYSA-N 1 2 328.359 3.102 10 5 EGBELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341774763 456938146 /nfs/dbraw/zinc/93/81/46/456938146.db2.gz RFKLWKXGADPTPG-LBPRGKRZSA-N 1 2 338.367 3.130 10 5 EGBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000353928644 456969414 /nfs/dbraw/zinc/96/94/14/456969414.db2.gz HGZMSLGJYVMXIP-UHFFFAOYSA-N 1 2 345.403 3.331 10 5 EGBELO C[C@H]1c2ccccc2C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361053990 457547981 /nfs/dbraw/zinc/54/79/81/457547981.db2.gz ASYGTDAAFWNYTP-ZDUSSCGKSA-N 1 2 325.368 3.134 10 5 EGBELO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000361053990 457547986 /nfs/dbraw/zinc/54/79/86/457547986.db2.gz ASYGTDAAFWNYTP-ZDUSSCGKSA-N 1 2 325.368 3.134 10 5 EGBELO CCc1ccc([C@H](COC)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000347616269 457552044 /nfs/dbraw/zinc/55/20/44/457552044.db2.gz LVOZLJYWKQPQIH-AWEZNQCLSA-N 1 2 334.372 3.236 10 5 EGBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361063724 457558487 /nfs/dbraw/zinc/55/84/87/457558487.db2.gz UXMHAHHVVQUOER-STQMWFEESA-N 1 2 325.368 3.499 10 5 EGBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361063724 457558491 /nfs/dbraw/zinc/55/84/91/457558491.db2.gz UXMHAHHVVQUOER-STQMWFEESA-N 1 2 325.368 3.499 10 5 EGBELO CCc1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000590757599 459207275 /nfs/dbraw/zinc/20/72/75/459207275.db2.gz BTLVCJGTJCCKFK-ZDUSSCGKSA-N 1 2 332.429 3.388 10 5 EGBELO CCc1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000590757599 459207286 /nfs/dbraw/zinc/20/72/86/459207286.db2.gz BTLVCJGTJCCKFK-ZDUSSCGKSA-N 1 2 332.429 3.388 10 5 EGBELO C[C@@]1(C2CC2)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000595627205 459374627 /nfs/dbraw/zinc/37/46/27/459374627.db2.gz WWMXDRSKOMDROW-SFHVURJKSA-N 1 2 343.383 3.251 10 5 EGBELO C[C@@]1(C2CC2)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000595627205 459374630 /nfs/dbraw/zinc/37/46/30/459374630.db2.gz WWMXDRSKOMDROW-SFHVURJKSA-N 1 2 343.383 3.251 10 5 EGBELO Cc1sc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)cc1[N+](=O)[O-] ZINC000525217791 459428128 /nfs/dbraw/zinc/42/81/28/459428128.db2.gz JJFYTEPFDFGGRE-UHFFFAOYSA-N 1 2 330.369 3.412 10 5 EGBELO Cc1c(C[N@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000595891950 459477593 /nfs/dbraw/zinc/47/75/93/459477593.db2.gz RNWNQRDXVDMWFJ-MFKMUULPSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000595891950 459477600 /nfs/dbraw/zinc/47/76/00/459477600.db2.gz RNWNQRDXVDMWFJ-MFKMUULPSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1cc(NC[C@H](C)CC(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591963503 459498963 /nfs/dbraw/zinc/49/89/63/459498963.db2.gz FUDUEOOMYMXABF-SNVBAGLBSA-N 1 2 336.342 3.485 10 5 EGBELO Cc1cc(NC[C@@]2(C)CC2(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596476350 459650564 /nfs/dbraw/zinc/65/05/64/459650564.db2.gz HMTSGTIHAZUFNN-OAHLLOKOSA-N 1 2 334.326 3.239 10 5 EGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000597252163 459896598 /nfs/dbraw/zinc/89/65/98/459896598.db2.gz RMMNRPQUPJQECR-OQRGYWNNSA-N 1 2 326.343 3.354 10 5 EGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000597252163 459896603 /nfs/dbraw/zinc/89/66/03/459896603.db2.gz RMMNRPQUPJQECR-OQRGYWNNSA-N 1 2 326.343 3.354 10 5 EGBELO Cn1cc[nH+]c1[C@H](N[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000588232434 459935078 /nfs/dbraw/zinc/93/50/78/459935078.db2.gz HGIXHJCHXRLJQA-UONOGXRCSA-N 1 2 336.342 3.195 10 5 EGBELO COc1cc(C[N@H+](C)Cc2c(C)cc(C)nc2OC)ccc1[N+](=O)[O-] ZINC000598648118 459975760 /nfs/dbraw/zinc/97/57/60/459975760.db2.gz HQKWFDZJNNRXCG-UHFFFAOYSA-N 1 2 345.399 3.256 10 5 EGBELO COc1cc(C[N@@H+](C)Cc2c(C)cc(C)nc2OC)ccc1[N+](=O)[O-] ZINC000598648118 459975767 /nfs/dbraw/zinc/97/57/67/459975767.db2.gz HQKWFDZJNNRXCG-UHFFFAOYSA-N 1 2 345.399 3.256 10 5 EGBELO CC[N@H+](CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000593786870 459985687 /nfs/dbraw/zinc/98/56/87/459985687.db2.gz RTRFYPXDIVFFSZ-UHFFFAOYSA-N 1 2 349.431 3.075 10 5 EGBELO CC[N@@H+](CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000593786870 459985694 /nfs/dbraw/zinc/98/56/94/459985694.db2.gz RTRFYPXDIVFFSZ-UHFFFAOYSA-N 1 2 349.431 3.075 10 5 EGBELO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000610026238 460053651 /nfs/dbraw/zinc/05/36/51/460053651.db2.gz HPDOWURJLLTUSW-NSHDSACASA-N 1 2 325.328 3.125 10 5 EGBELO CCOC(=O)CC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599019613 460128169 /nfs/dbraw/zinc/12/81/69/460128169.db2.gz HWGPHIFWSCVSEL-UHFFFAOYSA-N 1 2 343.383 3.313 10 5 EGBELO Cc1cc[nH+]c([C@H]2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000599102752 460161904 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CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccsc1 ZINC001130445054 1373543728 /nfs/dbraw/zinc/54/37/28/1373543728.db2.gz YERZTRXQTXEVRV-UHFFFAOYSA-N 1 2 328.353 3.119 10 5 EGBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC001136646759 1377412523 /nfs/dbraw/zinc/41/25/23/1377412523.db2.gz NVFQDVGNKOZBSN-UHFFFAOYSA-N 1 2 346.362 3.059 10 5 EGBELO Cc1[nH]c2ccc(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])cc2[nH+]1 ZINC001137392669 1377537914 /nfs/dbraw/zinc/53/79/14/1377537914.db2.gz FOFBLAXMWKQNGG-UHFFFAOYSA-N 1 2 342.330 3.490 10 5 EGBELO Cc1ccc(Cn2cc([N+](=O)[O-])c(-c3ccc(F)cn3)n2)c(C)[nH+]1 ZINC001307350591 1383975291 /nfs/dbraw/zinc/97/52/91/1383975291.db2.gz YEICBEZZUWDXFZ-UHFFFAOYSA-N 1 2 327.319 3.053 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCc3cc(F)cc(F)c3C2)c1 ZINC001308172610 1384105879 /nfs/dbraw/zinc/10/58/79/1384105879.db2.gz FKLLQYDIFGLYQS-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCc3cc(F)cc(F)c3C2)c1 ZINC001308172610 1384105881 /nfs/dbraw/zinc/10/58/81/1384105881.db2.gz FKLLQYDIFGLYQS-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO CCCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC001319013663 1385926485 /nfs/dbraw/zinc/92/64/85/1385926485.db2.gz VQPWWRLDECNIMS-UHFFFAOYSA-N 1 2 342.399 3.433 10 5 EGBELO CC(C)CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001354597796 1392155297 /nfs/dbraw/zinc/15/52/97/1392155297.db2.gz IDKAAZFKYJJVCG-CYBMUJFWSA-N 1 2 330.388 3.335 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@@H](O)c2c(F)cccc2F)c1 ZINC000049998706 214039957 /nfs/dbraw/zinc/03/99/57/214039957.db2.gz ZVISFOFMENJRGG-OAHLLOKOSA-N 1 2 345.305 3.470 10 5 EGBELO Cc1ccc2cccc(Nc3ncnc(-n4cc[nH+]c4)c3[N+](=O)[O-])c2n1 ZINC000040627000 213360939 /nfs/dbraw/zinc/36/09/39/213360939.db2.gz QINXXBJEDSOXPF-UHFFFAOYSA-N 1 2 347.338 3.171 10 5 EGBELO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000125175956 162266448 /nfs/dbraw/zinc/26/64/48/162266448.db2.gz FJHOVNPAWMKWCN-QGZVFWFLSA-N 1 2 348.424 3.499 10 5 EGBELO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000125175956 162266450 /nfs/dbraw/zinc/26/64/50/162266450.db2.gz FJHOVNPAWMKWCN-QGZVFWFLSA-N 1 2 348.424 3.499 10 5 EGBELO Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000359008830 167036608 /nfs/dbraw/zinc/03/66/08/167036608.db2.gz ZXGMYOHSYZVDIX-UHFFFAOYSA-N 1 2 337.282 3.460 10 5 EGBELO C[C@H](c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1)C1CC1 ZINC000273930138 267144619 /nfs/dbraw/zinc/14/46/19/267144619.db2.gz IMOLLFGLZOCPIH-JTQLQIEISA-N 1 2 325.328 3.344 10 5 EGBELO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000289652627 276372687 /nfs/dbraw/zinc/37/26/87/276372687.db2.gz LTFRXTJZTOJLOE-UHFFFAOYSA-N 1 2 349.778 3.383 10 5 EGBELO C[C@@H]1CC(C)(C)CN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000413555199 309037219 /nfs/dbraw/zinc/03/72/19/309037219.db2.gz CTORPXOTMFHWTJ-CQSZACIVSA-N 1 2 333.432 3.052 10 5 EGBELO CC(C)(C)[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413222151 309022306 /nfs/dbraw/zinc/02/23/06/309022306.db2.gz KCXZCUPUPQWCPX-CVEARBPZSA-N 1 2 329.400 3.376 10 5 EGBELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449671007 310079442 /nfs/dbraw/zinc/07/94/42/310079442.db2.gz YPVUOHJAZOBOAY-LLVKDONJSA-N 1 2 349.328 3.050 10 5 EGBELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000449671007 310079443 /nfs/dbraw/zinc/07/94/43/310079443.db2.gz YPVUOHJAZOBOAY-LLVKDONJSA-N 1 2 349.328 3.050 10 5 EGBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](C2CC2)C1 ZINC000451782041 310197028 /nfs/dbraw/zinc/19/70/28/310197028.db2.gz AKIPNLQXKKMVHM-HNNXBMFYSA-N 1 2 340.383 3.043 10 5 EGBELO CCc1cccc(F)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000453577514 310282719 /nfs/dbraw/zinc/28/27/19/310282719.db2.gz OUBMAWSYEUPOIG-UHFFFAOYSA-N 1 2 344.390 3.014 10 5 EGBELO CC[C@@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000455476220 310362576 /nfs/dbraw/zinc/36/25/76/310362576.db2.gz SPGHKFVNIMADSZ-IUODEOHRSA-N 1 2 345.403 3.323 10 5 EGBELO CC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000185079094 323687544 /nfs/dbraw/zinc/68/75/44/323687544.db2.gz XOGIJIKVGVZFHN-GFCCVEGCSA-N 1 2 334.401 3.039 10 5 EGBELO O=[N+]([O-])c1ccn(C2CCN(c3[nH+]ccc4cc(F)ccc43)CC2)n1 ZINC000581545597 325370730 /nfs/dbraw/zinc/37/07/30/325370730.db2.gz STMAASHHLLAEGQ-UHFFFAOYSA-N 1 2 341.346 3.320 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000089886154 454225758 /nfs/dbraw/zinc/22/57/58/454225758.db2.gz HDNFQEWTCWLYPY-DLBZAZTESA-N 1 2 343.383 3.393 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000089886154 454225762 /nfs/dbraw/zinc/22/57/62/454225762.db2.gz HDNFQEWTCWLYPY-DLBZAZTESA-N 1 2 343.383 3.393 10 5 EGBELO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120680193 454334352 /nfs/dbraw/zinc/33/43/52/454334352.db2.gz DIJHFFVZMUXBAA-UHFFFAOYSA-N 1 2 345.399 3.201 10 5 EGBELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120680193 454334358 /nfs/dbraw/zinc/33/43/58/454334358.db2.gz DIJHFFVZMUXBAA-UHFFFAOYSA-N 1 2 345.399 3.201 10 5 EGBELO C[C@H]1CCCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000074662479 454614601 /nfs/dbraw/zinc/61/46/01/454614601.db2.gz WWKDFWNKNSSMJF-ZDUSSCGKSA-N 1 2 328.372 3.185 10 5 EGBELO COc1cccc([C@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000093079755 454678294 /nfs/dbraw/zinc/67/82/94/454678294.db2.gz QQBMVLRNRMRRJU-LJQANCHMSA-N 1 2 342.395 3.485 10 5 EGBELO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)c1 ZINC000093079755 454678298 /nfs/dbraw/zinc/67/82/98/454678298.db2.gz QQBMVLRNRMRRJU-LJQANCHMSA-N 1 2 342.395 3.485 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000093683946 454728274 /nfs/dbraw/zinc/72/82/74/454728274.db2.gz UFGZCJAERKCABT-MRXNPFEDSA-N 1 2 342.395 3.339 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000093683946 454728278 /nfs/dbraw/zinc/72/82/78/454728278.db2.gz UFGZCJAERKCABT-MRXNPFEDSA-N 1 2 342.395 3.339 10 5 EGBELO COc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000179621444 455061759 /nfs/dbraw/zinc/06/17/59/455061759.db2.gz URHPOMPLCDCZOO-LLVKDONJSA-N 1 2 348.321 3.386 10 5 EGBELO COc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000179621444 455061764 /nfs/dbraw/zinc/06/17/64/455061764.db2.gz URHPOMPLCDCZOO-LLVKDONJSA-N 1 2 348.321 3.386 10 5 EGBELO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156588538 455136320 /nfs/dbraw/zinc/13/63/20/455136320.db2.gz CAEDVLBILNWNPZ-LBPRGKRZSA-N 1 2 338.379 3.288 10 5 EGBELO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156588538 455136324 /nfs/dbraw/zinc/13/63/24/455136324.db2.gz CAEDVLBILNWNPZ-LBPRGKRZSA-N 1 2 338.379 3.288 10 5 EGBELO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000180399408 455163828 /nfs/dbraw/zinc/16/38/28/455163828.db2.gz OIXYQUDQBRHSSI-ZDUSSCGKSA-N 1 2 337.383 3.241 10 5 EGBELO CCO[C@H](C)c1noc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181557792 455355547 /nfs/dbraw/zinc/35/55/47/455355547.db2.gz OHGUSFKFSAVIQE-RISCZKNCSA-N 1 2 334.376 3.316 10 5 EGBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182113405 455438156 /nfs/dbraw/zinc/43/81/56/455438156.db2.gz KNDAPSRIALOQQK-CYBMUJFWSA-N 1 2 339.823 3.129 10 5 EGBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182113405 455438162 /nfs/dbraw/zinc/43/81/62/455438162.db2.gz KNDAPSRIALOQQK-CYBMUJFWSA-N 1 2 339.823 3.129 10 5 EGBELO Cn1nccc1C1=CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000285630008 455884564 /nfs/dbraw/zinc/88/45/64/455884564.db2.gz NVUPUBLYFKLRGI-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO Cn1nccc1C1=CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000285630008 455884570 /nfs/dbraw/zinc/88/45/70/455884570.db2.gz NVUPUBLYFKLRGI-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO CC(C)[N@H+](Cc1nnc(C2CC2)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195107172 455921889 /nfs/dbraw/zinc/92/18/89/455921889.db2.gz NTFQZGDLDDNRRO-UHFFFAOYSA-N 1 2 329.404 3.011 10 5 EGBELO CC(C)[N@@H+](Cc1nnc(C2CC2)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195107172 455921895 /nfs/dbraw/zinc/92/18/95/455921895.db2.gz NTFQZGDLDDNRRO-UHFFFAOYSA-N 1 2 329.404 3.011 10 5 EGBELO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000301259569 456074638 /nfs/dbraw/zinc/07/46/38/456074638.db2.gz OGHTWGCWQWHBPI-GFCCVEGCSA-N 1 2 348.353 3.345 10 5 EGBELO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000301259569 456074642 /nfs/dbraw/zinc/07/46/42/456074642.db2.gz OGHTWGCWQWHBPI-GFCCVEGCSA-N 1 2 348.353 3.345 10 5 EGBELO Cc1ccccc1OCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353000903 456440268 /nfs/dbraw/zinc/44/02/68/456440268.db2.gz OOSSPRCOHVZTMT-UHFFFAOYSA-N 1 2 327.384 3.125 10 5 EGBELO Cc1ccccc1OCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000353000903 456440274 /nfs/dbraw/zinc/44/02/74/456440274.db2.gz OOSSPRCOHVZTMT-UHFFFAOYSA-N 1 2 327.384 3.125 10 5 EGBELO CC[C@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000283002030 456686683 /nfs/dbraw/zinc/68/66/83/456686683.db2.gz FRMDFBBCALUOTH-AWEZNQCLSA-N 1 2 349.822 3.345 10 5 EGBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000344152658 456802142 /nfs/dbraw/zinc/80/21/42/456802142.db2.gz HVBMQHQDXKEAAO-UHFFFAOYSA-N 1 2 330.315 3.107 10 5 EGBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000344152658 456802147 /nfs/dbraw/zinc/80/21/47/456802147.db2.gz HVBMQHQDXKEAAO-UHFFFAOYSA-N 1 2 330.315 3.107 10 5 EGBELO COc1cc(C[NH2+]C2(c3noc(C)n3)CCCCC2)ccc1[N+](=O)[O-] ZINC000352535745 457446301 /nfs/dbraw/zinc/44/63/01/457446301.db2.gz VCSHCUYKYIUJRY-UHFFFAOYSA-N 1 2 346.387 3.244 10 5 EGBELO O=C(NC1(C2CCC2)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000458240012 457983956 /nfs/dbraw/zinc/98/39/56/457983956.db2.gz PNRSTVKXIRIYMH-UHFFFAOYSA-N 1 2 340.383 3.233 10 5 EGBELO CC[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000376022446 458167906 /nfs/dbraw/zinc/16/79/06/458167906.db2.gz SQLVUDOBPZYIGI-XJKSGUPXSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000376022446 458167913 /nfs/dbraw/zinc/16/79/13/458167913.db2.gz SQLVUDOBPZYIGI-XJKSGUPXSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373813646 458611643 /nfs/dbraw/zinc/61/16/43/458611643.db2.gz UWUDBSMCVHJSMG-GDBMZVCRSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373813646 458611647 /nfs/dbraw/zinc/61/16/47/458611647.db2.gz UWUDBSMCVHJSMG-GDBMZVCRSA-N 1 2 340.807 3.018 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470955573 458668695 /nfs/dbraw/zinc/66/86/95/458668695.db2.gz MKMNEQMIGVCRGV-ZYHUDNBSSA-N 1 2 345.321 3.114 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470955573 458668701 /nfs/dbraw/zinc/66/87/01/458668701.db2.gz MKMNEQMIGVCRGV-ZYHUDNBSSA-N 1 2 345.321 3.114 10 5 EGBELO CCCCc1[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000532137055 459035171 /nfs/dbraw/zinc/03/51/71/459035171.db2.gz AXLUQUPAVKQPHW-UHFFFAOYSA-N 1 2 339.355 3.461 10 5 EGBELO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000559349942 459254539 /nfs/dbraw/zinc/25/45/39/459254539.db2.gz VLEIGEYUROQPTI-DTWKUNHWSA-N 1 2 346.168 3.040 10 5 EGBELO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000559349942 459254542 /nfs/dbraw/zinc/25/45/42/459254542.db2.gz VLEIGEYUROQPTI-DTWKUNHWSA-N 1 2 346.168 3.040 10 5 EGBELO Cc1noc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595386370 459288368 /nfs/dbraw/zinc/28/83/68/459288368.db2.gz DOBUVEULSXGJQB-AWEZNQCLSA-N 1 2 347.346 3.268 10 5 EGBELO Cc1noc(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595386370 459288374 /nfs/dbraw/zinc/28/83/74/459288374.db2.gz DOBUVEULSXGJQB-AWEZNQCLSA-N 1 2 347.346 3.268 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccco2)CC1 ZINC000595616168 459369543 /nfs/dbraw/zinc/36/95/43/459369543.db2.gz POVISUCAGRLAOL-CYBMUJFWSA-N 1 2 343.383 3.394 10 5 EGBELO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1)OCCO2 ZINC000591640248 459416442 /nfs/dbraw/zinc/41/64/42/459416442.db2.gz ZBKMXTXBBNSOGG-QZTJIDSGSA-N 1 2 344.342 3.093 10 5 EGBELO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595757246 459427750 /nfs/dbraw/zinc/42/77/50/459427750.db2.gz CAHWGVLKNYIODJ-GOSISDBHSA-N 1 2 330.359 3.350 10 5 EGBELO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595757246 459427753 /nfs/dbraw/zinc/42/77/53/459427753.db2.gz CAHWGVLKNYIODJ-GOSISDBHSA-N 1 2 330.359 3.350 10 5 EGBELO Cc1c(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595891949 459478739 /nfs/dbraw/zinc/47/87/39/459478739.db2.gz RNWNQRDXVDMWFJ-GXFFZTMASA-N 1 2 332.322 3.445 10 5 EGBELO Cc1c(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000595891949 459478741 /nfs/dbraw/zinc/47/87/41/459478741.db2.gz RNWNQRDXVDMWFJ-GXFFZTMASA-N 1 2 332.322 3.445 10 5 EGBELO C[N@@H+]1CCO[C@@H](CSc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000591953760 459496414 /nfs/dbraw/zinc/49/64/14/459496414.db2.gz QOYKQTOEFQZWAH-SECBINFHSA-N 1 2 337.228 3.324 10 5 EGBELO C[N@H+]1CCO[C@@H](CSc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000591953760 459496422 /nfs/dbraw/zinc/49/64/22/459496422.db2.gz QOYKQTOEFQZWAH-SECBINFHSA-N 1 2 337.228 3.324 10 5 EGBELO COC(=O)Cc1cc[nH+]c(NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000596187546 459553527 /nfs/dbraw/zinc/55/35/27/459553527.db2.gz QHNOANDUALXMHO-UHFFFAOYSA-N 1 2 349.774 3.013 10 5 EGBELO COC1CC(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000596311723 459592257 /nfs/dbraw/zinc/59/22/57/459592257.db2.gz QSYWQSZWABGWLC-UHFFFAOYSA-N 1 2 342.399 3.009 10 5 EGBELO Cc1ccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)cc1[N+](=O)[O-] ZINC000593295803 459832590 /nfs/dbraw/zinc/83/25/90/459832590.db2.gz TXJYPEXDUUJNOS-UHFFFAOYSA-N 1 2 339.355 3.077 10 5 EGBELO CC(C)c1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000593696071 459956539 /nfs/dbraw/zinc/95/65/39/459956539.db2.gz CCFVLBIAZWUPDP-IAGOWNOFSA-N 1 2 334.416 3.096 10 5 EGBELO CC(C)c1ccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000593696071 459956543 /nfs/dbraw/zinc/95/65/43/459956543.db2.gz CCFVLBIAZWUPDP-IAGOWNOFSA-N 1 2 334.416 3.096 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccccc2F)c1 ZINC000589494419 460094633 /nfs/dbraw/zinc/09/46/33/460094633.db2.gz JHUGDONPNDBSJM-UHFFFAOYSA-N 1 2 332.331 3.153 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccccc2F)c1 ZINC000589494419 460094639 /nfs/dbraw/zinc/09/46/39/460094639.db2.gz JHUGDONPNDBSJM-UHFFFAOYSA-N 1 2 332.331 3.153 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000599059189 460145651 /nfs/dbraw/zinc/14/56/51/460145651.db2.gz OQTYVXRTAGCODV-GJZGRUSLSA-N 1 2 327.384 3.396 10 5 EGBELO Cn1nc2c(c1CNc1ccc3c[nH+]ccc3c1[N+](=O)[O-])CCCC2 ZINC000599079321 460154186 /nfs/dbraw/zinc/15/41/86/460154186.db2.gz DOFVJLWBUZISQA-UHFFFAOYSA-N 1 2 337.383 3.367 10 5 EGBELO COC(=O)[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])CC1CC1 ZINC000599095834 460160630 /nfs/dbraw/zinc/16/06/30/460160630.db2.gz IJWCQYPZJCFHGC-ZDUSSCGKSA-N 1 2 329.356 3.144 10 5 EGBELO Cc1cc[nH+]c([C@@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)c1 ZINC000599099676 460161463 /nfs/dbraw/zinc/16/14/63/460161463.db2.gz JDEAPZHZSSUDSZ-LLVKDONJSA-N 1 2 341.396 3.297 10 5 EGBELO COC(=O)C[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599104487 460163341 /nfs/dbraw/zinc/16/33/41/460163341.db2.gz BSMRBAMBXNWVLX-ZDUSSCGKSA-N 1 2 329.356 3.144 10 5 EGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611617556 460414922 /nfs/dbraw/zinc/41/49/22/460414922.db2.gz KTJVYRWRDMXFLN-UHFFFAOYSA-N 1 2 348.265 3.096 10 5 EGBELO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872079457 1296722981 /nfs/dbraw/zinc/72/29/81/1296722981.db2.gz YRJQRKUTHYPCOQ-NEPJUHHUSA-N 1 2 346.362 3.115 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)c(Cl)c1 ZINC000934211298 1329956054 /nfs/dbraw/zinc/95/60/54/1329956054.db2.gz HCCMMXAYCXBHQW-SJKOYZFVSA-N 1 2 348.786 3.080 10 5 EGBELO O=C(N[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001130882012 1373601967 /nfs/dbraw/zinc/60/19/67/1373601967.db2.gz VPQAIADUYQIIOK-MRXNPFEDSA-N 1 2 348.362 3.198 10 5 EGBELO Cc1[nH]c([C@@H]2CCCN2c2ncnc3ccc([N+](=O)[O-])cc32)[nH+]c1C ZINC001307208831 1383957479 /nfs/dbraw/zinc/95/74/79/1383957479.db2.gz NQDAPLHOUAHBIK-HNNXBMFYSA-N 1 2 338.371 3.219 10 5 EGBELO C[C@](CO)([NH2+]Cc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC001175324843 1385253607 /nfs/dbraw/zinc/25/36/07/1385253607.db2.gz WFIAYTNRRQINSE-QGZVFWFLSA-N 1 2 343.408 3.202 10 5 EGBELO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1F ZINC001350199789 1391428636 /nfs/dbraw/zinc/42/86/36/1391428636.db2.gz OCCRQQHHGOOCRI-UHFFFAOYSA-N 1 2 340.314 3.480 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080912138 217339532 /nfs/dbraw/zinc/33/95/32/217339532.db2.gz MEDUPRFSNQEBKO-LLVKDONJSA-N 1 2 348.790 3.102 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080912138 217339533 /nfs/dbraw/zinc/33/95/33/217339533.db2.gz MEDUPRFSNQEBKO-LLVKDONJSA-N 1 2 348.790 3.102 10 5 EGBELO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119075974 221238533 /nfs/dbraw/zinc/23/85/33/221238533.db2.gz HJGCVLYDNYPZIJ-SFHVURJKSA-N 1 2 328.368 3.177 10 5 EGBELO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000119075974 221238536 /nfs/dbraw/zinc/23/85/36/221238536.db2.gz HJGCVLYDNYPZIJ-SFHVURJKSA-N 1 2 328.368 3.177 10 5 EGBELO Cc1cn2cc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000351772978 144304597 /nfs/dbraw/zinc/30/45/97/144304597.db2.gz KYAHQXORZVDWQR-UHFFFAOYSA-N 1 2 338.367 3.467 10 5 EGBELO COc1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000184260083 286218562 /nfs/dbraw/zinc/21/85/62/286218562.db2.gz XOCHQRBWXBZKGP-CQSZACIVSA-N 1 2 334.351 3.193 10 5 EGBELO COc1cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000184260083 286218563 /nfs/dbraw/zinc/21/85/63/286218563.db2.gz XOCHQRBWXBZKGP-CQSZACIVSA-N 1 2 334.351 3.193 10 5 EGBELO C[C@H](c1cccnc1)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118836521 152156723 /nfs/dbraw/zinc/15/67/23/152156723.db2.gz NNFXLVYUJKPBCH-HZPDHXFCSA-N 1 2 340.427 3.430 10 5 EGBELO COc1cc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000352778192 156482980 /nfs/dbraw/zinc/48/29/80/156482980.db2.gz JNKFMQTZKPBVMI-HNNXBMFYSA-N 1 2 346.387 3.351 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175733485 265132312 /nfs/dbraw/zinc/13/23/12/265132312.db2.gz RBDONDBSJJUNLC-CYBMUJFWSA-N 1 2 345.403 3.008 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(CO)CC4(CCC4)C3)c2c1 ZINC000413258186 309023888 /nfs/dbraw/zinc/02/38/88/309023888.db2.gz BWPCJBLSDRTJAU-UHFFFAOYSA-N 1 2 327.384 3.498 10 5 EGBELO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)c2ccccc2)c1 ZINC000453272234 310268339 /nfs/dbraw/zinc/26/83/39/310268339.db2.gz HWFJHUXZCSEPJM-GOSISDBHSA-N 1 2 349.394 3.470 10 5 EGBELO C[C@H]1C[C@H](C)[NH+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548424344 315008139 /nfs/dbraw/zinc/00/81/39/315008139.db2.gz QZECVFMOYKWYIW-QWRGUYRKSA-N 1 2 346.412 3.140 10 5 EGBELO Cc1sc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC000029907816 453832663 /nfs/dbraw/zinc/83/26/63/453832663.db2.gz GNVMKHZXZJDIHI-UHFFFAOYSA-N 1 2 328.353 3.403 10 5 EGBELO C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000075292472 453876497 /nfs/dbraw/zinc/87/64/97/453876497.db2.gz XVSCMKFZQQYIEA-QWHCGFSZSA-N 1 2 328.372 3.041 10 5 EGBELO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066851607 453880246 /nfs/dbraw/zinc/88/02/46/453880246.db2.gz YCZFCTMFGIHRBH-BEFAXECRSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066851607 453880248 /nfs/dbraw/zinc/88/02/48/453880248.db2.gz YCZFCTMFGIHRBH-BEFAXECRSA-N 1 2 342.395 3.436 10 5 EGBELO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120664016 454331959 /nfs/dbraw/zinc/33/19/59/454331959.db2.gz KQGGBRATFCZMBA-UHFFFAOYSA-N 1 2 345.399 3.201 10 5 EGBELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120664016 454331964 /nfs/dbraw/zinc/33/19/64/454331964.db2.gz KQGGBRATFCZMBA-UHFFFAOYSA-N 1 2 345.399 3.201 10 5 EGBELO Cc1ccc(NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000153325325 454782749 /nfs/dbraw/zinc/78/27/49/454782749.db2.gz PLGFXNGRMRIQTP-UHFFFAOYSA-N 1 2 339.395 3.208 10 5 EGBELO Cc1ccc(NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000153325325 454782751 /nfs/dbraw/zinc/78/27/51/454782751.db2.gz PLGFXNGRMRIQTP-UHFFFAOYSA-N 1 2 339.395 3.208 10 5 EGBELO C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000125648208 454837071 /nfs/dbraw/zinc/83/70/71/454837071.db2.gz ICGSKPDHDIQCQS-ABAIWWIYSA-N 1 2 348.790 3.168 10 5 EGBELO COC(=O)[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154515604 454904016 /nfs/dbraw/zinc/90/40/16/454904016.db2.gz LHOMZIBCIRZESJ-RDTXWAMCSA-N 1 2 342.395 3.420 10 5 EGBELO Cc1csc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000170790538 454978077 /nfs/dbraw/zinc/97/80/77/454978077.db2.gz KCIDQILLGRZFEO-SNVBAGLBSA-N 1 2 335.385 3.077 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000156002523 455071637 /nfs/dbraw/zinc/07/16/37/455071637.db2.gz NETBSXPFAHCYOV-UHFFFAOYSA-N 1 2 331.376 3.077 10 5 EGBELO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000173928298 455341978 /nfs/dbraw/zinc/34/19/78/455341978.db2.gz WHVNTDLYRFXUHD-CYBMUJFWSA-N 1 2 336.351 3.272 10 5 EGBELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000161124214 455537527 /nfs/dbraw/zinc/53/75/27/455537527.db2.gz IRPFSHWRSZVQDR-QWRGUYRKSA-N 1 2 334.401 3.119 10 5 EGBELO CCOC(=O)c1csc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296532822 455966075 /nfs/dbraw/zinc/96/60/75/455966075.db2.gz DIZWKGZCQYOMIM-JTQLQIEISA-N 1 2 335.385 3.079 10 5 EGBELO O=[N+]([O-])c1cc2c(ncnc2Nc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000286087881 455974513 /nfs/dbraw/zinc/97/45/13/455974513.db2.gz KDRVADVTCBXCBM-UHFFFAOYSA-N 1 2 342.384 3.338 10 5 EGBELO Cc1cn2cc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000346030637 457013898 /nfs/dbraw/zinc/01/38/98/457013898.db2.gz CGYPBXOGZLLNLL-UHFFFAOYSA-N 1 2 330.731 3.457 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1CNc1[nH]c2cc(F)ccc2[nH+]1 ZINC000362647883 457025823 /nfs/dbraw/zinc/02/58/23/457025823.db2.gz FSZBFUFNJOUZHP-UHFFFAOYSA-N 1 2 330.319 3.043 10 5 EGBELO COc1cc(CNc2ccc(C3CCC3)c[nH+]2)cc([N+](=O)[O-])c1O ZINC000339565487 457145853 /nfs/dbraw/zinc/14/58/53/457145853.db2.gz SFBDUNMROCUHOX-UHFFFAOYSA-N 1 2 329.356 3.006 10 5 EGBELO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000370412746 457642148 /nfs/dbraw/zinc/64/21/48/457642148.db2.gz KHVYXEAVCGEDEZ-UHFFFAOYSA-N 1 2 329.747 3.441 10 5 EGBELO COc1cc(C[NH+]2CC(c3ccccc3F)C2)c([N+](=O)[O-])cc1OC ZINC000361236347 457661271 /nfs/dbraw/zinc/66/12/71/457661271.db2.gz DTJHDGUOKPXONL-UHFFFAOYSA-N 1 2 346.358 3.351 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000375913386 458122298 /nfs/dbraw/zinc/12/22/98/458122298.db2.gz IUALFQMCUKGJMK-GFCCVEGCSA-N 1 2 342.399 3.290 10 5 EGBELO COc1cc(CNc2c[nH+]cc3c2CCCC3)c([N+](=O)[O-])cc1O ZINC000594742139 459148819 /nfs/dbraw/zinc/14/88/19/459148819.db2.gz KJAHCOYLZBPHEG-UHFFFAOYSA-N 1 2 329.356 3.195 10 5 EGBELO Cc1noc(C[NH+]2CC(c3nc4ccccc4s3)C2)c1[N+](=O)[O-] ZINC000595402865 459290644 /nfs/dbraw/zinc/29/06/44/459290644.db2.gz FTCWLINFJNMONY-UHFFFAOYSA-N 1 2 330.369 3.100 10 5 EGBELO CC(C)c1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000569458623 459454787 /nfs/dbraw/zinc/45/47/87/459454787.db2.gz DCWCCSGTSBZQAF-QGZVFWFLSA-N 1 2 336.457 3.426 10 5 EGBELO CC(C)c1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000569458623 459454791 /nfs/dbraw/zinc/45/47/91/459454791.db2.gz DCWCCSGTSBZQAF-QGZVFWFLSA-N 1 2 336.457 3.426 10 5 EGBELO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919678 459487457 /nfs/dbraw/zinc/48/74/57/459487457.db2.gz RCRPPTTWAUUBGF-BDJLRTHQSA-N 1 2 344.358 3.238 10 5 EGBELO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919678 459487460 /nfs/dbraw/zinc/48/74/60/459487460.db2.gz RCRPPTTWAUUBGF-BDJLRTHQSA-N 1 2 344.358 3.238 10 5 EGBELO CCc1nc([C@H](C)[NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])cs1 ZINC000593024554 459745171 /nfs/dbraw/zinc/74/51/71/459745171.db2.gz MWVUQCAFUBYDPY-JTQLQIEISA-N 1 2 349.412 3.251 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1F)[C@@H](C)O ZINC000593660034 459943045 /nfs/dbraw/zinc/94/30/45/459943045.db2.gz YXALXXPMWLGFRP-KZULUSFZSA-N 1 2 348.374 3.344 10 5 EGBELO O=C(C[NH2+][C@H](C(F)F)C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000598651163 459977553 /nfs/dbraw/zinc/97/75/53/459977553.db2.gz WUBJZTLZUKUILE-HNNXBMFYSA-N 1 2 341.358 3.337 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H](CC(F)(F)F)C1 ZINC000599110550 460164277 /nfs/dbraw/zinc/16/42/77/460164277.db2.gz AFCCVUNGTPVBHM-LLVKDONJSA-N 1 2 341.289 3.301 10 5 EGBELO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872047416 1296697390 /nfs/dbraw/zinc/69/73/90/1296697390.db2.gz BNOSHUGGKZZFFS-DOMZBBRYSA-N 1 2 349.406 3.318 10 5 EGBELO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872047418 1296698843 /nfs/dbraw/zinc/69/88/43/1296698843.db2.gz BNOSHUGGKZZFFS-SWLSCSKDSA-N 1 2 349.406 3.318 10 5 EGBELO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051204 1296701697 /nfs/dbraw/zinc/70/16/97/1296701697.db2.gz ISDIMEBNUYJGGV-LLVKDONJSA-N 1 2 334.395 3.443 10 5 EGBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccsc1 ZINC001128488798 1373276989 /nfs/dbraw/zinc/27/69/89/1373276989.db2.gz URKBZGKOBNLILL-LLVKDONJSA-N 1 2 342.380 3.333 10 5 EGBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001153455487 1380080168 /nfs/dbraw/zinc/08/01/68/1380080168.db2.gz LEKDCLKONJSONU-UHFFFAOYSA-N 1 2 340.339 3.157 10 5 EGBELO O=C(c1cc2c[nH+]ccc2[nH]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001295351157 1382614062 /nfs/dbraw/zinc/61/40/62/1382614062.db2.gz QGEWUQVXCYWYJT-UHFFFAOYSA-N 1 2 336.351 3.276 10 5 EGBELO Nc1[nH+]cccc1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001163327302 1383022860 /nfs/dbraw/zinc/02/28/60/1383022860.db2.gz QYDKPVWQKIGLCV-UHFFFAOYSA-N 1 2 339.330 3.385 10 5 EGBELO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001347488973 1391082970 /nfs/dbraw/zinc/08/29/70/1391082970.db2.gz XGOYUJDRBZYJIO-UHFFFAOYSA-N 1 2 348.790 3.066 10 5 EGBELO Cc1cc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001348317690 1391205451 /nfs/dbraw/zinc/20/54/51/1391205451.db2.gz MWGUMNHLHYBKBG-GFCCVEGCSA-N 1 2 342.277 3.232 10 5 EGBELO COc1cccc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)c1 ZINC000119035119 221227875 /nfs/dbraw/zinc/22/78/75/221227875.db2.gz HWWCXUYWVNQCQL-IBGZPJMESA-N 1 2 342.395 3.485 10 5 EGBELO COc1cccc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)c1 ZINC000119035119 221227879 /nfs/dbraw/zinc/22/78/79/221227879.db2.gz HWWCXUYWVNQCQL-IBGZPJMESA-N 1 2 342.395 3.485 10 5 EGBELO CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000347916781 141216472 /nfs/dbraw/zinc/21/64/72/141216472.db2.gz KHAQTAINQOIHSK-NSHDSACASA-N 1 2 334.401 3.039 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000361724351 144355671 /nfs/dbraw/zinc/35/56/71/144355671.db2.gz BSZQIOUALOPYKE-ACJLOTCBSA-N 1 2 328.368 3.435 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000361724351 144355672 /nfs/dbraw/zinc/35/56/72/144355672.db2.gz BSZQIOUALOPYKE-ACJLOTCBSA-N 1 2 328.368 3.435 10 5 EGBELO C[C@H](c1cccnc1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118836519 152156209 /nfs/dbraw/zinc/15/62/09/152156209.db2.gz NNFXLVYUJKPBCH-JKSUJKDBSA-N 1 2 340.427 3.430 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278755037 275271847 /nfs/dbraw/zinc/27/18/47/275271847.db2.gz MIGOVTGEHBLIGC-NSHDSACASA-N 1 2 345.321 3.116 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278755037 275271849 /nfs/dbraw/zinc/27/18/49/275271849.db2.gz MIGOVTGEHBLIGC-NSHDSACASA-N 1 2 345.321 3.116 10 5 EGBELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353460880 297163206 /nfs/dbraw/zinc/16/32/06/297163206.db2.gz LVBOZLMVEBCDMG-FZKQIMNGSA-N 1 2 328.368 3.262 10 5 EGBELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353460880 297163207 /nfs/dbraw/zinc/16/32/07/297163207.db2.gz LVBOZLMVEBCDMG-FZKQIMNGSA-N 1 2 328.368 3.262 10 5 EGBELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000161086621 307898371 /nfs/dbraw/zinc/89/83/71/307898371.db2.gz YJDIJCOVCKBUAG-GXFFZTMASA-N 1 2 334.401 3.119 10 5 EGBELO CCn1cc[nH+]c1CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000295065873 308286949 /nfs/dbraw/zinc/28/69/49/308286949.db2.gz VWCMFBLXUKZFNX-UHFFFAOYSA-N 1 2 339.193 3.494 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000413206879 309021532 /nfs/dbraw/zinc/02/15/32/309021532.db2.gz QFJNFJUOTANBAO-LSDHHAIUSA-N 1 2 327.384 3.396 10 5 EGBELO CC[C@H]1C[C@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000420623372 309290572 /nfs/dbraw/zinc/29/05/72/309290572.db2.gz VBIUHHKMKWRKPV-ZBFHGGJFSA-N 1 2 342.399 3.152 10 5 EGBELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171625449 323243570 /nfs/dbraw/zinc/24/35/70/323243570.db2.gz DSRRBQKNJYFTJO-WPGHFRTFSA-N 1 2 336.363 3.040 10 5 EGBELO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171625449 323243575 /nfs/dbraw/zinc/24/35/75/323243575.db2.gz DSRRBQKNJYFTJO-WPGHFRTFSA-N 1 2 336.363 3.040 10 5 EGBELO C[N@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015298578 453565684 /nfs/dbraw/zinc/56/56/84/453565684.db2.gz OKFWSSSUIHJLMD-UHFFFAOYSA-N 1 2 332.331 3.232 10 5 EGBELO C[N@@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015298578 453565689 /nfs/dbraw/zinc/56/56/89/453565689.db2.gz OKFWSSSUIHJLMD-UHFFFAOYSA-N 1 2 332.331 3.232 10 5 EGBELO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])s3)c[nH+]2)C[C@@H](C)O1 ZINC000066410789 453842515 /nfs/dbraw/zinc/84/25/15/453842515.db2.gz SBMRQLXSOFQROZ-VXGBXAGGSA-N 1 2 348.428 3.277 10 5 EGBELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000076008706 453948816 /nfs/dbraw/zinc/94/88/16/453948816.db2.gz VZPGJLGHUDLMPP-LBPRGKRZSA-N 1 2 341.433 3.145 10 5 EGBELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000076008706 453948819 /nfs/dbraw/zinc/94/88/19/453948819.db2.gz VZPGJLGHUDLMPP-LBPRGKRZSA-N 1 2 341.433 3.145 10 5 EGBELO C[C@@H]1CN(c2ccc(CNc3ccsc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000067913167 453980001 /nfs/dbraw/zinc/98/00/01/453980001.db2.gz MMQFLUPXEVHQSO-VXGBXAGGSA-N 1 2 348.428 3.277 10 5 EGBELO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000073605905 454457750 /nfs/dbraw/zinc/45/77/50/454457750.db2.gz XVRBSNAUDYFZTE-ZDUSSCGKSA-N 1 2 331.372 3.264 10 5 EGBELO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000073605905 454457755 /nfs/dbraw/zinc/45/77/55/454457755.db2.gz XVRBSNAUDYFZTE-ZDUSSCGKSA-N 1 2 331.372 3.264 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(NCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000092583594 454589404 /nfs/dbraw/zinc/58/94/04/454589404.db2.gz BPRYQTPNYZJSSH-UHFFFAOYSA-N 1 2 330.319 3.273 10 5 EGBELO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000127109526 454939127 /nfs/dbraw/zinc/93/91/27/454939127.db2.gz CVEPPVDQKICHIJ-UHFFFAOYSA-N 1 2 335.367 3.270 10 5 EGBELO COc1cc(C[N@@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000171696083 455086989 /nfs/dbraw/zinc/08/69/89/455086989.db2.gz VNJHPDMUYDZXQC-VIFPVBQESA-N 1 2 348.371 3.142 10 5 EGBELO COc1cc(C[N@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000171696083 455086992 /nfs/dbraw/zinc/08/69/92/455086992.db2.gz VNJHPDMUYDZXQC-VIFPVBQESA-N 1 2 348.371 3.142 10 5 EGBELO CC1CCN(c2ccc(CNc3ncc(F)cc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000601104713 460712406 /nfs/dbraw/zinc/71/24/06/460712406.db2.gz DNALDYGTWIBTMB-UHFFFAOYSA-N 1 2 345.378 3.372 10 5 EGBELO CCOc1cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281193143 456160806 /nfs/dbraw/zinc/16/08/06/456160806.db2.gz ABVBZAZJWCKIAK-MRXNPFEDSA-N 1 2 344.415 3.454 10 5 EGBELO CCOc1cc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281193143 456160811 /nfs/dbraw/zinc/16/08/11/456160811.db2.gz ABVBZAZJWCKIAK-MRXNPFEDSA-N 1 2 344.415 3.454 10 5 EGBELO COc1cc(C[N@H+](CC(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000352775166 456295690 /nfs/dbraw/zinc/29/56/90/456295690.db2.gz YEHDWQCXFGWJSE-UHFFFAOYSA-N 1 2 338.404 3.156 10 5 EGBELO COc1cc(C[N@@H+](CC(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000352775166 456295697 /nfs/dbraw/zinc/29/56/97/456295697.db2.gz YEHDWQCXFGWJSE-UHFFFAOYSA-N 1 2 338.404 3.156 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000352544611 457454923 /nfs/dbraw/zinc/45/49/23/457454923.db2.gz BKYUTKWXHLKATI-INIZCTEOSA-N 1 2 334.397 3.238 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000352544611 457454930 /nfs/dbraw/zinc/45/49/30/457454930.db2.gz BKYUTKWXHLKATI-INIZCTEOSA-N 1 2 334.397 3.238 10 5 EGBELO Cc1cc(N2CC(CC(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000425275573 457479602 /nfs/dbraw/zinc/47/96/02/457479602.db2.gz AXEDIVCJDAELPC-UHFFFAOYSA-N 1 2 334.326 3.452 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361063723 457558504 /nfs/dbraw/zinc/55/85/04/457558504.db2.gz UXMHAHHVVQUOER-QWHCGFSZSA-N 1 2 325.368 3.499 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361063723 457558511 /nfs/dbraw/zinc/55/85/11/457558511.db2.gz UXMHAHHVVQUOER-QWHCGFSZSA-N 1 2 325.368 3.499 10 5 EGBELO CC1(C)C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361508524 457760286 /nfs/dbraw/zinc/76/02/86/457760286.db2.gz NBDLKSFYNYAXMI-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361508524 457760294 /nfs/dbraw/zinc/76/02/94/457760294.db2.gz NBDLKSFYNYAXMI-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@@H](C4CCC4)C3)co2)cc1 ZINC000411843890 457990778 /nfs/dbraw/zinc/99/07/78/457990778.db2.gz IRBXDJYXBSNZOT-QGZVFWFLSA-N 1 2 343.383 3.251 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@@H](C4CCC4)C3)co2)cc1 ZINC000411843890 457990781 /nfs/dbraw/zinc/99/07/81/457990781.db2.gz IRBXDJYXBSNZOT-QGZVFWFLSA-N 1 2 343.383 3.251 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC1=CCCC1 ZINC000447807858 458345306 /nfs/dbraw/zinc/34/53/06/458345306.db2.gz RVLHSPJNELPTNT-UHFFFAOYSA-N 1 2 331.416 3.339 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1OCc1c[nH+]cn1Cc1ccccc1 ZINC000437620975 458476005 /nfs/dbraw/zinc/47/60/05/458476005.db2.gz NXRGIUCGTBVCQZ-UHFFFAOYSA-N 1 2 339.351 3.427 10 5 EGBELO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000594713163 459137817 /nfs/dbraw/zinc/13/78/17/459137817.db2.gz UGSRLGASWLDMJS-GHMZBOCLSA-N 1 2 334.401 3.038 10 5 EGBELO O=[N+]([O-])c1cc(C[NH2+]Cc2cc3n(n2)CCC3)cc(C(F)(F)F)c1 ZINC000594937994 459183522 /nfs/dbraw/zinc/18/35/22/459183522.db2.gz KIBLOVYJSCUIBI-UHFFFAOYSA-N 1 2 340.305 3.046 10 5 EGBELO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncnn21 ZINC000594956083 459192302 /nfs/dbraw/zinc/19/23/02/459192302.db2.gz FADNYHPIDBNFLM-ABAIWWIYSA-N 1 2 339.355 3.242 10 5 EGBELO Cc1noc(C[N@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595328766 459278008 /nfs/dbraw/zinc/27/80/08/459278008.db2.gz ZFQMMBSZHQUTRK-BBRMVZONSA-N 1 2 345.399 3.470 10 5 EGBELO Cc1noc(C[N@@H+]2C[C@@H](c3cc(C)ccc3C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595328766 459278014 /nfs/dbraw/zinc/27/80/14/459278014.db2.gz ZFQMMBSZHQUTRK-BBRMVZONSA-N 1 2 345.399 3.470 10 5 EGBELO O=[N+]([O-])c1cnc2ccccc2c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596358230 459607367 /nfs/dbraw/zinc/60/73/67/459607367.db2.gz XJEGOWJWYBVLBV-UHFFFAOYSA-N 1 2 349.394 3.172 10 5 EGBELO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000597256178 459897982 /nfs/dbraw/zinc/89/79/82/459897982.db2.gz LQLRUKFMQNSZCI-RNHHIQEPSA-N 1 2 326.343 3.353 10 5 EGBELO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000597256178 459897991 /nfs/dbraw/zinc/89/79/91/459897991.db2.gz LQLRUKFMQNSZCI-RNHHIQEPSA-N 1 2 326.343 3.353 10 5 EGBELO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000614247725 460067209 /nfs/dbraw/zinc/06/72/09/460067209.db2.gz LNDNDCXNPLZGKM-IVEQORNPSA-N 1 2 335.367 3.105 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000598936586 460096457 /nfs/dbraw/zinc/09/64/57/460096457.db2.gz ODZQJWKDAHPZHT-UHFFFAOYSA-N 1 2 326.400 3.375 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000598936586 460096460 /nfs/dbraw/zinc/09/64/60/460096460.db2.gz ODZQJWKDAHPZHT-UHFFFAOYSA-N 1 2 326.400 3.375 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(O)(C(F)(F)F)CC1 ZINC000599066316 460149411 /nfs/dbraw/zinc/14/94/11/460149411.db2.gz VAMQOVIVGGZXOK-UHFFFAOYSA-N 1 2 341.289 3.037 10 5 EGBELO O=[N+]([O-])c1c(NCC2(CO)CC3(CCC3)C2)ccc2c[nH+]ccc21 ZINC000599082930 460155137 /nfs/dbraw/zinc/15/51/37/460155137.db2.gz ZCNDBSWILXFFEV-UHFFFAOYSA-N 1 2 327.384 3.498 10 5 EGBELO CC(C)(CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)n1cc[nH+]c1 ZINC000601197789 460747277 /nfs/dbraw/zinc/74/72/77/460747277.db2.gz GABVWUKXOZWBAI-UHFFFAOYSA-N 1 2 329.282 3.052 10 5 EGBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000613182010 460855370 /nfs/dbraw/zinc/85/53/70/460855370.db2.gz CSQMLZJVOAFHOH-AWEZNQCLSA-N 1 2 338.367 3.450 10 5 EGBELO O=C(NCC[C@@H]1CC=CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600392571 548111467 /nfs/dbraw/zinc/11/14/67/548111467.db2.gz HVJRSMDECNKWQD-CQSZACIVSA-N 1 2 340.383 3.257 10 5 EGBELO C[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000922540187 1322552369 /nfs/dbraw/zinc/55/23/69/1322552369.db2.gz HAILBSYLKRFMHA-LLVKDONJSA-N 1 2 343.412 3.303 10 5 EGBELO C[C@H](C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860099107 1329146274 /nfs/dbraw/zinc/14/62/74/1329146274.db2.gz YEPQCDBCUPEOJN-LLVKDONJSA-N 1 2 341.383 3.079 10 5 EGBELO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860099107 1329146279 /nfs/dbraw/zinc/14/62/79/1329146279.db2.gz YEPQCDBCUPEOJN-LLVKDONJSA-N 1 2 341.383 3.079 10 5 EGBELO CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001325179122 1387910586 /nfs/dbraw/zinc/91/05/86/1387910586.db2.gz DOBFJZKXFWBWPR-UHFFFAOYSA-N 1 2 342.399 3.433 10 5 EGBELO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001124772546 1372729363 /nfs/dbraw/zinc/72/93/63/1372729363.db2.gz NVLBPBUHOGFCFL-UHFFFAOYSA-N 1 2 326.287 3.172 10 5 EGBELO Cc1c[nH+]c2cc(C(=O)NC[C@H](C)c3ccccc3[N+](=O)[O-])ccn12 ZINC001134502186 1376571736 /nfs/dbraw/zinc/57/17/36/1376571736.db2.gz TXVMACGLPGJLAV-LBPRGKRZSA-N 1 2 338.367 3.084 10 5 EGBELO O=[N+]([O-])c1ccccc1CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001163197696 1382990416 /nfs/dbraw/zinc/99/04/16/1382990416.db2.gz MXALVRIASKVROK-UHFFFAOYSA-N 1 2 333.351 3.445 10 5 EGBELO CC[N@H+](Cc1ccco1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052697198 214140576 /nfs/dbraw/zinc/14/05/76/214140576.db2.gz RBQOICIZFQVJDO-UHFFFAOYSA-N 1 2 328.328 3.260 10 5 EGBELO CC[N@@H+](Cc1ccco1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000052697198 214140579 /nfs/dbraw/zinc/14/05/79/214140579.db2.gz RBQOICIZFQVJDO-UHFFFAOYSA-N 1 2 328.328 3.260 10 5 EGBELO COc1ccc(Br)cc1[C@H]([NH3+])c1ccc([N+](=O)[O-])o1 ZINC000035381679 213024148 /nfs/dbraw/zinc/02/41/48/213024148.db2.gz MDLKZCWLBSDSPL-LBPRGKRZSA-N 1 2 327.134 3.007 10 5 EGBELO Cc1cc(NCC2(CCO)CCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000132691114 223354673 /nfs/dbraw/zinc/35/46/73/223354673.db2.gz AXTJEKIJKDMBEV-UHFFFAOYSA-N 1 2 342.399 3.325 10 5 EGBELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000130924948 162384709 /nfs/dbraw/zinc/38/47/09/162384709.db2.gz BPRCFHINNGQYNS-OLZOCXBDSA-N 1 2 329.404 3.243 10 5 EGBELO COc1cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351984511 165178455 /nfs/dbraw/zinc/17/84/55/165178455.db2.gz NKSDRSMVXGFKGD-INIZCTEOSA-N 1 2 346.383 3.378 10 5 EGBELO COc1cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351984511 165178460 /nfs/dbraw/zinc/17/84/60/165178460.db2.gz NKSDRSMVXGFKGD-INIZCTEOSA-N 1 2 346.383 3.378 10 5 EGBELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361057149 287144064 /nfs/dbraw/zinc/14/40/64/287144064.db2.gz KZQQFWTVSGXSTI-ZDUSSCGKSA-N 1 2 330.363 3.012 10 5 EGBELO CCN(CC)c1ccc(CNc2nc(C)cc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000359081190 167061926 /nfs/dbraw/zinc/06/19/26/167061926.db2.gz IZVSEEGZIJZJFW-UHFFFAOYSA-N 1 2 329.404 3.460 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cs1 ZINC000278901332 275285915 /nfs/dbraw/zinc/28/59/15/275285915.db2.gz RQAFTCJQXUAISH-LBPRGKRZSA-N 1 2 337.376 3.234 10 5 EGBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cs1 ZINC000278901332 275285916 /nfs/dbraw/zinc/28/59/16/275285916.db2.gz RQAFTCJQXUAISH-LBPRGKRZSA-N 1 2 337.376 3.234 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000359935034 281489255 /nfs/dbraw/zinc/48/92/55/281489255.db2.gz UJVPUQLXADOYHN-UHFFFAOYSA-N 1 2 332.791 3.278 10 5 EGBELO CCOC(=O)c1csc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000292817133 308068972 /nfs/dbraw/zinc/06/89/72/308068972.db2.gz CQWIBPOPIHQERY-ZDUSSCGKSA-N 1 2 349.412 3.469 10 5 EGBELO Cc1ccc[nH+]c1CCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000295809715 308362279 /nfs/dbraw/zinc/36/22/79/308362279.db2.gz UARANLQECNFYJU-UHFFFAOYSA-N 1 2 342.399 3.091 10 5 EGBELO C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449863251 310091276 /nfs/dbraw/zinc/09/12/76/310091276.db2.gz DUTKVQFNTNAZPL-ZDUSSCGKSA-N 1 2 328.372 3.185 10 5 EGBELO C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451120531 310161588 /nfs/dbraw/zinc/16/15/88/310161588.db2.gz KLMUSFDVHCPXBF-MGPQQGTHSA-N 1 2 342.399 3.287 10 5 EGBELO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548424343 315008101 /nfs/dbraw/zinc/00/81/01/315008101.db2.gz QZECVFMOYKWYIW-PHIMTYICSA-N 1 2 346.412 3.140 10 5 EGBELO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548424343 315008103 /nfs/dbraw/zinc/00/81/03/315008103.db2.gz QZECVFMOYKWYIW-PHIMTYICSA-N 1 2 346.412 3.140 10 5 EGBELO Cc1c(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cnn1C ZINC000555462776 315385379 /nfs/dbraw/zinc/38/53/79/315385379.db2.gz OBRAOCWDHIUVIL-UHFFFAOYSA-N 1 2 342.321 3.288 10 5 EGBELO Cc1c(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cnn1C ZINC000555462776 315385381 /nfs/dbraw/zinc/38/53/81/315385381.db2.gz OBRAOCWDHIUVIL-UHFFFAOYSA-N 1 2 342.321 3.288 10 5 EGBELO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000184236555 455364925 /nfs/dbraw/zinc/36/49/25/455364925.db2.gz NJLOJDXPUBJGIW-GHMZBOCLSA-N 1 2 334.401 3.038 10 5 EGBELO CCc1noc(CC)c1C[NH2+][C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000097017290 454388516 /nfs/dbraw/zinc/38/85/16/454388516.db2.gz WRZNSQCWJAWGLA-JTQLQIEISA-N 1 2 347.371 3.287 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000093048582 454674044 /nfs/dbraw/zinc/67/40/44/454674044.db2.gz UVXODZHTCZHRDE-HNNXBMFYSA-N 1 2 342.351 3.366 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000093048582 454674048 /nfs/dbraw/zinc/67/40/48/454674048.db2.gz UVXODZHTCZHRDE-HNNXBMFYSA-N 1 2 342.351 3.366 10 5 EGBELO Cc1ncc(C[NH+]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000106090722 454678048 /nfs/dbraw/zinc/67/80/48/454678048.db2.gz VPGFHSMQWKRJJJ-CYBMUJFWSA-N 1 2 346.456 3.239 10 5 EGBELO Cc1ncc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000106090722 454678051 /nfs/dbraw/zinc/67/80/51/454678051.db2.gz VPGFHSMQWKRJJJ-CYBMUJFWSA-N 1 2 346.456 3.239 10 5 EGBELO COc1cc[nH+]cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601024442 460679131 /nfs/dbraw/zinc/67/91/31/460679131.db2.gz YVTYRYAQMZBFHU-UHFFFAOYSA-N 1 2 327.340 3.059 10 5 EGBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000253426547 455845451 /nfs/dbraw/zinc/84/54/51/455845451.db2.gz HLAKJMHWERAOSC-UHFFFAOYSA-N 1 2 343.387 3.346 10 5 EGBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000253426547 455845456 /nfs/dbraw/zinc/84/54/56/455845456.db2.gz HLAKJMHWERAOSC-UHFFFAOYSA-N 1 2 343.387 3.346 10 5 EGBELO CC1(C)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280307008 455942535 /nfs/dbraw/zinc/94/25/35/455942535.db2.gz PFWSECDHQASZHI-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280307008 455942538 /nfs/dbraw/zinc/94/25/38/455942538.db2.gz PFWSECDHQASZHI-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000425351772 457513687 /nfs/dbraw/zinc/51/36/87/457513687.db2.gz VUWFDWIBEJUTRC-HNNXBMFYSA-N 1 2 326.418 3.210 10 5 EGBELO CC[C@@](C)(C(=O)OC)[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000425351772 457513692 /nfs/dbraw/zinc/51/36/92/457513692.db2.gz VUWFDWIBEJUTRC-HNNXBMFYSA-N 1 2 326.418 3.210 10 5 EGBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364520735 457631117 /nfs/dbraw/zinc/63/11/17/457631117.db2.gz WRJIGWGLTSILRT-UHFFFAOYSA-N 1 2 343.387 3.346 10 5 EGBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364520735 457631122 /nfs/dbraw/zinc/63/11/22/457631122.db2.gz WRJIGWGLTSILRT-UHFFFAOYSA-N 1 2 343.387 3.346 10 5 EGBELO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(F)c1 ZINC000358090813 457779910 /nfs/dbraw/zinc/77/99/10/457779910.db2.gz UVNIQGVUGMAZPN-HNNXBMFYSA-N 1 2 327.319 3.064 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426738589 457889848 /nfs/dbraw/zinc/88/98/48/457889848.db2.gz XIQGQINAYBFXQU-CYBMUJFWSA-N 1 2 341.415 3.079 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444687205 457939681 /nfs/dbraw/zinc/93/96/81/457939681.db2.gz AFDAHVBYHPTDRT-LLVKDONJSA-N 1 2 345.321 3.116 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444687205 457939685 /nfs/dbraw/zinc/93/96/85/457939685.db2.gz AFDAHVBYHPTDRT-LLVKDONJSA-N 1 2 345.321 3.116 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000446241349 458166857 /nfs/dbraw/zinc/16/68/57/458166857.db2.gz NJWLRFUSAIJKDK-UHFFFAOYSA-N 1 2 348.790 3.300 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000446241349 458166861 /nfs/dbraw/zinc/16/68/61/458166861.db2.gz NJWLRFUSAIJKDK-UHFFFAOYSA-N 1 2 348.790 3.300 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(=[NH+][C@@H]3CCOC4(CCCCC4)C3)[nH]c2c1 ZINC000447691586 458329990 /nfs/dbraw/zinc/32/99/90/458329990.db2.gz TUXZOPDDOVONNQ-GFCCVEGCSA-N 1 2 330.388 3.187 10 5 EGBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459750898 458468619 /nfs/dbraw/zinc/46/86/19/458468619.db2.gz AREDTYMEPLQPHO-INIZCTEOSA-N 1 2 348.786 3.004 10 5 EGBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459750898 458468623 /nfs/dbraw/zinc/46/86/23/458468623.db2.gz AREDTYMEPLQPHO-INIZCTEOSA-N 1 2 348.786 3.004 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470955504 458668739 /nfs/dbraw/zinc/66/87/39/458668739.db2.gz LWMQWSWZOXYRKE-MNOVXSKESA-N 1 2 345.321 3.114 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470955504 458668745 /nfs/dbraw/zinc/66/87/45/458668745.db2.gz LWMQWSWZOXYRKE-MNOVXSKESA-N 1 2 345.321 3.114 10 5 EGBELO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595064156 459232885 /nfs/dbraw/zinc/23/28/85/459232885.db2.gz DRTLRSUVRBDWBN-KMUNFCNLSA-N 1 2 327.388 3.204 10 5 EGBELO CC[C@@](C)(C(=O)OC)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595551171 459344312 /nfs/dbraw/zinc/34/43/12/459344312.db2.gz WCJJDNXMQUMRRP-KRWDZBQOSA-N 1 2 338.379 3.288 10 5 EGBELO CC[C@@](C)(C(=O)OC)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595551171 459344318 /nfs/dbraw/zinc/34/43/18/459344318.db2.gz WCJJDNXMQUMRRP-KRWDZBQOSA-N 1 2 338.379 3.288 10 5 EGBELO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000595892955 459477884 /nfs/dbraw/zinc/47/78/84/459477884.db2.gz VMBYEQSHVHUBIB-RISCZKNCSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000595892955 459477891 /nfs/dbraw/zinc/47/78/91/459477891.db2.gz VMBYEQSHVHUBIB-RISCZKNCSA-N 1 2 348.321 3.015 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000541769448 459490128 /nfs/dbraw/zinc/49/01/28/459490128.db2.gz XXTYSTYKCDIGAO-IBGZPJMESA-N 1 2 325.412 3.392 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000541769448 459490132 /nfs/dbraw/zinc/49/01/32/459490132.db2.gz XXTYSTYKCDIGAO-IBGZPJMESA-N 1 2 325.412 3.392 10 5 EGBELO O=[N+]([O-])c1cccc2c1CCN2Cc1c[nH+]cn1Cc1ccccc1 ZINC000525833230 459500747 /nfs/dbraw/zinc/50/07/47/459500747.db2.gz NKFJRPUGUBMECF-UHFFFAOYSA-N 1 2 334.379 3.402 10 5 EGBELO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000591971616 459501277 /nfs/dbraw/zinc/50/12/77/459501277.db2.gz JXEMZDUXGMNFHY-CHWSQXEVSA-N 1 2 337.383 3.426 10 5 EGBELO Cc1cnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130729 459530107 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326.343 3.354 10 5 EGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000597252160 459896005 /nfs/dbraw/zinc/89/60/05/459896005.db2.gz RMMNRPQUPJQECR-LJEUOOAZSA-N 1 2 326.343 3.354 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000618449180 460014024 /nfs/dbraw/zinc/01/40/24/460014024.db2.gz NSBAGXLORUMNHW-CYBMUJFWSA-N 1 2 348.790 3.230 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000618469904 460019873 /nfs/dbraw/zinc/01/98/73/460019873.db2.gz NOSAWOTXQKIQOO-UHFFFAOYSA-N 1 2 334.763 3.270 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000589499752 460095074 /nfs/dbraw/zinc/09/50/74/460095074.db2.gz AYSDSAIDKWWIFE-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000589499752 460095081 /nfs/dbraw/zinc/09/50/81/460095081.db2.gz AYSDSAIDKWWIFE-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO CCC(C)(C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597951629 460125014 /nfs/dbraw/zinc/12/50/14/460125014.db2.gz KSGFDRCAJQNNFJ-GFCCVEGCSA-N 1 2 330.388 3.335 10 5 EGBELO O=[N+]([O-])c1c(N[C@H]([C@H](CO)C2CC2)C2CC2)ccc2c[nH+]ccc21 ZINC000599084230 460156493 /nfs/dbraw/zinc/15/64/93/460156493.db2.gz QBKXNCSLQXRCSV-WBVHZDCISA-N 1 2 327.384 3.352 10 5 EGBELO Cn1cc[nH+]c1[C@@H]1N(c2ccc3ncccc3c2[N+](=O)[O-])CC1(C)C ZINC000576670788 460189721 /nfs/dbraw/zinc/18/97/21/460189721.db2.gz SDCYROZNKFAWNS-INIZCTEOSA-N 1 2 337.383 3.464 10 5 EGBELO O=c1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000599642902 460295772 /nfs/dbraw/zinc/29/57/72/460295772.db2.gz XLENFVLWZFDANH-AWEZNQCLSA-N 1 2 334.763 3.081 10 5 EGBELO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000599642902 460295775 /nfs/dbraw/zinc/29/57/75/460295775.db2.gz XLENFVLWZFDANH-AWEZNQCLSA-N 1 2 334.763 3.081 10 5 EGBELO COc1ccc([C@@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1F ZINC000599681743 460309428 /nfs/dbraw/zinc/30/94/28/460309428.db2.gz ZUQYASNFLVBVFN-CYBMUJFWSA-N 1 2 346.358 3.438 10 5 EGBELO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1F ZINC000599681743 460309432 /nfs/dbraw/zinc/30/94/32/460309432.db2.gz ZUQYASNFLVBVFN-CYBMUJFWSA-N 1 2 346.358 3.438 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592004070 574954104 /nfs/dbraw/zinc/95/41/04/574954104.db2.gz SCLFHLOBCLZNAW-HRCADAONSA-N 1 2 331.416 3.028 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000741751124 576716799 /nfs/dbraw/zinc/71/67/99/576716799.db2.gz RCQBXCZZUCUILP-UHFFFAOYSA-N 1 2 330.319 3.311 10 5 EGBELO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027698 1296674725 /nfs/dbraw/zinc/67/47/25/1296674725.db2.gz LKUZWNWRCHKDDX-OLZOCXBDSA-N 1 2 345.374 3.089 10 5 EGBELO C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872087508 1296726991 /nfs/dbraw/zinc/72/69/91/1296726991.db2.gz IZRFSSOUAGFFFM-BXKDBHETSA-N 1 2 346.284 3.385 10 5 EGBELO Cc1ccc(F)c(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1F ZINC000931468704 1329125839 /nfs/dbraw/zinc/12/58/39/1329125839.db2.gz BZYMKHKJVCVQCS-KRWDZBQOSA-N 1 2 336.338 3.179 10 5 EGBELO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000860089848 1329143422 /nfs/dbraw/zinc/14/34/22/1329143422.db2.gz IOIITXZPXKRNFW-NXEZZACHSA-N 1 2 333.215 3.494 10 5 EGBELO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000860089848 1329143426 /nfs/dbraw/zinc/14/34/26/1329143426.db2.gz IOIITXZPXKRNFW-NXEZZACHSA-N 1 2 333.215 3.494 10 5 EGBELO C[C@H](C[N@H+](C)Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098064 1329145928 /nfs/dbraw/zinc/14/59/28/1329145928.db2.gz KUQYAWYRYSHCFA-SNVBAGLBSA-N 1 2 329.422 3.001 10 5 EGBELO C[C@H](C[N@@H+](C)Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860098064 1329145932 /nfs/dbraw/zinc/14/59/32/1329145932.db2.gz KUQYAWYRYSHCFA-SNVBAGLBSA-N 1 2 329.422 3.001 10 5 EGBELO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@@]23CCCOC3)c(F)c1 ZINC001198827451 1369123587 /nfs/dbraw/zinc/12/35/87/1369123587.db2.gz CPILPVWQEWQZPY-INIZCTEOSA-N 1 2 326.343 3.408 10 5 EGBELO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@@]23CCCOC3)c(F)c1 ZINC001198827451 1369123590 /nfs/dbraw/zinc/12/35/90/1369123590.db2.gz CPILPVWQEWQZPY-INIZCTEOSA-N 1 2 326.343 3.408 10 5 EGBELO CC(C)c1coc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC001132176043 1375190083 /nfs/dbraw/zinc/19/00/83/1375190083.db2.gz LXIOQYSUMNYBKE-UHFFFAOYSA-N 1 2 341.327 3.144 10 5 EGBELO CCC(=O)NCc1ccc2c(c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001327682818 1388579751 /nfs/dbraw/zinc/57/97/51/1388579751.db2.gz PTJKNWVBOMSGTI-UHFFFAOYSA-N 1 2 339.395 3.137 10 5 EGBELO CCC(=O)NCc1ccc2c(c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001327682818 1388579752 /nfs/dbraw/zinc/57/97/52/1388579752.db2.gz PTJKNWVBOMSGTI-UHFFFAOYSA-N 1 2 339.395 3.137 10 5 EGBELO CC[N@H+](CCNC(=O)c1ccccc1C)Cc1csc([N+](=O)[O-])c1 ZINC001713479757 1418165447 /nfs/dbraw/zinc/16/54/47/1418165447.db2.gz AOCGJVMRDDHVBB-UHFFFAOYSA-N 1 2 347.440 3.217 10 5 EGBELO CC[N@@H+](CCNC(=O)c1ccccc1C)Cc1csc([N+](=O)[O-])c1 ZINC001713479757 1418165456 /nfs/dbraw/zinc/16/54/56/1418165456.db2.gz AOCGJVMRDDHVBB-UHFFFAOYSA-N 1 2 347.440 3.217 10 5 EGBELO CCC(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001717269448 1421224871 /nfs/dbraw/zinc/22/48/71/1421224871.db2.gz NWHLHJHHQGXBQY-UHFFFAOYSA-N 1 2 339.395 3.137 10 5 EGBELO CCC(=O)NCc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001717269448 1421224873 /nfs/dbraw/zinc/22/48/73/1421224873.db2.gz NWHLHJHHQGXBQY-UHFFFAOYSA-N 1 2 339.395 3.137 10 5 EGBELO C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000075292469 216605461 /nfs/dbraw/zinc/60/54/61/216605461.db2.gz XVSCMKFZQQYIEA-OLZOCXBDSA-N 1 2 328.372 3.041 10 5 EGBELO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000267386456 251008267 /nfs/dbraw/zinc/00/82/67/251008267.db2.gz MLUCGWJMEDQYET-GFCCVEGCSA-N 1 2 340.305 3.479 10 5 EGBELO COc1cccc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119066787 221236440 /nfs/dbraw/zinc/23/64/40/221236440.db2.gz UGJHQWLHUMYTLY-SFHVURJKSA-N 1 2 328.368 3.177 10 5 EGBELO COc1cccc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119066787 221236442 /nfs/dbraw/zinc/23/64/42/221236442.db2.gz UGJHQWLHUMYTLY-SFHVURJKSA-N 1 2 328.368 3.177 10 5 EGBELO COC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000351722099 144296492 /nfs/dbraw/zinc/29/64/92/144296492.db2.gz USOKTNSKWYOGSI-MRXNPFEDSA-N 1 2 340.301 3.489 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000248413297 163003273 /nfs/dbraw/zinc/00/32/73/163003273.db2.gz FZDBRPDBYOFNFV-VNQPRFMTSA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000248413297 163003276 /nfs/dbraw/zinc/00/32/76/163003276.db2.gz 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Cc1[nH+]c2ccccc2n1C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000360121110 282077773 /nfs/dbraw/zinc/07/77/73/282077773.db2.gz DYLVWTRGJNWKHK-UHFFFAOYSA-N 1 2 337.383 3.489 10 5 EGBELO Cn1cc(Cl)c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000420959997 309304262 /nfs/dbraw/zinc/30/42/62/309304262.db2.gz GBMUZGGFKGLZDO-ZDUSSCGKSA-N 1 2 334.807 3.361 10 5 EGBELO Cn1cc(Cl)c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000420959997 309304263 /nfs/dbraw/zinc/30/42/63/309304263.db2.gz GBMUZGGFKGLZDO-ZDUSSCGKSA-N 1 2 334.807 3.361 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(Nc3ccc(N4CCCCC4)[nH+]c3)nc2c1 ZINC000447681167 309985751 /nfs/dbraw/zinc/98/57/51/309985751.db2.gz WQMLQBDQQGPGIT-UHFFFAOYSA-N 1 2 338.371 3.022 10 5 EGBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000449859534 310091177 /nfs/dbraw/zinc/09/11/77/310091177.db2.gz HFGIWKDYZZQTBG-LBPRGKRZSA-N 1 2 328.372 3.089 10 5 EGBELO O=C(NCCC1=CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450210148 310108724 /nfs/dbraw/zinc/10/87/24/310108724.db2.gz ZRPLOSXIEZNTIR-UHFFFAOYSA-N 1 2 326.356 3.011 10 5 EGBELO O=[N+]([O-])c1cnc2ccccc2c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000487923574 311043075 /nfs/dbraw/zinc/04/30/75/311043075.db2.gz YLPKHINUJQEMIJ-UHFFFAOYSA-N 1 2 335.367 3.304 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000104694993 454596907 /nfs/dbraw/zinc/59/69/07/454596907.db2.gz VLDXHQCBQIQDNB-QGZVFWFLSA-N 1 2 344.415 3.453 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000104694993 454596910 /nfs/dbraw/zinc/59/69/10/454596910.db2.gz VLDXHQCBQIQDNB-QGZVFWFLSA-N 1 2 344.415 3.453 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000080543602 454597182 /nfs/dbraw/zinc/59/71/82/454597182.db2.gz UCSVWNHYYBHLHC-UHFFFAOYSA-N 1 2 346.362 3.350 10 5 EGBELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000161084030 455532083 /nfs/dbraw/zinc/53/20/83/455532083.db2.gz PMFXMYDLAFISSZ-MFKMUULPSA-N 1 2 334.401 3.119 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000247239471 455576986 /nfs/dbraw/zinc/57/69/86/455576986.db2.gz WSIOUDYIBFYOSB-LZQZEXGQSA-N 1 2 348.443 3.487 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000247239471 455576991 /nfs/dbraw/zinc/57/69/91/455576991.db2.gz WSIOUDYIBFYOSB-LZQZEXGQSA-N 1 2 348.443 3.487 10 5 EGBELO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000192260864 455583822 /nfs/dbraw/zinc/58/38/22/455583822.db2.gz GSPYFDZYDXSCSQ-UHFFFAOYSA-N 1 2 344.415 3.215 10 5 EGBELO Cc1[nH+]c2ccccc2n1CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000301280323 456080132 /nfs/dbraw/zinc/08/01/32/456080132.db2.gz NZLTUGFWAVGZDE-UHFFFAOYSA-N 1 2 331.763 3.413 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348237223 456557969 /nfs/dbraw/zinc/55/79/69/456557969.db2.gz YMRFZKNHEGSDFS-HBNTYKKESA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348237223 456557971 /nfs/dbraw/zinc/55/79/71/456557971.db2.gz YMRFZKNHEGSDFS-HBNTYKKESA-N 1 2 345.321 3.195 10 5 EGBELO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000353555928 456757531 /nfs/dbraw/zinc/75/75/31/456757531.db2.gz PTEVYLQBQRCOTN-HNNXBMFYSA-N 1 2 345.424 3.284 10 5 EGBELO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000353555928 456757537 /nfs/dbraw/zinc/75/75/37/456757537.db2.gz PTEVYLQBQRCOTN-HNNXBMFYSA-N 1 2 345.424 3.284 10 5 EGBELO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339014228 456901223 /nfs/dbraw/zinc/90/12/23/456901223.db2.gz RFLRYMCAEJHAPV-LJQANCHMSA-N 1 2 344.411 3.320 10 5 EGBELO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339014228 456901227 /nfs/dbraw/zinc/90/12/27/456901227.db2.gz RFLRYMCAEJHAPV-LJQANCHMSA-N 1 2 344.411 3.320 10 5 EGBELO Cc1ccc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cn1 ZINC000339082933 456932081 /nfs/dbraw/zinc/93/20/81/456932081.db2.gz YDOYMZSZSOXXHF-UHFFFAOYSA-N 1 2 327.384 3.383 10 5 EGBELO CC(=O)c1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000342089112 457102392 /nfs/dbraw/zinc/10/23/92/457102392.db2.gz QWRHFAWAHVITRC-UHFFFAOYSA-N 1 2 342.277 3.168 10 5 EGBELO COc1cc(CC2C[NH+](Cc3csc([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000362852960 457125526 /nfs/dbraw/zinc/12/55/26/457125526.db2.gz KDZVTAZYRWAYEA-UHFFFAOYSA-N 1 2 348.424 3.348 10 5 EGBELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000369889849 457447225 /nfs/dbraw/zinc/44/72/25/457447225.db2.gz URGAVWNTSRPDRJ-LLVKDONJSA-N 1 2 328.372 3.185 10 5 EGBELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000369889849 457447232 /nfs/dbraw/zinc/44/72/32/457447232.db2.gz URGAVWNTSRPDRJ-LLVKDONJSA-N 1 2 328.372 3.185 10 5 EGBELO C[C@@H]1c2ccccc2C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361060811 457554326 /nfs/dbraw/zinc/55/43/26/457554326.db2.gz XYCSMSYPCVSLCL-CYBMUJFWSA-N 1 2 337.379 3.061 10 5 EGBELO C[C@@H]1c2ccccc2C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361060811 457554328 /nfs/dbraw/zinc/55/43/28/457554328.db2.gz XYCSMSYPCVSLCL-CYBMUJFWSA-N 1 2 337.379 3.061 10 5 EGBELO O=[N+]([O-])c1ccc(NCc2cccnc2-n2cc[nH+]c2)c2ncccc12 ZINC000371402389 457911026 /nfs/dbraw/zinc/91/10/26/457911026.db2.gz XCBVNZNPYDZPKX-UHFFFAOYSA-N 1 2 346.350 3.336 10 5 EGBELO C[C@@H]1CC2(CCC2)CN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447809668 458344855 /nfs/dbraw/zinc/34/48/55/458344855.db2.gz BQWRYXUDBFDZQS-OAHLLOKOSA-N 1 2 345.443 3.196 10 5 EGBELO CC1=C[C@H](C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269645 458432714 /nfs/dbraw/zinc/43/27/14/458432714.db2.gz ROORLNXHPJLDJT-JQWIXIFHSA-N 1 2 337.807 3.473 10 5 EGBELO CC1=C[C@H](C)C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269645 458432716 /nfs/dbraw/zinc/43/27/16/458432716.db2.gz ROORLNXHPJLDJT-JQWIXIFHSA-N 1 2 337.807 3.473 10 5 EGBELO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590178797 459098011 /nfs/dbraw/zinc/09/80/11/459098011.db2.gz BBSJFNOQIWHXLO-OLQIXAPSSA-N 1 2 348.443 3.452 10 5 EGBELO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000590178797 459098016 /nfs/dbraw/zinc/09/80/16/459098016.db2.gz BBSJFNOQIWHXLO-OLQIXAPSSA-N 1 2 348.443 3.452 10 5 EGBELO CC[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000479496341 459142930 /nfs/dbraw/zinc/14/29/30/459142930.db2.gz ATWNBZMDTVYXET-CTYIDZIISA-N 1 2 342.399 3.479 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595435722 459300590 /nfs/dbraw/zinc/30/05/90/459300590.db2.gz UKGRBTHSNJMWLS-HNNXBMFYSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595435722 459300595 /nfs/dbraw/zinc/30/05/95/459300595.db2.gz UKGRBTHSNJMWLS-HNNXBMFYSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)c1[N+](=O)[O-] ZINC000595560759 459346870 /nfs/dbraw/zinc/34/68/70/459346870.db2.gz ZPGGKFKONFANJB-KRWDZBQOSA-N 1 2 343.383 3.051 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000540908248 459401333 /nfs/dbraw/zinc/40/13/33/459401333.db2.gz UMOOIVMCAZSNDI-IBGZPJMESA-N 1 2 342.395 3.351 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000540908248 459401338 /nfs/dbraw/zinc/40/13/38/459401338.db2.gz UMOOIVMCAZSNDI-IBGZPJMESA-N 1 2 342.395 3.351 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCCC2)n1 ZINC000596356125 459606432 /nfs/dbraw/zinc/60/64/32/459606432.db2.gz FZOQRFDQHSGETG-UHFFFAOYSA-N 1 2 327.388 3.214 10 5 EGBELO O=C(NCC1CCC(F)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000592722398 459677066 /nfs/dbraw/zinc/67/70/66/459677066.db2.gz OURUPRGATQAPPZ-UHFFFAOYSA-N 1 2 346.362 3.039 10 5 EGBELO C[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000593463656 459896030 /nfs/dbraw/zinc/89/60/30/459896030.db2.gz BHVYZOCXFDOIIR-UGSOOPFHSA-N 1 2 337.383 3.427 10 5 EGBELO COc1ccc(C[N@H+](C)Cc2c(C)cc(C)nc2OC)cc1[N+](=O)[O-] ZINC000588202311 459931432 /nfs/dbraw/zinc/93/14/32/459931432.db2.gz GUTNKEHECVYBKC-UHFFFAOYSA-N 1 2 345.399 3.256 10 5 EGBELO COc1ccc(C[N@@H+](C)Cc2c(C)cc(C)nc2OC)cc1[N+](=O)[O-] ZINC000588202311 459931434 /nfs/dbraw/zinc/93/14/34/459931434.db2.gz GUTNKEHECVYBKC-UHFFFAOYSA-N 1 2 345.399 3.256 10 5 EGBELO Cc1ccc(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cc1[N+](=O)[O-] ZINC000598936691 460096327 /nfs/dbraw/zinc/09/63/27/460096327.db2.gz QLCDJHXVZKUFCC-UHFFFAOYSA-N 1 2 326.400 3.375 10 5 EGBELO Cc1ccc(C[N@H+]2CCc3nc(C(C)C)ncc3C2)cc1[N+](=O)[O-] ZINC000598936691 460096331 /nfs/dbraw/zinc/09/63/31/460096331.db2.gz QLCDJHXVZKUFCC-UHFFFAOYSA-N 1 2 326.400 3.375 10 5 EGBELO O=[N+]([O-])c1c(NCCCOCC2CCOCC2)ccc2c[nH+]ccc21 ZINC000599046674 460138906 /nfs/dbraw/zinc/13/89/06/460138906.db2.gz KKCZGVFBOIUSMR-UHFFFAOYSA-N 1 2 345.399 3.388 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000599059190 460145139 /nfs/dbraw/zinc/14/51/39/460145139.db2.gz OQTYVXRTAGCODV-HUUCEWRRSA-N 1 2 327.384 3.396 10 5 EGBELO CC(C)(C)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599064714 460148025 /nfs/dbraw/zinc/14/80/25/460148025.db2.gz GSXPWZIXVLZNMC-ZBFHGGJFSA-N 1 2 329.400 3.376 10 5 EGBELO Cc1cc(NCC[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599116367 460165409 /nfs/dbraw/zinc/16/54/09/460165409.db2.gz HMMKUUJZCYYJNG-CQSZACIVSA-N 1 2 342.399 3.011 10 5 EGBELO CCn1cc([C@H]2CSCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000618901203 460214011 /nfs/dbraw/zinc/21/40/11/460214011.db2.gz ONEFTKDVZWCYAU-QGZVFWFLSA-N 1 2 346.456 3.410 10 5 EGBELO CCn1cc([C@H]2CSCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000618901203 460214020 /nfs/dbraw/zinc/21/40/20/460214020.db2.gz ONEFTKDVZWCYAU-QGZVFWFLSA-N 1 2 346.456 3.410 10 5 EGBELO C[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197135111 1368751734 /nfs/dbraw/zinc/75/17/34/1368751734.db2.gz GSSKYMVENXFEBN-BDJLRTHQSA-N 1 2 349.337 3.361 10 5 EGBELO Cc1ccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)cc1[N+](=O)[O-] ZINC001197936900 1368928023 /nfs/dbraw/zinc/92/80/23/1368928023.db2.gz CJHOZJUSDADSHA-UHFFFAOYSA-N 1 2 346.818 3.274 10 5 EGBELO O=C(Nc1ccn2cc[nH+]c2c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001129593531 1373400299 /nfs/dbraw/zinc/40/02/99/1373400299.db2.gz ABEWMKKIFPMYQO-UHFFFAOYSA-N 1 2 336.351 3.303 10 5 EGBELO O=C(NCc1cccc([N+](=O)[O-])c1)c1c[nH+]ccc1Nc1ccccc1 ZINC001293539307 1382297443 /nfs/dbraw/zinc/29/74/43/1382297443.db2.gz BEIOPVHFPSHWGA-UHFFFAOYSA-N 1 2 348.362 3.085 10 5 EGBELO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3C)ccc2[nH+]1 ZINC001351974614 1391733464 /nfs/dbraw/zinc/73/34/64/1391733464.db2.gz USTFPLRPXZBBQV-UHFFFAOYSA-N 1 2 328.303 3.251 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178245392 232116903 /nfs/dbraw/zinc/11/69/03/232116903.db2.gz QZEJLBBYIVQSER-NEPJUHHUSA-N 1 2 331.338 3.224 10 5 EGBELO Cc1cc(Cl)ccc1Nc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040590766 213354946 /nfs/dbraw/zinc/35/49/46/213354946.db2.gz BCSZJCNBJKTISQ-UHFFFAOYSA-N 1 2 330.735 3.276 10 5 EGBELO CCOc1cccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000273820868 267116574 /nfs/dbraw/zinc/11/65/74/267116574.db2.gz CRMDBJTXZFIOAM-DZGCQCFKSA-N 1 2 330.388 3.278 10 5 EGBELO C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000276538384 267568498 /nfs/dbraw/zinc/56/84/98/267568498.db2.gz CVLRHCQSPVBAFG-CXAGYDPISA-N 1 2 337.383 3.427 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2ccco2)c2c(c1)COCO2 ZINC000116295838 275189274 /nfs/dbraw/zinc/18/92/74/275189274.db2.gz OFACSVGGXBDIEN-HNNXBMFYSA-N 1 2 330.340 3.391 10 5 EGBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccco2)c2c(c1)COCO2 ZINC000116295838 275189275 /nfs/dbraw/zinc/18/92/75/275189275.db2.gz OFACSVGGXBDIEN-HNNXBMFYSA-N 1 2 330.340 3.391 10 5 EGBELO O=[N+]([O-])c1cc(F)c(NCc2ccnc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000301786982 308715263 /nfs/dbraw/zinc/71/52/63/308715263.db2.gz MGEANBXLLDCJAW-UHFFFAOYSA-N 1 2 331.282 3.066 10 5 EGBELO CO[C@@H]1CC[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302737288 308743824 /nfs/dbraw/zinc/74/38/24/308743824.db2.gz BMWHLOKRUUXTLH-UKRRQHHQSA-N 1 2 328.372 3.340 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[C@@H]3CCCC[C@H]3O)c2c1 ZINC000413211445 309021696 /nfs/dbraw/zinc/02/16/96/309021696.db2.gz XCFCLVYHCANHGL-WMLDXEAASA-N 1 2 329.400 3.308 10 5 EGBELO Cc1ccc[nH+]c1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413307504 309025980 /nfs/dbraw/zinc/02/59/80/309025980.db2.gz ASCCWAHOPSZTGG-UHFFFAOYSA-N 1 2 326.278 3.367 10 5 EGBELO CC[C@@H]([NH2+]Cc1nc(C(=O)OC)cs1)c1cccc([N+](=O)[O-])c1 ZINC000450679893 310136746 /nfs/dbraw/zinc/13/67/46/310136746.db2.gz KIFXFYGZPZJQJL-GFCCVEGCSA-N 1 2 335.385 3.079 10 5 EGBELO COCC[N@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000489417510 311105084 /nfs/dbraw/zinc/10/50/84/311105084.db2.gz XIGQSLHLDPIRAX-UHFFFAOYSA-N 1 2 339.392 3.147 10 5 EGBELO COCC[N@@H+](Cc1scnc1C)Cc1ccc([N+](=O)[O-])cc1F ZINC000489417510 311105086 /nfs/dbraw/zinc/10/50/86/311105086.db2.gz XIGQSLHLDPIRAX-UHFFFAOYSA-N 1 2 339.392 3.147 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185273587 323695857 /nfs/dbraw/zinc/69/58/57/323695857.db2.gz NQZCLEDQUBWIQD-GFCCVEGCSA-N 1 2 348.378 3.006 10 5 EGBELO C[C@H](c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1)C1CC1 ZINC000351094635 324169308 /nfs/dbraw/zinc/16/93/08/324169308.db2.gz REJSDRYLVGYQLX-JTQLQIEISA-N 1 2 325.328 3.344 10 5 EGBELO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000047265345 454348356 /nfs/dbraw/zinc/34/83/56/454348356.db2.gz KLFLKRUGBUPQLY-CYBMUJFWSA-N 1 2 334.397 3.318 10 5 EGBELO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000047265345 454348361 /nfs/dbraw/zinc/34/83/61/454348361.db2.gz KLFLKRUGBUPQLY-CYBMUJFWSA-N 1 2 334.397 3.318 10 5 EGBELO COc1cc(F)ccc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000115550606 455019396 /nfs/dbraw/zinc/01/93/96/455019396.db2.gz ZYVHLSABFLNPIO-UHFFFAOYSA-N 1 2 345.374 3.065 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)c(Cl)c1 ZINC000182134993 455443162 /nfs/dbraw/zinc/44/31/62/455443162.db2.gz MOZJJTVQHCMCEN-UHFFFAOYSA-N 1 2 347.806 3.115 10 5 EGBELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000161124444 455537071 /nfs/dbraw/zinc/53/70/71/455537071.db2.gz IRPFSHWRSZVQDR-MNOVXSKESA-N 1 2 334.401 3.119 10 5 EGBELO C[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271591314 455694368 /nfs/dbraw/zinc/69/43/68/455694368.db2.gz FZRDKERMSYPTQD-FZKQIMNGSA-N 1 2 339.395 3.265 10 5 EGBELO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H](C)[N@H+]1C ZINC000293899271 455799903 /nfs/dbraw/zinc/79/99/03/455799903.db2.gz FBUUCRRBXILNNP-OKILXGFUSA-N 1 2 349.434 3.258 10 5 EGBELO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H](C)[N@@H+]1C ZINC000293899271 455799909 /nfs/dbraw/zinc/79/99/09/455799909.db2.gz FBUUCRRBXILNNP-OKILXGFUSA-N 1 2 349.434 3.258 10 5 EGBELO Cn1nccc1C1=CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000285674284 455894398 /nfs/dbraw/zinc/89/43/98/455894398.db2.gz QPRWAARYQCLXKP-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO Cn1nccc1C1=CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000285674284 455894403 /nfs/dbraw/zinc/89/44/03/455894403.db2.gz QPRWAARYQCLXKP-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000301727105 456198554 /nfs/dbraw/zinc/19/85/54/456198554.db2.gz QOKNAVZTDOORQI-UHFFFAOYSA-N 1 2 348.309 3.413 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348287740 456599145 /nfs/dbraw/zinc/59/91/45/456599145.db2.gz VXTNCCQZWIEQTO-CWSCBRNRSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348287740 456599151 /nfs/dbraw/zinc/59/91/51/456599151.db2.gz VXTNCCQZWIEQTO-CWSCBRNRSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348287741 456599859 /nfs/dbraw/zinc/59/98/59/456599859.db2.gz VXTNCCQZWIEQTO-GIPNMCIBSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348287741 456599867 /nfs/dbraw/zinc/59/98/67/456599867.db2.gz VXTNCCQZWIEQTO-GIPNMCIBSA-N 1 2 345.321 3.195 10 5 EGBELO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])nc1C ZINC000348492761 456714214 /nfs/dbraw/zinc/71/42/14/456714214.db2.gz LWTXKRCICUBSRS-LLVKDONJSA-N 1 2 349.412 3.387 10 5 EGBELO Cc1cc(NC[C@@](C)(O)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301222058 456825198 /nfs/dbraw/zinc/82/51/98/456825198.db2.gz CLNWWHKUSNVLAS-QGZVFWFLSA-N 1 2 330.388 3.179 10 5 EGBELO Cc1cn2cc(NC(=O)CSc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000339267886 457029529 /nfs/dbraw/zinc/02/95/29/457029529.db2.gz BEMRMPNXYXARDA-UHFFFAOYSA-N 1 2 342.380 3.282 10 5 EGBELO O=[N+]([O-])c1cc(CNc2cc[nH+]c(C3CC3)n2)cc(C(F)(F)F)c1 ZINC000362662386 457032225 /nfs/dbraw/zinc/03/22/25/457032225.db2.gz IIGXPARYYSKIEZ-UHFFFAOYSA-N 1 2 338.289 3.315 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361063721 457558207 /nfs/dbraw/zinc/55/82/07/457558207.db2.gz UXMHAHHVVQUOER-CHWSQXEVSA-N 1 2 325.368 3.499 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361063721 457558212 /nfs/dbraw/zinc/55/82/12/457558212.db2.gz UXMHAHHVVQUOER-CHWSQXEVSA-N 1 2 325.368 3.499 10 5 EGBELO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361414853 457724364 /nfs/dbraw/zinc/72/43/64/457724364.db2.gz XDLHQRXUDZWPPL-AWEZNQCLSA-N 1 2 342.399 3.066 10 5 EGBELO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361414853 457724366 /nfs/dbraw/zinc/72/43/66/457724366.db2.gz XDLHQRXUDZWPPL-AWEZNQCLSA-N 1 2 342.399 3.066 10 5 EGBELO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361414854 457724815 /nfs/dbraw/zinc/72/48/15/457724815.db2.gz XDLHQRXUDZWPPL-CQSZACIVSA-N 1 2 342.399 3.066 10 5 EGBELO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000361414854 457724817 /nfs/dbraw/zinc/72/48/17/457724817.db2.gz XDLHQRXUDZWPPL-CQSZACIVSA-N 1 2 342.399 3.066 10 5 EGBELO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681080 457938420 /nfs/dbraw/zinc/93/84/20/457938420.db2.gz SFPOGZZYKRKKRP-SNVBAGLBSA-N 1 2 344.346 3.470 10 5 EGBELO CCC(=O)c1ccc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000594590773 459100444 /nfs/dbraw/zinc/10/04/44/459100444.db2.gz AUDDIXRPIKNAIF-MELADBBJSA-N 1 2 349.431 3.097 10 5 EGBELO CCC(=O)c1ccc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000594590773 459100455 /nfs/dbraw/zinc/10/04/55/459100455.db2.gz AUDDIXRPIKNAIF-MELADBBJSA-N 1 2 349.431 3.097 10 5 EGBELO Cc1noc(C[N@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000595634539 459377954 /nfs/dbraw/zinc/37/79/54/459377954.db2.gz BUGDYKPSNUNIJB-OAHLLOKOSA-N 1 2 345.399 3.461 10 5 EGBELO Cc1noc(C[N@@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000595634539 459377960 /nfs/dbraw/zinc/37/79/60/459377960.db2.gz BUGDYKPSNUNIJB-OAHLLOKOSA-N 1 2 345.399 3.461 10 5 EGBELO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595757248 459427643 /nfs/dbraw/zinc/42/76/43/459427643.db2.gz CAHWGVLKNYIODJ-SFHVURJKSA-N 1 2 330.359 3.350 10 5 EGBELO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595757248 459427647 /nfs/dbraw/zinc/42/76/47/459427647.db2.gz CAHWGVLKNYIODJ-SFHVURJKSA-N 1 2 330.359 3.350 10 5 EGBELO COc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596172033 459546904 /nfs/dbraw/zinc/54/69/04/459546904.db2.gz IAWNWQVGOCEADT-LLVKDONJSA-N 1 2 348.790 3.343 10 5 EGBELO Cc1cn2c([nH+]1)CN(c1ccc(C(F)(F)F)c([N+](=O)[O-])c1)CC2 ZINC000596190806 459554969 /nfs/dbraw/zinc/55/49/69/459554969.db2.gz ZHYDBBVPDHHRJC-UHFFFAOYSA-N 1 2 326.278 3.139 10 5 EGBELO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000609358559 459950592 /nfs/dbraw/zinc/95/05/92/459950592.db2.gz KOKGFROZTATNFS-LBPRGKRZSA-N 1 2 335.433 3.215 10 5 EGBELO Cc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598938609 460095471 /nfs/dbraw/zinc/09/54/71/460095471.db2.gz BUIAMSNBHOHLDM-FZKQIMNGSA-N 1 2 339.395 3.267 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2Cc3ccccc3[C@H]2C)c1 ZINC000589502307 460096817 /nfs/dbraw/zinc/09/68/17/460096817.db2.gz OBTOPFUFOBJMTC-GFCCVEGCSA-N 1 2 326.352 3.458 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2Cc3ccccc3[C@H]2C)c1 ZINC000589502307 460096821 /nfs/dbraw/zinc/09/68/21/460096821.db2.gz OBTOPFUFOBJMTC-GFCCVEGCSA-N 1 2 326.352 3.458 10 5 EGBELO O=[N+]([O-])c1c(NCc2nnc(C3CC3)s2)ccc2c[nH+]ccc21 ZINC000599092870 460159372 /nfs/dbraw/zinc/15/93/72/460159372.db2.gz QUIXJFPSIXACTK-UHFFFAOYSA-N 1 2 327.369 3.484 10 5 EGBELO CC(C)(C)N1C[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599110300 460164387 /nfs/dbraw/zinc/16/43/87/460164387.db2.gz PMOFKBWRCVUQOC-GFCCVEGCSA-N 1 2 342.399 3.202 10 5 EGBELO CC(=O)c1cc(NC[C@@H]2c3ccccc3C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000866194090 1330076360 /nfs/dbraw/zinc/07/63/60/1330076360.db2.gz GUHFERNFZZIELO-GOSISDBHSA-N 1 2 325.368 3.396 10 5 EGBELO CC(=O)c1cc(NC[C@@H]2c3ccccc3C[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000866194090 1330076362 /nfs/dbraw/zinc/07/63/62/1330076362.db2.gz GUHFERNFZZIELO-GOSISDBHSA-N 1 2 325.368 3.396 10 5 EGBELO Cc1ccc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000866540575 1330124218 /nfs/dbraw/zinc/12/42/18/1330124218.db2.gz QRFUWCSPGUJPNJ-INIZCTEOSA-N 1 2 329.404 3.433 10 5 EGBELO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001125300854 1372768046 /nfs/dbraw/zinc/76/80/46/1372768046.db2.gz FXGQILWAORPLRK-UHFFFAOYSA-N 1 2 344.277 3.311 10 5 EGBELO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001163942316 1383138084 /nfs/dbraw/zinc/13/80/84/1383138084.db2.gz UBVHPPROKWMIME-INIZCTEOSA-N 1 2 328.328 3.102 10 5 EGBELO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001163942316 1383138085 /nfs/dbraw/zinc/13/80/85/1383138085.db2.gz UBVHPPROKWMIME-INIZCTEOSA-N 1 2 328.328 3.102 10 5 EGBELO C[C@H]([NH2+]Cc1nnc(-c2cccc(O)c2)o1)c1ccc([N+](=O)[O-])cc1 ZINC001176035666 1385468710 /nfs/dbraw/zinc/46/87/10/1385468710.db2.gz ACJNHZLWBAVWRD-NSHDSACASA-N 1 2 340.339 3.201 10 5 EGBELO CCc1[nH]c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c[nH+]1 ZINC001178662142 1386272164 /nfs/dbraw/zinc/27/21/64/1386272164.db2.gz GZDTWWLOTZYCAZ-UHFFFAOYSA-N 1 2 330.369 3.025 10 5 EGBELO CCc1[nH]cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH+]1 ZINC001178662142 1386272170 /nfs/dbraw/zinc/27/21/70/1386272170.db2.gz GZDTWWLOTZYCAZ-UHFFFAOYSA-N 1 2 330.369 3.025 10 5 EGBELO CC1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001351501377 1391645729 /nfs/dbraw/zinc/64/57/29/1391645729.db2.gz FAVGAGOSUJDSRK-UHFFFAOYSA-N 1 2 342.399 3.337 10 5 EGBELO C[NH+](C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001355016509 1392185943 /nfs/dbraw/zinc/18/59/43/1392185943.db2.gz SVSKWFIXCMDJDC-HNNXBMFYSA-N 1 2 333.775 3.490 10 5 EGBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246894689 141042345 /nfs/dbraw/zinc/04/23/45/141042345.db2.gz GTILQAOJABEDKB-WFASDCNBSA-N 1 2 329.356 3.352 10 5 EGBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246894689 141042346 /nfs/dbraw/zinc/04/23/46/141042346.db2.gz GTILQAOJABEDKB-WFASDCNBSA-N 1 2 329.356 3.352 10 5 EGBELO CC(C)COC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000054322452 307337606 /nfs/dbraw/zinc/33/76/06/307337606.db2.gz PJXRNVWMBGNFSB-CQSZACIVSA-N 1 2 349.431 3.059 10 5 EGBELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155106732 307807608 /nfs/dbraw/zinc/80/76/08/307807608.db2.gz AWNHCZVXJPWVGM-LLVKDONJSA-N 1 2 347.346 3.032 10 5 EGBELO Cc1cc(C)c(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000456835622 310424587 /nfs/dbraw/zinc/42/45/87/310424587.db2.gz IWNAYPZNLACZQL-UHFFFAOYSA-N 1 2 333.775 3.498 10 5 EGBELO Cc1cccc2[nH+]c(CNc3c4ccccc4ncc3[N+](=O)[O-])cn21 ZINC000488062261 311049636 /nfs/dbraw/zinc/04/96/36/311049636.db2.gz FNUNXDGWCWIPBY-UHFFFAOYSA-N 1 2 333.351 3.133 10 5 EGBELO C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000488076160 311050319 /nfs/dbraw/zinc/05/03/19/311050319.db2.gz DTAHQBWTPWWTBW-DYVFJYSZSA-N 1 2 337.383 3.427 10 5 EGBELO Cc1cccn2cc(CNc3c4ccccc4ncc3[N+](=O)[O-])[nH+]c12 ZINC000488105458 311051388 /nfs/dbraw/zinc/05/13/88/311051388.db2.gz VQWVYRHPOAGENO-UHFFFAOYSA-N 1 2 333.351 3.133 10 5 EGBELO CCN(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000536005799 314086969 /nfs/dbraw/zinc/08/69/69/314086969.db2.gz MMNKPYCUHABYME-UHFFFAOYSA-N 1 2 345.443 3.134 10 5 EGBELO CCN(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000536005799 314086972 /nfs/dbraw/zinc/08/69/72/314086972.db2.gz MMNKPYCUHABYME-UHFFFAOYSA-N 1 2 345.443 3.134 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000027599463 453819488 /nfs/dbraw/zinc/81/94/88/453819488.db2.gz DUGOBELKLIKMMQ-CQSZACIVSA-N 1 2 333.432 3.236 10 5 EGBELO Cc1cc(NC(=O)NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000097049338 454397419 /nfs/dbraw/zinc/39/74/19/454397419.db2.gz NEBHZYZDTLXLPZ-UHFFFAOYSA-N 1 2 331.376 3.077 10 5 EGBELO CC(=O)Nc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153027796 454754201 /nfs/dbraw/zinc/75/42/01/454754201.db2.gz KAKDESUASZPSJD-UHFFFAOYSA-N 1 2 325.368 3.112 10 5 EGBELO CC(=O)Nc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153027796 454754202 /nfs/dbraw/zinc/75/42/02/454754202.db2.gz KAKDESUASZPSJD-UHFFFAOYSA-N 1 2 325.368 3.112 10 5 EGBELO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153293366 454779511 /nfs/dbraw/zinc/77/95/11/454779511.db2.gz FNZLKCRVUIAJMC-SOUVJXGZSA-N 1 2 345.443 3.131 10 5 EGBELO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153293366 454779514 /nfs/dbraw/zinc/77/95/14/454779514.db2.gz FNZLKCRVUIAJMC-SOUVJXGZSA-N 1 2 345.443 3.131 10 5 EGBELO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(C4CC4)CC3)o2)cc1 ZINC000127902349 455007600 /nfs/dbraw/zinc/00/76/00/455007600.db2.gz WUOKYVCPFVGXGW-UHFFFAOYSA-N 1 2 327.384 3.135 10 5 EGBELO Cc1cnc(CC[N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000284146946 455642229 /nfs/dbraw/zinc/64/22/29/455642229.db2.gz QJGPETMSJBCOMQ-UHFFFAOYSA-N 1 2 327.356 3.312 10 5 EGBELO Cc1cnc(CC[N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)s1 ZINC000284146946 455642236 /nfs/dbraw/zinc/64/22/36/455642236.db2.gz QJGPETMSJBCOMQ-UHFFFAOYSA-N 1 2 327.356 3.312 10 5 EGBELO C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000271591313 455694107 /nfs/dbraw/zinc/69/41/07/455694107.db2.gz FZRDKERMSYPTQD-ACJLOTCBSA-N 1 2 339.395 3.265 10 5 EGBELO Cc1csc([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000195384963 455954313 /nfs/dbraw/zinc/95/43/13/455954313.db2.gz AHMQOFKYDNMVNE-OAHLLOKOSA-N 1 2 333.413 3.242 10 5 EGBELO Cc1csc([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000195384963 455954319 /nfs/dbraw/zinc/95/43/19/455954319.db2.gz AHMQOFKYDNMVNE-OAHLLOKOSA-N 1 2 333.413 3.242 10 5 EGBELO CCc1nc([C@@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000363013542 457194996 /nfs/dbraw/zinc/19/49/96/457194996.db2.gz CFEWAHBBLNCALE-HNNXBMFYSA-N 1 2 330.388 3.310 10 5 EGBELO CCc1nc([C@@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000363013542 457195000 /nfs/dbraw/zinc/19/50/00/457195000.db2.gz CFEWAHBBLNCALE-HNNXBMFYSA-N 1 2 330.388 3.310 10 5 EGBELO Cc1nc([C@H]2CCCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363012225 457195714 /nfs/dbraw/zinc/19/57/14/457195714.db2.gz CZDUIQOXCDJDCZ-MRXNPFEDSA-N 1 2 346.387 3.282 10 5 EGBELO Cc1nc([C@H]2CCCC[N@H+]2CCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363012225 457195720 /nfs/dbraw/zinc/19/57/20/457195720.db2.gz CZDUIQOXCDJDCZ-MRXNPFEDSA-N 1 2 346.387 3.282 10 5 EGBELO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448218 457557092 /nfs/dbraw/zinc/55/70/92/457557092.db2.gz RAUXJWAUZIJFHL-DDFAGTSDSA-N 1 2 343.221 3.091 10 5 EGBELO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448218 457557101 /nfs/dbraw/zinc/55/71/01/457557101.db2.gz RAUXJWAUZIJFHL-DDFAGTSDSA-N 1 2 343.221 3.091 10 5 EGBELO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000366548722 457848012 /nfs/dbraw/zinc/84/80/12/457848012.db2.gz TYSKKUZMWRAKRA-UHFFFAOYSA-N 1 2 337.339 3.249 10 5 EGBELO Cc1ccc(C)c(OCCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000411481739 457899483 /nfs/dbraw/zinc/89/94/83/457899483.db2.gz RBVLESNWUQVNLH-UHFFFAOYSA-N 1 2 341.411 3.434 10 5 EGBELO Cc1ccc(C)c(OCCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000411481739 457899485 /nfs/dbraw/zinc/89/94/85/457899485.db2.gz RBVLESNWUQVNLH-UHFFFAOYSA-N 1 2 341.411 3.434 10 5 EGBELO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412046387 458064265 /nfs/dbraw/zinc/06/42/65/458064265.db2.gz REBUDSAXANHSOG-SNVBAGLBSA-N 1 2 325.796 3.307 10 5 EGBELO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412046387 458064270 /nfs/dbraw/zinc/06/42/70/458064270.db2.gz REBUDSAXANHSOG-SNVBAGLBSA-N 1 2 325.796 3.307 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000430215670 458423528 /nfs/dbraw/zinc/42/35/28/458423528.db2.gz CZMBMLDPOFQTQZ-UHFFFAOYSA-N 1 2 345.374 3.065 10 5 EGBELO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595064157 459232790 /nfs/dbraw/zinc/23/27/90/459232790.db2.gz DRTLRSUVRBDWBN-ONERCXAPSA-N 1 2 327.388 3.204 10 5 EGBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000561021004 459412484 /nfs/dbraw/zinc/41/24/84/459412484.db2.gz DGBRTRPCXRDKQS-JTQLQIEISA-N 1 2 338.257 3.010 10 5 EGBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000561021004 459412486 /nfs/dbraw/zinc/41/24/86/459412486.db2.gz DGBRTRPCXRDKQS-JTQLQIEISA-N 1 2 338.257 3.010 10 5 EGBELO O=C(C[N@@H+]1CCC[C@@H](CCF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595755373 459427610 /nfs/dbraw/zinc/42/76/10/459427610.db2.gz MEEMOCAYRQZAGJ-NSHDSACASA-N 1 2 343.786 3.258 10 5 EGBELO O=C(C[N@H+]1CCC[C@@H](CCF)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595755373 459427613 /nfs/dbraw/zinc/42/76/13/459427613.db2.gz MEEMOCAYRQZAGJ-NSHDSACASA-N 1 2 343.786 3.258 10 5 EGBELO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888205 459475182 /nfs/dbraw/zinc/47/51/82/459475182.db2.gz CVMUDOROPANFRK-FZMZJTMJSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595888205 459475188 /nfs/dbraw/zinc/47/51/88/459475188.db2.gz CVMUDOROPANFRK-FZMZJTMJSA-N 1 2 348.321 3.015 10 5 EGBELO COc1ccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000542647199 459578363 /nfs/dbraw/zinc/57/83/63/459578363.db2.gz AOQBEHNHORDYPL-GOSISDBHSA-N 1 2 334.416 3.385 10 5 EGBELO COc1ccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000542647199 459578367 /nfs/dbraw/zinc/57/83/67/459578367.db2.gz AOQBEHNHORDYPL-GOSISDBHSA-N 1 2 334.416 3.385 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000545171274 459806634 /nfs/dbraw/zinc/80/66/34/459806634.db2.gz QLAKLYHWBLTTTQ-ZDUSSCGKSA-N 1 2 337.401 3.052 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000545171274 459806638 /nfs/dbraw/zinc/80/66/38/459806638.db2.gz QLAKLYHWBLTTTQ-ZDUSSCGKSA-N 1 2 337.401 3.052 10 5 EGBELO Cc1cc(N2CC[C@H](C(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000588040902 459904947 /nfs/dbraw/zinc/90/49/47/459904947.db2.gz WEPJCMOTEAACAK-LBPRGKRZSA-N 1 2 334.326 3.452 10 5 EGBELO CCO[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@]12CCCO2 ZINC000599067393 460148787 /nfs/dbraw/zinc/14/87/87/460148787.db2.gz VVXFUQWWKSDAIN-JFIYKMOQSA-N 1 2 343.383 3.282 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCOC[C@H](C2CCC2)C1 ZINC000599081540 460154893 /nfs/dbraw/zinc/15/48/93/460154893.db2.gz OKMMZASNEDTGBN-OAHLLOKOSA-N 1 2 327.384 3.396 10 5 EGBELO COC(=O)[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])CC1CC1 ZINC000599095831 460161083 /nfs/dbraw/zinc/16/10/83/460161083.db2.gz IJWCQYPZJCFHGC-CYBMUJFWSA-N 1 2 329.356 3.144 10 5 EGBELO Cc1noc(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)c1[N+](=O)[O-] ZINC000599637351 460294948 /nfs/dbraw/zinc/29/49/48/460294948.db2.gz SIDLSUSUBNTXJW-UHFFFAOYSA-N 1 2 341.289 3.468 10 5 EGBELO Cc1noc(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)c1[N+](=O)[O-] ZINC000599637351 460294952 /nfs/dbraw/zinc/29/49/52/460294952.db2.gz SIDLSUSUBNTXJW-UHFFFAOYSA-N 1 2 341.289 3.468 10 5 EGBELO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H](CCF)C3)o2)cc1 ZINC000600204898 460437748 /nfs/dbraw/zinc/43/77/48/460437748.db2.gz OIADZRZBKWBIHN-OAHLLOKOSA-N 1 2 334.347 3.415 10 5 EGBELO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H](CCF)C3)o2)cc1 ZINC000600204898 460437754 /nfs/dbraw/zinc/43/77/54/460437754.db2.gz OIADZRZBKWBIHN-OAHLLOKOSA-N 1 2 334.347 3.415 10 5 EGBELO CC(C)c1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000190031790 528062532 /nfs/dbraw/zinc/06/25/32/528062532.db2.gz BSTYMHSQKAJWSV-OAHLLOKOSA-N 1 2 342.399 3.220 10 5 EGBELO CC[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1cccc([N+](=O)[O-])c1 ZINC000181525567 529191266 /nfs/dbraw/zinc/19/12/66/529191266.db2.gz SCHFJLSYXQBCMA-CYBMUJFWSA-N 1 2 328.328 3.479 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924953954 1323227175 /nfs/dbraw/zinc/22/71/75/1323227175.db2.gz GMMMFBIPHUYHCZ-CQSZACIVSA-N 1 2 333.775 3.429 10 5 EGBELO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccnn1C ZINC000865838473 1329743999 /nfs/dbraw/zinc/74/39/99/1329743999.db2.gz JETMIYZUAZXGTG-NSHDSACASA-N 1 2 343.412 3.303 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001308033416 1384077783 /nfs/dbraw/zinc/07/77/83/1384077783.db2.gz BLYYNBUWFTUNAJ-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001308033416 1384077788 /nfs/dbraw/zinc/07/77/88/1384077788.db2.gz BLYYNBUWFTUNAJ-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO O=C(Nc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001351317466 1391625773 /nfs/dbraw/zinc/62/57/73/1391625773.db2.gz IHEWJISBZISNMM-UHFFFAOYSA-N 1 2 344.277 3.311 10 5 EGBELO CCC(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001733833384 1430104557 /nfs/dbraw/zinc/10/45/57/1430104557.db2.gz JMUDKXXLMLZTCR-UHFFFAOYSA-N 1 2 339.395 3.137 10 5 EGBELO CCC(=O)NCc1ccc2c(c1)C[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001733833384 1430104560 /nfs/dbraw/zinc/10/45/60/1430104560.db2.gz JMUDKXXLMLZTCR-UHFFFAOYSA-N 1 2 339.395 3.137 10 5 EGBELO CC/C(C)=C/C(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001734624483 1438190277 /nfs/dbraw/zinc/19/02/77/1438190277.db2.gz WRRJRKVAGVNHCY-MDWZMJQESA-N 1 2 349.456 3.261 10 5 EGBELO CC/C(C)=C/C(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001734624483 1438190279 /nfs/dbraw/zinc/19/02/79/1438190279.db2.gz WRRJRKVAGVNHCY-MDWZMJQESA-N 1 2 349.456 3.261 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000178245424 207460447 /nfs/dbraw/zinc/46/04/47/207460447.db2.gz QZEJLBBYIVQSER-VXGBXAGGSA-N 1 2 331.338 3.224 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116292918 152055690 /nfs/dbraw/zinc/05/56/90/152055690.db2.gz POQKOKUCBHWNTQ-OAHLLOKOSA-N 1 2 329.356 3.272 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116292918 152055695 /nfs/dbraw/zinc/05/56/95/152055695.db2.gz POQKOKUCBHWNTQ-OAHLLOKOSA-N 1 2 329.356 3.272 10 5 EGBELO COc1cc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1F ZINC000343885016 164058033 /nfs/dbraw/zinc/05/80/33/164058033.db2.gz PUWWUAHBWINSTP-UHFFFAOYSA-N 1 2 334.351 3.442 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365941278 168062557 /nfs/dbraw/zinc/06/25/57/168062557.db2.gz JJMMKWQEUJRXDG-UHFFFAOYSA-N 1 2 329.360 3.038 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365941278 168062559 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3.041 10 5 EGBELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413221015 309022276 /nfs/dbraw/zinc/02/22/76/309022276.db2.gz RDROAHZHZJSXIO-LBPRGKRZSA-N 1 2 348.353 3.151 10 5 EGBELO CC[C@H](NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000455487808 310363380 /nfs/dbraw/zinc/36/33/80/310363380.db2.gz QMNYOJVTBMOTPH-CQDKDKBSSA-N 1 2 343.387 3.248 10 5 EGBELO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000570959235 317133097 /nfs/dbraw/zinc/13/30/97/317133097.db2.gz YETYESWMKUPUIN-RYUDHWBXSA-N 1 2 340.387 3.343 10 5 EGBELO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000180941334 455267522 /nfs/dbraw/zinc/26/75/22/455267522.db2.gz JOWXUIOKKBAJIF-UHFFFAOYSA-N 1 2 349.456 3.016 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000183304653 455274463 /nfs/dbraw/zinc/27/44/63/455274463.db2.gz YWPUQSOWJHRHKB-UHFFFAOYSA-N 1 2 345.443 3.128 10 5 EGBELO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccs1 ZINC000032475858 453874454 /nfs/dbraw/zinc/87/44/54/453874454.db2.gz MPZUSCIHFVWSGG-NSHDSACASA-N 1 2 342.380 3.333 10 5 EGBELO Cc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(-c2cccnc2)[nH+]1 ZINC000129632557 455119273 /nfs/dbraw/zinc/11/92/73/455119273.db2.gz LKYATBVYJDEKJW-UHFFFAOYSA-N 1 2 335.367 3.410 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000183351745 455282313 /nfs/dbraw/zinc/28/23/13/455282313.db2.gz MQNHGDMEFWHXSI-SFHVURJKSA-N 1 2 328.368 3.182 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000183351745 455282316 /nfs/dbraw/zinc/28/23/16/455282316.db2.gz MQNHGDMEFWHXSI-SFHVURJKSA-N 1 2 328.368 3.182 10 5 EGBELO CC[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181540865 455351821 /nfs/dbraw/zinc/35/18/21/455351821.db2.gz FLYCWNLCJXLJGI-CYBMUJFWSA-N 1 2 328.328 3.479 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247573797 455627118 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10 5 EGBELO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000301234134 456829576 /nfs/dbraw/zinc/82/95/76/456829576.db2.gz GVVLDLCRSWHSGV-GFCCVEGCSA-N 1 2 348.353 3.345 10 5 EGBELO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339044309 456914317 /nfs/dbraw/zinc/91/43/17/456914317.db2.gz QBNBXDQDZVDBTM-XIKOKIGWSA-N 1 2 328.368 3.124 10 5 EGBELO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339044309 456914322 /nfs/dbraw/zinc/91/43/22/456914322.db2.gz QBNBXDQDZVDBTM-XIKOKIGWSA-N 1 2 328.368 3.124 10 5 EGBELO Cc1[nH]c2ccc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)cc2[nH+]1 ZINC000358859416 457009479 /nfs/dbraw/zinc/00/94/79/457009479.db2.gz IWMBYPOELCCFAJ-UHFFFAOYSA-N 1 2 334.339 3.086 10 5 EGBELO Cc1[nH]c2cc(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)ccc2[nH+]1 ZINC000358859416 457009485 /nfs/dbraw/zinc/00/94/85/457009485.db2.gz IWMBYPOELCCFAJ-UHFFFAOYSA-N 1 2 334.339 3.086 10 5 EGBELO Cc1cn2c([nH+]1)CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000374702989 457691290 /nfs/dbraw/zinc/69/12/90/457691290.db2.gz UBUNKCRDNHBDIE-UHFFFAOYSA-N 1 2 338.367 3.376 10 5 EGBELO O=C1C[C@@]2(CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411992131 458038203 /nfs/dbraw/zinc/03/82/03/458038203.db2.gz UWAONKDBCVJAHT-QGZVFWFLSA-N 1 2 344.392 3.266 10 5 EGBELO O=C1C[C@@]2(CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411992131 458038210 /nfs/dbraw/zinc/03/82/10/458038210.db2.gz UWAONKDBCVJAHT-QGZVFWFLSA-N 1 2 344.392 3.266 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000375915411 458123876 /nfs/dbraw/zinc/12/38/76/458123876.db2.gz XJVXZDLAAVDTHY-LBPRGKRZSA-N 1 2 342.399 3.290 10 5 EGBELO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)[C@H](C)O1 ZINC000446074915 458141856 /nfs/dbraw/zinc/14/18/56/458141856.db2.gz ZUWSDRNCDIBLTF-AGIUHOORSA-N 1 2 331.372 3.248 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)[C@H](C)O1 ZINC000446074915 458141861 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C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361063722 457558787 /nfs/dbraw/zinc/55/87/87/457558787.db2.gz UXMHAHHVVQUOER-OLZOCXBDSA-N 1 2 325.368 3.499 10 5 EGBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361063722 457558796 /nfs/dbraw/zinc/55/87/96/457558796.db2.gz UXMHAHHVVQUOER-OLZOCXBDSA-N 1 2 325.368 3.499 10 5 EGBELO COC(=O)c1cc(NCc2[nH+]ccn2CC(C)C)cc(C)c1[N+](=O)[O-] ZINC000433405568 457829872 /nfs/dbraw/zinc/82/98/72/457829872.db2.gz HEHRNVBVUSIEFV-UHFFFAOYSA-N 1 2 346.387 3.154 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000371508917 457967161 /nfs/dbraw/zinc/96/71/61/457967161.db2.gz AZSYGJJNNLJDTB-UHFFFAOYSA-N 1 2 336.351 3.019 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)N(Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000445755854 458085272 /nfs/dbraw/zinc/08/52/72/458085272.db2.gz BUKZKYXSSNCCQO-UHFFFAOYSA-N 1 2 334.379 3.402 10 5 EGBELO CCn1c2ccc(F)cc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1C ZINC000436021832 458238081 /nfs/dbraw/zinc/23/80/81/458238081.db2.gz QTFVAMXFPMISIH-UHFFFAOYSA-N 1 2 328.347 3.446 10 5 EGBELO COc1cc(N(C)Cc2[nH+]cc(C)c(OC)c2C)c([N+](=O)[O-])cc1F ZINC000467782891 458987288 /nfs/dbraw/zinc/98/72/88/458987288.db2.gz CFMPXODBWRRGLV-UHFFFAOYSA-N 1 2 349.362 3.399 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484567651 459420773 /nfs/dbraw/zinc/42/07/73/459420773.db2.gz NZCHOKOYDGQFIZ-WBVHZDCISA-N 1 2 342.395 3.436 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484567651 459420778 /nfs/dbraw/zinc/42/07/78/459420778.db2.gz NZCHOKOYDGQFIZ-WBVHZDCISA-N 1 2 342.395 3.436 10 5 EGBELO CC(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000569458622 459454892 /nfs/dbraw/zinc/45/48/92/459454892.db2.gz DCWCCSGTSBZQAF-KRWDZBQOSA-N 1 2 336.457 3.426 10 5 EGBELO CC(C)c1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000569458622 459454901 /nfs/dbraw/zinc/45/49/01/459454901.db2.gz DCWCCSGTSBZQAF-KRWDZBQOSA-N 1 2 336.457 3.426 10 5 EGBELO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1nccs1)[C@H]1CC[C@H](O)CC1 ZINC000592132548 459532777 /nfs/dbraw/zinc/53/27/77/459532777.db2.gz IVLVXYFFFRGLGO-SHTZXODSSA-N 1 2 347.440 3.357 10 5 EGBELO O=[N+]([O-])c1ccccc1C[N@H+](Cc1nccs1)[C@H]1CC[C@H](O)CC1 ZINC000592132548 459532779 /nfs/dbraw/zinc/53/27/79/459532779.db2.gz IVLVXYFFFRGLGO-SHTZXODSSA-N 1 2 347.440 3.357 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000544609232 459771986 /nfs/dbraw/zinc/77/19/86/459771986.db2.gz NEBMJZISKXREAM-UHFFFAOYSA-N 1 2 331.441 3.283 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000598650704 459978200 /nfs/dbraw/zinc/97/82/00/459978200.db2.gz WLUXIGATFGZCNE-UHFFFAOYSA-N 1 2 345.399 3.256 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000598650704 459978206 /nfs/dbraw/zinc/97/82/06/459978206.db2.gz WLUXIGATFGZCNE-UHFFFAOYSA-N 1 2 345.399 3.256 10 5 EGBELO O=[N+]([O-])c1c(N[C@H]2CCN(CC(F)(F)F)C2)ccc2c[nH+]ccc21 ZINC000599034981 460135681 /nfs/dbraw/zinc/13/56/81/460135681.db2.gz JTHPZUAQPRJGEW-NSHDSACASA-N 1 2 340.305 3.192 10 5 EGBELO Cc1cc[nH+]c([C@@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)c1 ZINC000599103491 460162061 /nfs/dbraw/zinc/16/20/61/460162061.db2.gz WNXYZUHFWPYPFE-LLVKDONJSA-N 1 2 329.385 3.001 10 5 EGBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610661216 460207272 /nfs/dbraw/zinc/20/72/72/460207272.db2.gz IFLQUKNSBGHSHO-AWEZNQCLSA-N 1 2 343.387 3.277 10 5 EGBELO O=C(N[C@@H]1CC2CCC1CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000351682796 547677947 /nfs/dbraw/zinc/67/79/47/547677947.db2.gz KYKPLZCILDAPTG-SSDMNJCBSA-N 1 2 340.383 3.089 10 5 EGBELO C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085260 1296725149 /nfs/dbraw/zinc/72/51/49/1296725149.db2.gz OEEHVVVGJOSJTH-QMMMGPOBSA-N 1 2 344.268 3.394 10 5 EGBELO C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872087509 1296727115 /nfs/dbraw/zinc/72/71/15/1296727115.db2.gz IZRFSSOUAGFFFM-CABZTGNLSA-N 1 2 346.284 3.385 10 5 EGBELO C[NH+](C)Cc1nc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])co1 ZINC000952995077 1334633082 /nfs/dbraw/zinc/63/30/82/1334633082.db2.gz CHQLTVSKFVDLLG-UHFFFAOYSA-N 1 2 344.293 3.275 10 5 EGBELO O=C(NCC1(CC2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001288391323 1381799749 /nfs/dbraw/zinc/79/97/49/1381799749.db2.gz OLKXFFFBPGKIHA-UHFFFAOYSA-N 1 2 340.383 3.091 10 5 EGBELO Cc1cc(OCc2cccc(C[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC001165303198 1383269807 /nfs/dbraw/zinc/26/98/07/1383269807.db2.gz KFFUSDSNNSAVOA-UHFFFAOYSA-N 1 2 342.395 3.314 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001308168648 1384104791 /nfs/dbraw/zinc/10/47/91/1384104791.db2.gz MJVZCCUVSUYZDJ-INIZCTEOSA-N 1 2 340.395 3.380 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001308168648 1384104793 /nfs/dbraw/zinc/10/47/93/1384104793.db2.gz MJVZCCUVSUYZDJ-INIZCTEOSA-N 1 2 340.395 3.380 10 5 EGBELO Cc1c(C[N@H+](C)CC(=O)NCCC2=CCCCC2)cccc1[N+](=O)[O-] ZINC001176421706 1385582685 /nfs/dbraw/zinc/58/26/85/1385582685.db2.gz HECPJKPZVRUUFA-UHFFFAOYSA-N 1 2 345.443 3.342 10 5 EGBELO Cc1c(C[N@@H+](C)CC(=O)NCCC2=CCCCC2)cccc1[N+](=O)[O-] ZINC001176421706 1385582687 /nfs/dbraw/zinc/58/26/87/1385582687.db2.gz HECPJKPZVRUUFA-UHFFFAOYSA-N 1 2 345.443 3.342 10 5 EGBELO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC001354541210 1392151564 /nfs/dbraw/zinc/15/15/64/1392151564.db2.gz DIRWABMJXLSJCG-UHFFFAOYSA-N 1 2 326.287 3.172 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266471856 248318310 /nfs/dbraw/zinc/31/83/10/248318310.db2.gz OBXHPRLNBWQHIV-LLVKDONJSA-N 1 2 331.328 3.362 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268619810 252074760 /nfs/dbraw/zinc/07/47/60/252074760.db2.gz BFRDANCHGDTAPK-JKIFEVAISA-N 1 2 346.383 3.073 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268619810 252074764 /nfs/dbraw/zinc/07/47/64/252074764.db2.gz BFRDANCHGDTAPK-JKIFEVAISA-N 1 2 346.383 3.073 10 5 EGBELO Cn1cc([C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccc(F)cc2)cn1 ZINC000184606681 144095695 /nfs/dbraw/zinc/09/56/95/144095695.db2.gz DVSHFSRMVWXEOR-INIZCTEOSA-N 1 2 346.387 3.408 10 5 EGBELO COc1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000185181641 144105748 /nfs/dbraw/zinc/10/57/48/144105748.db2.gz YLYSRSAUQYLCCB-UHFFFAOYSA-N 1 2 328.372 3.079 10 5 EGBELO Cc1c([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000130967892 162385708 /nfs/dbraw/zinc/38/57/08/162385708.db2.gz FPVVQANBXOYOOL-QWHCGFSZSA-N 1 2 329.404 3.243 10 5 EGBELO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000131053285 162388500 /nfs/dbraw/zinc/38/85/00/162388500.db2.gz MIYCCGMQXDCBOV-SWLSCSKDSA-N 1 2 329.404 3.325 10 5 EGBELO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cn(-c2ccccc2)nn1 ZINC000366976250 168164624 /nfs/dbraw/zinc/16/46/24/168164624.db2.gz OFGGNWHHMIBKDL-GFCCVEGCSA-N 1 2 341.346 3.165 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175733464 265132738 /nfs/dbraw/zinc/13/27/38/265132738.db2.gz RBDONDBSJJUNLC-ZDUSSCGKSA-N 1 2 345.403 3.008 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000273419907 267036903 /nfs/dbraw/zinc/03/69/03/267036903.db2.gz JFIWYNIZWYHSNJ-UHFFFAOYSA-N 1 2 342.321 3.294 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000194816494 275035553 /nfs/dbraw/zinc/03/55/53/275035553.db2.gz HWWHMZGNDQBPMH-AWEZNQCLSA-N 1 2 347.302 3.256 10 5 EGBELO COc1cc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])cc1F ZINC000338637260 308878595 /nfs/dbraw/zinc/87/85/95/308878595.db2.gz RRTHCLAWPBMFCX-UHFFFAOYSA-N 1 2 330.319 3.273 10 5 EGBELO C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000412765000 309001665 /nfs/dbraw/zinc/00/16/65/309001665.db2.gz MLWIXDDRFXDQGQ-GFCCVEGCSA-N 1 2 328.372 3.041 10 5 EGBELO Cc1cc(N[C@@H]2CSC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000549219505 315082282 /nfs/dbraw/zinc/08/22/82/315082282.db2.gz OPIBLNQSUJFWHJ-CYBMUJFWSA-N 1 2 330.413 3.088 10 5 EGBELO Cc1noc(C)c1C[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000067411021 453929213 /nfs/dbraw/zinc/92/92/13/453929213.db2.gz XHNUTQIHEJXCPG-AWEZNQCLSA-N 1 2 344.415 3.078 10 5 EGBELO Cc1noc(C)c1CN1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000067411021 453929214 /nfs/dbraw/zinc/92/92/14/453929214.db2.gz XHNUTQIHEJXCPG-AWEZNQCLSA-N 1 2 344.415 3.078 10 5 EGBELO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(C)nc32)cc1[N+](=O)[O-] ZINC000090224827 454295210 /nfs/dbraw/zinc/29/52/10/454295210.db2.gz HQVWYSFARPUDPD-RISCZKNCSA-N 1 2 345.403 3.079 10 5 EGBELO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000079109597 454369192 /nfs/dbraw/zinc/36/91/92/454369192.db2.gz JQMXSHPMRJELCF-UHFFFAOYSA-N 1 2 333.775 3.319 10 5 EGBELO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000079109597 454369195 /nfs/dbraw/zinc/36/91/95/454369195.db2.gz JQMXSHPMRJELCF-UHFFFAOYSA-N 1 2 333.775 3.319 10 5 EGBELO COC(=O)[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154515474 454903919 /nfs/dbraw/zinc/90/39/19/454903919.db2.gz LHOMZIBCIRZESJ-KBXCAEBGSA-N 1 2 342.395 3.420 10 5 EGBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000185701012 455601090 /nfs/dbraw/zinc/60/10/90/455601090.db2.gz QUWUOTSXYKYMNC-DBTPVHCXSA-N 1 2 340.383 3.475 10 5 EGBELO COc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])cc1F ZINC000268146626 455601559 /nfs/dbraw/zinc/60/15/59/455601559.db2.gz JIRNRSVWBFTCPD-UHFFFAOYSA-N 1 2 346.362 3.350 10 5 EGBELO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000192516407 455634861 /nfs/dbraw/zinc/63/48/61/455634861.db2.gz BVADKHRYRXAPHZ-AAEUAGOBSA-N 1 2 340.355 3.187 10 5 EGBELO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000192516407 455634864 /nfs/dbraw/zinc/63/48/64/455634864.db2.gz BVADKHRYRXAPHZ-AAEUAGOBSA-N 1 2 340.355 3.187 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(NCc3cc[nH+]c(N4CCCC4)c3)nc2c1 ZINC000278175362 455777936 /nfs/dbraw/zinc/77/79/36/455777936.db2.gz BFEYVYMAHHTUHF-UHFFFAOYSA-N 1 2 338.371 3.078 10 5 EGBELO Cn1nccc1C1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000285615842 455882998 /nfs/dbraw/zinc/88/29/98/455882998.db2.gz NBGWPJBULMCPKZ-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO Cn1nccc1C1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000285615842 455883003 /nfs/dbraw/zinc/88/30/03/455883003.db2.gz NBGWPJBULMCPKZ-UHFFFAOYSA-N 1 2 332.791 3.271 10 5 EGBELO Cc1c(NCc2[nH+]ccn2C)cc(Br)cc1[N+](=O)[O-] ZINC000280335165 455949717 /nfs/dbraw/zinc/94/97/17/455949717.db2.gz GHBNSMFKOUYRJU-UHFFFAOYSA-N 1 2 325.166 3.011 10 5 EGBELO CCc1cc(N[C@@H](C)[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301357641 456097847 /nfs/dbraw/zinc/09/78/47/456097847.db2.gz NQUXBUMUCLULLW-RYUDHWBXSA-N 1 2 330.388 3.043 10 5 EGBELO Cc1cc(N2CCCSCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299397533 456680145 /nfs/dbraw/zinc/68/01/45/456680145.db2.gz WRTLMHBLABDEGL-UHFFFAOYSA-N 1 2 330.413 3.304 10 5 EGBELO COc1cc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000348575201 456774758 /nfs/dbraw/zinc/77/47/58/456774758.db2.gz LTYZSUYLKFQTLY-JTQLQIEISA-N 1 2 334.376 3.135 10 5 EGBELO COc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c(C)c1OC ZINC000339206013 456992412 /nfs/dbraw/zinc/99/24/12/456992412.db2.gz NPSKOTWUYSWGTM-LBPRGKRZSA-N 1 2 346.383 3.477 10 5 EGBELO COC(=O)c1cc(NCc2ccc(C)[nH+]c2C)c(C)c([N+](=O)[O-])c1 ZINC000362761534 457082584 /nfs/dbraw/zinc/08/25/84/457082584.db2.gz ZHBUFOCMSCEMAG-UHFFFAOYSA-N 1 2 329.356 3.314 10 5 EGBELO COc1cc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000352525819 457440473 /nfs/dbraw/zinc/44/04/73/457440473.db2.gz ITGVWFZGWANENO-UHFFFAOYSA-N 1 2 334.322 3.440 10 5 EGBELO COc1cc(C[N@H+]2CCc3c(F)cc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000352525819 457440483 /nfs/dbraw/zinc/44/04/83/457440483.db2.gz ITGVWFZGWANENO-UHFFFAOYSA-N 1 2 334.322 3.440 10 5 EGBELO CO[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000425450988 457559624 /nfs/dbraw/zinc/55/96/24/457559624.db2.gz VGZPSWAKEMGFCN-HZMBPMFUSA-N 1 2 343.221 3.214 10 5 EGBELO CO[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000425450988 457559629 /nfs/dbraw/zinc/55/96/29/457559629.db2.gz VGZPSWAKEMGFCN-HZMBPMFUSA-N 1 2 343.221 3.214 10 5 EGBELO C[C@H]1c2ccccc2C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361072966 457564855 /nfs/dbraw/zinc/56/48/55/457564855.db2.gz KUJVGWDHPJQFFY-ZDUSSCGKSA-N 1 2 337.379 3.061 10 5 EGBELO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361072966 457564860 /nfs/dbraw/zinc/56/48/60/457564860.db2.gz KUJVGWDHPJQFFY-ZDUSSCGKSA-N 1 2 337.379 3.061 10 5 EGBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459763997 458471743 /nfs/dbraw/zinc/47/17/43/458471743.db2.gz NFTFXSAWGKKUTE-HNNXBMFYSA-N 1 2 348.786 3.004 10 5 EGBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459763997 458471745 /nfs/dbraw/zinc/47/17/45/458471745.db2.gz NFTFXSAWGKKUTE-HNNXBMFYSA-N 1 2 348.786 3.004 10 5 EGBELO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000594713176 459137584 /nfs/dbraw/zinc/13/75/84/459137584.db2.gz UGSRLGASWLDMJS-WDEREUQCSA-N 1 2 334.401 3.038 10 5 EGBELO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595288083 459267278 /nfs/dbraw/zinc/26/72/78/459267278.db2.gz YEBRZQCUKKGNNT-CQSZACIVSA-N 1 2 347.371 3.246 10 5 EGBELO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595288083 459267283 /nfs/dbraw/zinc/26/72/83/459267283.db2.gz YEBRZQCUKKGNNT-CQSZACIVSA-N 1 2 347.371 3.246 10 5 EGBELO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000595532451 459335924 /nfs/dbraw/zinc/33/59/24/459335924.db2.gz WEZSOZOTNXGWCD-AEFFLSMTSA-N 1 2 348.349 3.034 10 5 EGBELO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000595532451 459335927 /nfs/dbraw/zinc/33/59/27/459335927.db2.gz WEZSOZOTNXGWCD-AEFFLSMTSA-N 1 2 348.349 3.034 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000595704883 459405412 /nfs/dbraw/zinc/40/54/12/459405412.db2.gz RNGFDWFOBKRINV-MRXNPFEDSA-N 1 2 344.342 3.468 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)c1 ZINC000595704883 459405421 /nfs/dbraw/zinc/40/54/21/459405421.db2.gz RNGFDWFOBKRINV-MRXNPFEDSA-N 1 2 344.342 3.468 10 5 EGBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484567648 459419850 /nfs/dbraw/zinc/41/98/50/459419850.db2.gz NZCHOKOYDGQFIZ-DOTOQJQBSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484567648 459419856 /nfs/dbraw/zinc/41/98/56/459419856.db2.gz NZCHOKOYDGQFIZ-DOTOQJQBSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595889971 459477012 /nfs/dbraw/zinc/47/70/12/459477012.db2.gz JZJYXDSUAGYFQI-NWDGAFQWSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H](CC(F)(F)F)O1 ZINC000595889971 459477014 /nfs/dbraw/zinc/47/70/14/459477014.db2.gz JZJYXDSUAGYFQI-NWDGAFQWSA-N 1 2 348.321 3.015 10 5 EGBELO COc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596111974 459526071 /nfs/dbraw/zinc/52/60/71/459526071.db2.gz GBWMWNZDALDZJN-NSHDSACASA-N 1 2 336.779 3.295 10 5 EGBELO CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl)c1[nH]cc[nH+]1 ZINC000596202045 459558969 /nfs/dbraw/zinc/55/89/69/459558969.db2.gz PYNRDTNKVJACAF-MRVPVSSYSA-N 1 2 338.751 3.321 10 5 EGBELO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@](C)(C(F)F)O1 ZINC000596572640 459682180 /nfs/dbraw/zinc/68/21/80/459682180.db2.gz OFERZRJLUQMJFS-MGPLVRAMSA-N 1 2 337.326 3.392 10 5 EGBELO Cn1cc[nH+]c1[C@H](N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000588232435 459935286 /nfs/dbraw/zinc/93/52/86/459935286.db2.gz HGIXHJCHXRLJQA-ZIAGYGMSSA-N 1 2 336.342 3.195 10 5 EGBELO O=[N+]([O-])c1c(N[C@@H]([C@H](CO)C2CC2)C2CC2)ccc2c[nH+]ccc21 ZINC000599084226 460156701 /nfs/dbraw/zinc/15/67/01/460156701.db2.gz QBKXNCSLQXRCSV-NVXWUHKLSA-N 1 2 327.384 3.352 10 5 EGBELO O=[N+]([O-])c1c(NC[C@@]2(CO)CCc3ccccc32)ccc2c[nH+]ccc21 ZINC000599096893 460160768 /nfs/dbraw/zinc/16/07/68/460160768.db2.gz ZSRBGLNCXUIPML-HXUWFJFHSA-N 1 2 349.390 3.431 10 5 EGBELO COc1cc(NCCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])cc1F ZINC000610716205 460223977 /nfs/dbraw/zinc/22/39/77/460223977.db2.gz GZZDJNOKDNGTRA-UHFFFAOYSA-N 1 2 344.346 3.353 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC(F)(F)C[C@@H]2C)c1 ZINC000599628833 460292498 /nfs/dbraw/zinc/29/24/98/460292498.db2.gz VDYFTCTWKCUGFJ-JTQLQIEISA-N 1 2 328.315 3.001 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC(F)(F)C[C@@H]2C)c1 ZINC000599628833 460292501 /nfs/dbraw/zinc/29/25/01/460292501.db2.gz VDYFTCTWKCUGFJ-JTQLQIEISA-N 1 2 328.315 3.001 10 5 EGBELO CC(C)(C)CC(=O)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611254189 460318318 /nfs/dbraw/zinc/31/83/18/460318318.db2.gz JEOSQBSAIGQWNU-SOFGYWHQSA-N 1 2 345.443 3.188 10 5 EGBELO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872079465 1296723083 /nfs/dbraw/zinc/72/30/83/1296723083.db2.gz YRJQRKUTHYPCOQ-RYUDHWBXSA-N 1 2 346.362 3.115 10 5 EGBELO C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085259 1296725710 /nfs/dbraw/zinc/72/57/10/1296725710.db2.gz OEEHVVVGJOSJTH-MRVPVSSYSA-N 1 2 344.268 3.394 10 5 EGBELO C[C@@H](c1ccc(F)nc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929268179 1328553039 /nfs/dbraw/zinc/55/30/39/1328553039.db2.gz BVOVDQYJDXTMCD-ZDUSSCGKSA-N 1 2 330.363 3.012 10 5 EGBELO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000859382636 1328980424 /nfs/dbraw/zinc/98/04/24/1328980424.db2.gz XVULNJVCSNIXEA-UHFFFAOYSA-N 1 2 341.411 3.110 10 5 EGBELO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000859382636 1328980429 /nfs/dbraw/zinc/98/04/29/1328980429.db2.gz XVULNJVCSNIXEA-UHFFFAOYSA-N 1 2 341.411 3.110 10 5 EGBELO CC(C)C[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)n1cc[nH+]c1 ZINC000923761766 1322804520 /nfs/dbraw/zinc/80/45/20/1322804520.db2.gz SNZMYEGMTVVQPY-AWEZNQCLSA-N 1 2 327.344 3.477 10 5 EGBELO Cc1cn2cc(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001125613629 1372819709 /nfs/dbraw/zinc/81/97/09/1372819709.db2.gz KHJJZHCWYMJAAV-CVEARBPZSA-N 1 2 336.351 3.293 10 5 EGBELO Cc1cn2cc(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001125613630 1372819808 /nfs/dbraw/zinc/81/98/08/1372819808.db2.gz KHJJZHCWYMJAAV-HOTGVXAUSA-N 1 2 336.351 3.293 10 5 EGBELO O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCc2[nH+]c[nH]c2C1 ZINC001163437076 1383051527 /nfs/dbraw/zinc/05/15/27/1383051527.db2.gz JMBCVXBXDGFRQU-UHFFFAOYSA-N 1 2 348.362 3.112 10 5 EGBELO O=C(CCC1CC1)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001725812920 1426490001 /nfs/dbraw/zinc/49/00/01/1426490001.db2.gz NVYYAJHKLDYBKK-UHFFFAOYSA-N 1 2 349.456 3.095 10 5 EGBELO O=C(CCC1CC1)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001725812920 1426490003 /nfs/dbraw/zinc/49/00/03/1426490003.db2.gz NVYYAJHKLDYBKK-UHFFFAOYSA-N 1 2 349.456 3.095 10 5 EGBELO Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175130013 207095628 /nfs/dbraw/zinc/09/56/28/207095628.db2.gz DAOZJTUFQTWCJI-QGZVFWFLSA-N 1 2 342.399 3.099 10 5 EGBELO Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175130013 207095630 /nfs/dbraw/zinc/09/56/30/207095630.db2.gz DAOZJTUFQTWCJI-QGZVFWFLSA-N 1 2 342.399 3.099 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000175148554 144058954 /nfs/dbraw/zinc/05/89/54/144058954.db2.gz ZIDBOVLZKXTARM-UHFFFAOYSA-N 1 2 330.388 3.096 10 5 EGBELO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nccs1 ZINC000119878601 152234386 /nfs/dbraw/zinc/23/43/86/152234386.db2.gz XUNKXXPGDAUUGR-CYBMUJFWSA-N 1 2 335.385 3.159 10 5 EGBELO O=[N+]([O-])c1cc(F)c(NCc2cccnc2-n2cc[nH+]c2)c(F)c1 ZINC000121683519 152364649 /nfs/dbraw/zinc/36/46/49/152364649.db2.gz MNQUOICSNZCSPA-UHFFFAOYSA-N 1 2 331.282 3.066 10 5 EGBELO C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000075292471 287675130 /nfs/dbraw/zinc/67/51/30/287675130.db2.gz XVSCMKFZQQYIEA-CHWSQXEVSA-N 1 2 328.372 3.041 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278616659 275259380 /nfs/dbraw/zinc/25/93/80/275259380.db2.gz FSRBCCDWXIIHMJ-MNOVXSKESA-N 1 2 345.321 3.196 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278616659 275259381 /nfs/dbraw/zinc/25/93/81/275259381.db2.gz FSRBCCDWXIIHMJ-MNOVXSKESA-N 1 2 345.321 3.196 10 5 EGBELO Cc1ccc(-n2c[nH+]c3c2CCN(c2ccncc2[N+](=O)[O-])C3)cc1 ZINC000340862493 280746655 /nfs/dbraw/zinc/74/66/55/280746655.db2.gz GJNSMJQOJCLVBY-UHFFFAOYSA-N 1 2 335.367 3.047 10 5 EGBELO CCc1cnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000441324088 309868202 /nfs/dbraw/zinc/86/82/02/309868202.db2.gz PKRDYFIKPOTRBY-UHFFFAOYSA-N 1 2 346.456 3.244 10 5 EGBELO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000450535836 310128736 /nfs/dbraw/zinc/12/87/36/310128736.db2.gz QAGQIGVVYQGFLK-HDJSIYSDSA-N 1 2 344.419 3.350 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCOCC34CCCCC4)nc2c1 ZINC000451813458 310198518 /nfs/dbraw/zinc/19/85/18/310198518.db2.gz JARILPGNHRSSQH-UHFFFAOYSA-N 1 2 330.388 3.006 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCOCC34CCCCC4)nc2c1 ZINC000451813458 310198519 /nfs/dbraw/zinc/19/85/19/310198519.db2.gz JARILPGNHRSSQH-UHFFFAOYSA-N 1 2 330.388 3.006 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456413637 310405168 /nfs/dbraw/zinc/40/51/68/310405168.db2.gz ICKDLNSYKKEKEP-GXSJLCMTSA-N 1 2 334.763 3.189 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000487166655 311013132 /nfs/dbraw/zinc/01/31/32/311013132.db2.gz PXLOAFQOGOPOEX-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000487166655 311013133 /nfs/dbraw/zinc/01/31/33/311013133.db2.gz PXLOAFQOGOPOEX-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000551315351 315150308 /nfs/dbraw/zinc/15/03/08/315150308.db2.gz UIGQZVDKBKAQBW-GFCCVEGCSA-N 1 2 326.356 3.102 10 5 EGBELO COC(=O)c1cc(F)ccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171618002 323242553 /nfs/dbraw/zinc/24/25/53/323242553.db2.gz ROMOLZBKYYASRT-UHFFFAOYSA-N 1 2 332.331 3.153 10 5 EGBELO COC(=O)c1cc(F)ccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000171618002 323242557 /nfs/dbraw/zinc/24/25/57/323242557.db2.gz ROMOLZBKYYASRT-UHFFFAOYSA-N 1 2 332.331 3.153 10 5 EGBELO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)Cc2ccsc2)c1C ZINC000007927119 453133857 /nfs/dbraw/zinc/13/38/57/453133857.db2.gz NZKRDQPWRCSZPY-UHFFFAOYSA-N 1 2 333.413 3.344 10 5 EGBELO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)Cc2ccsc2)c1C ZINC000007927119 453133869 /nfs/dbraw/zinc/13/38/69/453133869.db2.gz NZKRDQPWRCSZPY-UHFFFAOYSA-N 1 2 333.413 3.344 10 5 EGBELO COc1cc2ncc3c(N)[nH+]c4c(C)c(N)ccc4c3c2cc1OC ZINC000014969811 453549293 /nfs/dbraw/zinc/54/92/93/453549293.db2.gz NVINUNQBDNEMSY-UHFFFAOYSA-N 1 2 334.379 3.426 10 5 in-vivo EGBELO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066851610 453880282 /nfs/dbraw/zinc/88/02/82/453880282.db2.gz YCZFCTMFGIHRBH-HNAYVOBHSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066851610 453880284 /nfs/dbraw/zinc/88/02/84/453880284.db2.gz YCZFCTMFGIHRBH-HNAYVOBHSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000054610819 453938034 /nfs/dbraw/zinc/93/80/34/453938034.db2.gz RFLAXRSNFLURLF-LBPRGKRZSA-N 1 2 339.355 3.233 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000054610819 453938037 /nfs/dbraw/zinc/93/80/37/453938037.db2.gz RFLAXRSNFLURLF-LBPRGKRZSA-N 1 2 339.355 3.233 10 5 EGBELO O=[N+]([O-])c1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000041817255 453979889 /nfs/dbraw/zinc/97/98/89/453979889.db2.gz YVRFYPOPHRRCJW-UHFFFAOYSA-N 1 2 347.718 3.416 10 5 EGBELO O=[N+]([O-])c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000068320676 454016625 /nfs/dbraw/zinc/01/66/25/454016625.db2.gz CFYHODURYMJISR-UHFFFAOYSA-N 1 2 329.747 3.441 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@H](O)c2ccc(F)cc2)c1 ZINC000058281184 454178318 /nfs/dbraw/zinc/17/83/18/454178318.db2.gz PHBIQKJRQPMOOU-INIZCTEOSA-N 1 2 327.315 3.331 10 5 EGBELO Cc1cc(NCCc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000048291097 454468535 /nfs/dbraw/zinc/46/85/35/454468535.db2.gz ZXWDJBPXNOOBJT-UHFFFAOYSA-N 1 2 335.367 3.410 10 5 EGBELO Cc1cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000122432668 454532874 /nfs/dbraw/zinc/53/28/74/454532874.db2.gz PMGDHFGUXWPXDM-UHFFFAOYSA-N 1 2 344.758 3.134 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000092660955 454603147 /nfs/dbraw/zinc/60/31/47/454603147.db2.gz HLKNHBPRGWTOSL-UHFFFAOYSA-N 1 2 346.358 3.483 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081010537 454669668 /nfs/dbraw/zinc/66/96/68/454669668.db2.gz GWFMJMAGBQFONP-HNNXBMFYSA-N 1 2 341.411 3.179 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000081010537 454669671 /nfs/dbraw/zinc/66/96/71/454669671.db2.gz GWFMJMAGBQFONP-HNNXBMFYSA-N 1 2 341.411 3.179 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128308891 455044431 /nfs/dbraw/zinc/04/44/31/455044431.db2.gz LBWWIBCCMRDATL-NEPJUHHUSA-N 1 2 331.338 3.224 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128308891 455044437 /nfs/dbraw/zinc/04/44/37/455044437.db2.gz LBWWIBCCMRDATL-NEPJUHHUSA-N 1 2 331.338 3.224 10 5 EGBELO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000184492408 455389234 /nfs/dbraw/zinc/38/92/34/455389234.db2.gz ZSTQCCVODHFQKS-GFCCVEGCSA-N 1 2 326.418 3.210 10 5 EGBELO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000184492408 455389237 /nfs/dbraw/zinc/38/92/37/455389237.db2.gz ZSTQCCVODHFQKS-GFCCVEGCSA-N 1 2 326.418 3.210 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186024081 455677790 /nfs/dbraw/zinc/67/77/90/455677790.db2.gz OXPDUFOVLGMFCZ-JTQLQIEISA-N 1 2 330.306 3.499 10 5 EGBELO CCn1cc[nH+]c1[C@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296749895 456027973 /nfs/dbraw/zinc/02/79/73/456027973.db2.gz KJVUXLWHIPXKIT-OAHLLOKOSA-N 1 2 340.387 3.419 10 5 EGBELO CN(C[C@H]1CC=CCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343601290 456735370 /nfs/dbraw/zinc/73/53/70/456735370.db2.gz FONMCAFBMICTEV-AWEZNQCLSA-N 1 2 340.383 3.209 10 5 EGBELO Cc1cn2cc(NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)ccc2[nH+]1 ZINC000341929683 457008092 /nfs/dbraw/zinc/00/80/92/457008092.db2.gz KLLCNMADJRVCBN-UHFFFAOYSA-N 1 2 346.293 3.010 10 5 EGBELO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000342060911 457085899 /nfs/dbraw/zinc/08/58/99/457085899.db2.gz KVNULLOIUKTHDE-CYBMUJFWSA-N 1 2 336.351 3.272 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000357274841 457415746 /nfs/dbraw/zinc/41/57/46/457415746.db2.gz CGVQEFWRLLFREC-UHFFFAOYSA-N 1 2 344.415 3.041 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361059127 457553260 /nfs/dbraw/zinc/55/32/60/457553260.db2.gz DWFOFYGHQGHNNZ-OLZOCXBDSA-N 1 2 325.368 3.499 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361059127 457553266 /nfs/dbraw/zinc/55/32/66/457553266.db2.gz DWFOFYGHQGHNNZ-OLZOCXBDSA-N 1 2 325.368 3.499 10 5 EGBELO [NH3+][C@@H](CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)CC1CCCCC1 ZINC000577104255 458980813 /nfs/dbraw/zinc/98/08/13/458980813.db2.gz RYSTULDLLSGGCR-ZDUSSCGKSA-N 1 2 335.404 3.317 10 5 EGBELO Cc1nc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000578450487 459204380 /nfs/dbraw/zinc/20/43/80/459204380.db2.gz CBGNJFMEXCHMFM-HNNXBMFYSA-N 1 2 348.790 3.193 10 5 EGBELO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296753 459271089 /nfs/dbraw/zinc/27/10/89/459271089.db2.gz IUBXSRQPRBLGGL-OAHLLOKOSA-N 1 2 331.372 3.409 10 5 EGBELO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296753 459271095 /nfs/dbraw/zinc/27/10/95/459271095.db2.gz IUBXSRQPRBLGGL-OAHLLOKOSA-N 1 2 331.372 3.409 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000483444596 459371961 /nfs/dbraw/zinc/37/19/61/459371961.db2.gz VYUNJMOSBKWHPN-IBGZPJMESA-N 1 2 342.395 3.183 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000483444596 459371967 /nfs/dbraw/zinc/37/19/67/459371967.db2.gz VYUNJMOSBKWHPN-IBGZPJMESA-N 1 2 342.395 3.183 10 5 EGBELO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891884 459478500 /nfs/dbraw/zinc/47/85/00/459478500.db2.gz QKCJLTBSRQBHGL-RISCZKNCSA-N 1 2 332.322 3.179 10 5 EGBELO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC(F)(F)F)O1 ZINC000595891884 459478503 /nfs/dbraw/zinc/47/85/03/459478503.db2.gz QKCJLTBSRQBHGL-RISCZKNCSA-N 1 2 332.322 3.179 10 5 EGBELO C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])CC(F)F ZINC000591961427 459498268 /nfs/dbraw/zinc/49/82/68/459498268.db2.gz HUCYPYQPMZPNCR-LBPRGKRZSA-N 1 2 343.374 3.130 10 5 EGBELO COc1cc(NCc2ccc[nH+]c2N(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596073049 459509663 /nfs/dbraw/zinc/50/96/63/459509663.db2.gz DNMALYKZHPIIDM-UHFFFAOYSA-N 1 2 336.779 3.330 10 5 EGBELO C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000593463653 459896383 /nfs/dbraw/zinc/89/63/83/459896383.db2.gz BHVYZOCXFDOIIR-ACJLOTCBSA-N 1 2 337.383 3.427 10 5 EGBELO Cn1cc[nH+]c1[C@@H](N[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000588232726 459935534 /nfs/dbraw/zinc/93/55/34/459935534.db2.gz ZMYVIDLPGGCFDB-KBPBESRZSA-N 1 2 336.342 3.195 10 5 EGBELO COC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609313357 459941678 /nfs/dbraw/zinc/94/16/78/459941678.db2.gz WEFUYYKMUZGMQP-GFCCVEGCSA-N 1 2 326.352 3.458 10 5 EGBELO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609313357 459941687 /nfs/dbraw/zinc/94/16/87/459941687.db2.gz WEFUYYKMUZGMQP-GFCCVEGCSA-N 1 2 326.352 3.458 10 5 EGBELO CC[N@H+](CCC(F)(F)F)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589498822 460095095 /nfs/dbraw/zinc/09/50/95/460095095.db2.gz HVASUKQLTYESHJ-UHFFFAOYSA-N 1 2 334.294 3.156 10 5 EGBELO CC[N@@H+](CCC(F)(F)F)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589498822 460095097 /nfs/dbraw/zinc/09/50/97/460095097.db2.gz HVASUKQLTYESHJ-UHFFFAOYSA-N 1 2 334.294 3.156 10 5 EGBELO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000599015420 460126956 /nfs/dbraw/zinc/12/69/56/460126956.db2.gz FEYLUJMMXBPZPZ-UHFFFAOYSA-N 1 2 338.367 3.058 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCCC2(CC2)CC1 ZINC000599190272 460194083 /nfs/dbraw/zinc/19/40/83/460194083.db2.gz BPOOOEAGFZCHHJ-UHFFFAOYSA-N 1 2 345.443 3.198 10 5 EGBELO COc1cc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000614923814 460246245 /nfs/dbraw/zinc/24/62/45/460246245.db2.gz FRURPJAJBGQSKY-CQSZACIVSA-N 1 2 348.321 3.147 10 5 EGBELO COc1cc(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000614923814 460246251 /nfs/dbraw/zinc/24/62/51/460246251.db2.gz FRURPJAJBGQSKY-CQSZACIVSA-N 1 2 348.321 3.147 10 5 EGBELO COC(=O)C1C[C@@H](C)[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000599696556 460314794 /nfs/dbraw/zinc/31/47/94/460314794.db2.gz PAINCTYEVXMNAK-NXEZZACHSA-N 1 2 342.342 3.035 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611280310 460327820 /nfs/dbraw/zinc/32/78/20/460327820.db2.gz AQLNSGDZNLJCFZ-OAHLLOKOSA-N 1 2 342.399 3.194 10 5 EGBELO CCc1cc(NCC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604303468 460402435 /nfs/dbraw/zinc/40/24/35/460402435.db2.gz IGDHYXDEASFKCV-MRXNPFEDSA-N 1 2 342.399 3.017 10 5 EGBELO COc1c(C)c[nH+]c(COC(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000736774045 576025419 /nfs/dbraw/zinc/02/54/19/576025419.db2.gz AAHVZBRWPLMMQW-UHFFFAOYSA-N 1 2 336.369 3.342 10 5 EGBELO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@H+](C)CC2CC2)c1=S ZINC000153569722 1294020118 /nfs/dbraw/zinc/02/01/18/1294020118.db2.gz LOVAPAJSHOCIPS-UHFFFAOYSA-N 1 2 347.444 3.308 10 5 EGBELO CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(C[N@@H+](C)CC2CC2)c1=S ZINC000153569722 1294020126 /nfs/dbraw/zinc/02/01/26/1294020126.db2.gz LOVAPAJSHOCIPS-UHFFFAOYSA-N 1 2 347.444 3.308 10 5 EGBELO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025319 1296668071 /nfs/dbraw/zinc/66/80/71/1296668071.db2.gz KPOAMPBTEYFASU-CYBMUJFWSA-N 1 2 345.374 3.043 10 5 EGBELO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(=O)NCc1ccccc1 ZINC000872027703 1296675237 /nfs/dbraw/zinc/67/52/37/1296675237.db2.gz LKUZWNWRCHKDDX-STQMWFEESA-N 1 2 345.374 3.089 10 5 EGBELO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000872085022 1296725769 /nfs/dbraw/zinc/72/57/69/1296725769.db2.gz MLSVJPPTUBFQQX-NRUUGDAUSA-N 1 2 333.417 3.265 10 5 EGBELO O=C(Nc1cccc(Cl)n1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001126694800 1373000885 /nfs/dbraw/zinc/00/08/85/1373000885.db2.gz SQTPNFYYIOTVON-UHFFFAOYSA-N 1 2 343.730 3.081 10 5 EGBELO O=C(Nc1ccccc1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001350328668 1391448154 /nfs/dbraw/zinc/44/81/54/1391448154.db2.gz XNROHNQCDUJOLP-UHFFFAOYSA-N 1 2 326.287 3.172 10 5 EGBELO CC(C)CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001354597797 1392155267 /nfs/dbraw/zinc/15/52/67/1392155267.db2.gz IDKAAZFKYJJVCG-ZDUSSCGKSA-N 1 2 330.388 3.335 10 5 EGBELO Cc1ccc[nH+]c1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000295696520 201350502 /nfs/dbraw/zinc/35/05/02/201350502.db2.gz IULPCWWEJBDCHD-UHFFFAOYSA-N 1 2 326.278 3.367 10 5 EGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157921129 206163834 /nfs/dbraw/zinc/16/38/34/206163834.db2.gz IDJLWECYMTTWMP-OAHLLOKOSA-N 1 2 334.397 3.109 10 5 EGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157921129 206163838 /nfs/dbraw/zinc/16/38/38/206163838.db2.gz IDJLWECYMTTWMP-OAHLLOKOSA-N 1 2 334.397 3.109 10 5 EGBELO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175129997 207095285 /nfs/dbraw/zinc/09/52/85/207095285.db2.gz DAOZJTUFQTWCJI-KRWDZBQOSA-N 1 2 342.399 3.099 10 5 EGBELO Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000175129997 207095289 /nfs/dbraw/zinc/09/52/89/207095289.db2.gz DAOZJTUFQTWCJI-KRWDZBQOSA-N 1 2 342.399 3.099 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000194816478 285115098 /nfs/dbraw/zinc/11/50/98/285115098.db2.gz HWWHMZGNDQBPMH-CQSZACIVSA-N 1 2 347.302 3.256 10 5 EGBELO O=[N+]([O-])c1cc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cs1 ZINC000341260227 141146032 /nfs/dbraw/zinc/14/60/32/141146032.db2.gz DKWGQKXZDAXEGA-UHFFFAOYSA-N 1 2 328.397 3.191 10 5 EGBELO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000353460877 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CTWUQRHYUBMHMS-OAHLLOKOSA-N 1 2 330.388 3.151 10 5 EGBELO Cc1nc([C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])[nH]c1C ZINC001197710044 1368877115 /nfs/dbraw/zinc/87/71/15/1368877115.db2.gz CTWUQRHYUBMHMS-OAHLLOKOSA-N 1 2 330.388 3.151 10 5 EGBELO O=C(Nc1ccc([N+](=O)[O-])c2ccncc12)c1cccc2[nH+]ccn21 ZINC001131463161 1373703455 /nfs/dbraw/zinc/70/34/55/1373703455.db2.gz YAJYSQHMIYAPRI-UHFFFAOYSA-N 1 2 333.307 3.043 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001135679094 1377181399 /nfs/dbraw/zinc/18/13/99/1377181399.db2.gz KVLKBXAIXPMWSN-UHFFFAOYSA-N 1 2 336.351 3.270 10 5 EGBELO Cc1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1[N+](=O)[O-] ZINC001135880718 1377247855 /nfs/dbraw/zinc/24/78/55/1377247855.db2.gz MJAGEEJKRVBNDZ-UHFFFAOYSA-N 1 2 336.351 3.270 10 5 EGBELO CC[N@H+](CCNC(=O)CC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001317472827 1385167853 /nfs/dbraw/zinc/16/78/53/1385167853.db2.gz FDAYGRBCMYHSHC-UHFFFAOYSA-N 1 2 327.450 3.031 10 5 EGBELO CC[N@@H+](CCNC(=O)CC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001317472827 1385167856 /nfs/dbraw/zinc/16/78/56/1385167856.db2.gz FDAYGRBCMYHSHC-UHFFFAOYSA-N 1 2 327.450 3.031 10 5 EGBELO CC(C)=CC(=O)N(C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001713776568 1418592418 /nfs/dbraw/zinc/59/24/18/1418592418.db2.gz JROPJDOYELRKEX-UHFFFAOYSA-N 1 2 337.445 3.045 10 5 EGBELO CC[N@H+](CCNC(=O)CC1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001731798006 1427956255 /nfs/dbraw/zinc/95/62/55/1427956255.db2.gz KULBKIBFDYNPMV-UHFFFAOYSA-N 1 2 339.461 3.175 10 5 EGBELO CC[N@@H+](CCNC(=O)CC1CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001731798006 1427956257 /nfs/dbraw/zinc/95/62/57/1427956257.db2.gz KULBKIBFDYNPMV-UHFFFAOYSA-N 1 2 339.461 3.175 10 5 EGBELO C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266902901 296142716 /nfs/dbraw/zinc/14/27/16/296142716.db2.gz UMJHEDIWIGPDMB-CXAGYDPISA-N 1 2 327.384 3.075 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCC3(CCCCC3)O1)CC2 ZINC000408259181 169167974 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EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116288648 152055592 /nfs/dbraw/zinc/05/55/92/152055592.db2.gz NCJKQBPBKOXLDC-OAHLLOKOSA-N 1 2 329.356 3.272 10 5 EGBELO COC(=O)c1cc(NCCc2cccc(C)[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000359840138 167245501 /nfs/dbraw/zinc/24/55/01/167245501.db2.gz CMASIGLAOQCMHW-UHFFFAOYSA-N 1 2 329.356 3.048 10 5 EGBELO COc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000271057991 266598031 /nfs/dbraw/zinc/59/80/31/266598031.db2.gz BGGNGKDOMQFSEV-IAQYHMDHSA-N 1 2 334.351 3.027 10 5 EGBELO CCOc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000301627472 308708163 /nfs/dbraw/zinc/70/81/63/308708163.db2.gz HIWZPALKFGNZOY-CJNGLKHVSA-N 1 2 330.388 3.278 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[C@@H]3CCCC[C@@H]3O)c2c1 ZINC000413211446 309021715 /nfs/dbraw/zinc/02/17/15/309021715.db2.gz XCFCLVYHCANHGL-YOEHRIQHSA-N 1 2 329.400 3.308 10 5 EGBELO Cc1cc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000413387621 309030051 /nfs/dbraw/zinc/03/00/51/309030051.db2.gz XJMSSSBIAYOMPV-UHFFFAOYSA-N 1 2 328.294 3.310 10 5 EGBELO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418142753 309237413 /nfs/dbraw/zinc/23/74/13/309237413.db2.gz NPZSUHKLNQJSCF-HNNXBMFYSA-N 1 2 343.383 3.047 10 5 EGBELO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418142753 309237414 /nfs/dbraw/zinc/23/74/14/309237414.db2.gz NPZSUHKLNQJSCF-HNNXBMFYSA-N 1 2 343.383 3.047 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432176244 309654237 /nfs/dbraw/zinc/65/42/37/309654237.db2.gz LDXZCMVWOYMSBC-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000449457808 310063579 /nfs/dbraw/zinc/06/35/79/310063579.db2.gz VKDYHUPYGBQKMN-MRXNPFEDSA-N 1 2 336.775 3.119 10 5 EGBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CO)c1ccc(Cl)cc1 ZINC000449457808 310063580 /nfs/dbraw/zinc/06/35/80/310063580.db2.gz VKDYHUPYGBQKMN-MRXNPFEDSA-N 1 2 336.775 3.119 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000449716383 310082260 /nfs/dbraw/zinc/08/22/60/310082260.db2.gz LDIDGFQGUNYFRK-UHFFFAOYSA-N 1 2 342.395 3.182 10 5 EGBELO C[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450005510 310098447 /nfs/dbraw/zinc/09/84/47/310098447.db2.gz WFOWJYVSOBUTFQ-OLZOCXBDSA-N 1 2 328.372 3.041 10 5 EGBELO COc1cc(C[N@@H+]2CCOCC23CCCCC3)c([N+](=O)[O-])cc1F ZINC000451810779 310198475 /nfs/dbraw/zinc/19/84/75/310198475.db2.gz CXHGIPIBCWAXBR-UHFFFAOYSA-N 1 2 338.379 3.278 10 5 EGBELO COc1cc(C[N@H+]2CCOCC23CCCCC3)c([N+](=O)[O-])cc1F ZINC000451810779 310198476 /nfs/dbraw/zinc/19/84/76/310198476.db2.gz CXHGIPIBCWAXBR-UHFFFAOYSA-N 1 2 338.379 3.278 10 5 EGBELO NC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451855458 310200464 /nfs/dbraw/zinc/20/04/64/310200464.db2.gz OTJLCTIRCYNOFR-INIZCTEOSA-N 1 2 341.367 3.014 10 5 EGBELO NC(=O)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451855458 310200465 /nfs/dbraw/zinc/20/04/65/310200465.db2.gz OTJLCTIRCYNOFR-INIZCTEOSA-N 1 2 341.367 3.014 10 5 EGBELO CC1(CO)C[NH+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000459619337 310564638 /nfs/dbraw/zinc/56/46/38/310564638.db2.gz HYEXPGDYJQWETI-UHFFFAOYSA-N 1 2 346.358 3.340 10 5 EGBELO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000552035972 315191571 /nfs/dbraw/zinc/19/15/71/315191571.db2.gz PYCPUTUKLOWSFX-SHTZXODSSA-N 1 2 340.383 3.143 10 5 EGBELO Cc1csc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000184222014 455363886 /nfs/dbraw/zinc/36/38/86/455363886.db2.gz AGVMPMMBHROYFF-NEPJUHHUSA-N 1 2 348.428 3.346 10 5 EGBELO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000028174927 453822449 /nfs/dbraw/zinc/82/24/49/453822449.db2.gz WXYOEDUSGKLYRC-UHFFFAOYSA-N 1 2 341.367 3.149 10 5 EGBELO CCn1cc([C@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)cn1 ZINC000190785699 455382585 /nfs/dbraw/zinc/38/25/85/455382585.db2.gz CUDLIWBPJYOIFG-KBXCAEBGSA-N 1 2 344.415 3.254 10 5 EGBELO CCn1cc([C@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)cn1 ZINC000190785699 455382589 /nfs/dbraw/zinc/38/25/89/455382589.db2.gz CUDLIWBPJYOIFG-KBXCAEBGSA-N 1 2 344.415 3.254 10 5 EGBELO Cc1nnc([C@@H](C)Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000084114695 453970135 /nfs/dbraw/zinc/97/01/35/453970135.db2.gz AQEABOWTNPZRAX-SNVBAGLBSA-N 1 2 340.343 3.225 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080914566 454645464 /nfs/dbraw/zinc/64/54/64/454645464.db2.gz SHPZMKWBVXATCX-UHFFFAOYSA-N 1 2 348.790 3.022 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080914566 454645468 /nfs/dbraw/zinc/64/54/68/454645468.db2.gz SHPZMKWBVXATCX-UHFFFAOYSA-N 1 2 348.790 3.022 10 5 EGBELO Cc1c(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000155218165 454975455 /nfs/dbraw/zinc/97/54/55/454975455.db2.gz OBXOFFLFFIOMDN-UHFFFAOYSA-N 1 2 342.321 3.288 10 5 EGBELO Cc1c(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000155218165 454975458 /nfs/dbraw/zinc/97/54/58/454975458.db2.gz OBXOFFLFFIOMDN-UHFFFAOYSA-N 1 2 342.321 3.288 10 5 EGBELO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156588423 455136160 /nfs/dbraw/zinc/13/61/60/455136160.db2.gz CAEDVLBILNWNPZ-GFCCVEGCSA-N 1 2 338.379 3.288 10 5 EGBELO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000156588423 455136165 /nfs/dbraw/zinc/13/61/65/455136165.db2.gz CAEDVLBILNWNPZ-GFCCVEGCSA-N 1 2 338.379 3.288 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cs1 ZINC000158528023 455310858 /nfs/dbraw/zinc/31/08/58/455310858.db2.gz QFNKQNDEULWXOQ-KRWDZBQOSA-N 1 2 330.409 3.330 10 5 EGBELO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cs1 ZINC000158528023 455310864 /nfs/dbraw/zinc/31/08/64/455310864.db2.gz QFNKQNDEULWXOQ-KRWDZBQOSA-N 1 2 330.409 3.330 10 5 EGBELO CO[C@@H](C)c1noc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345551 455920524 /nfs/dbraw/zinc/92/05/24/455920524.db2.gz PLRRJUSYWGNOAI-RYUDHWBXSA-N 1 2 334.376 3.187 10 5 EGBELO CO[C@@H](C)c1noc(C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345551 455920530 /nfs/dbraw/zinc/92/05/30/455920530.db2.gz PLRRJUSYWGNOAI-RYUDHWBXSA-N 1 2 334.376 3.187 10 5 EGBELO CC(C)c1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000195107207 455922454 /nfs/dbraw/zinc/92/24/54/455922454.db2.gz PLMYIIHUYQLVIB-UHFFFAOYSA-N 1 2 331.420 3.257 10 5 EGBELO CC(C)c1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000195107207 455922457 /nfs/dbraw/zinc/92/24/57/455922457.db2.gz PLMYIIHUYQLVIB-UHFFFAOYSA-N 1 2 331.420 3.257 10 5 EGBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000263772944 456219167 /nfs/dbraw/zinc/21/91/67/456219167.db2.gz SZVWBSAAFVKHDO-HNNXBMFYSA-N 1 2 339.355 3.167 10 5 EGBELO CC(C)(C)c1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000601149822 460731876 /nfs/dbraw/zinc/73/18/76/460731876.db2.gz PZQIPKCTZDTRMC-KRWDZBQOSA-N 1 2 349.456 3.346 10 5 EGBELO COc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1F ZINC000298329647 456427029 /nfs/dbraw/zinc/42/70/29/456427029.db2.gz RKVHOONAFHRSQM-KGLIPLIRSA-N 1 2 330.306 3.220 10 5 EGBELO COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c([N+](=O)[O-])cc1F ZINC000298329647 456427032 /nfs/dbraw/zinc/42/70/32/456427032.db2.gz RKVHOONAFHRSQM-KGLIPLIRSA-N 1 2 330.306 3.220 10 5 EGBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000339088697 456935490 /nfs/dbraw/zinc/93/54/90/456935490.db2.gz ZXCNSCVKAJDHQL-PZROIBLQSA-N 1 2 328.368 3.343 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000359932277 457155100 /nfs/dbraw/zinc/15/51/00/457155100.db2.gz NVDCXDGZXSTFAJ-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347202325 457286397 /nfs/dbraw/zinc/28/63/97/457286397.db2.gz ZDLZEAMNLFJYJL-LBPRGKRZSA-N 1 2 345.403 3.299 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425365802 457519840 /nfs/dbraw/zinc/51/98/40/457519840.db2.gz MVUHQPKYTJDJMY-IAGOWNOFSA-N 1 2 348.786 3.262 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425365802 457519851 /nfs/dbraw/zinc/51/98/51/457519851.db2.gz MVUHQPKYTJDJMY-IAGOWNOFSA-N 1 2 348.786 3.262 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361059129 457553651 /nfs/dbraw/zinc/55/36/51/457553651.db2.gz DWFOFYGHQGHNNZ-STQMWFEESA-N 1 2 325.368 3.499 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361059129 457553657 /nfs/dbraw/zinc/55/36/57/457553657.db2.gz DWFOFYGHQGHNNZ-STQMWFEESA-N 1 2 325.368 3.499 10 5 EGBELO C[C@H]1c2ccccc2C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361060812 457555378 /nfs/dbraw/zinc/55/53/78/457555378.db2.gz XYCSMSYPCVSLCL-ZDUSSCGKSA-N 1 2 337.379 3.061 10 5 EGBELO C[C@H]1c2ccccc2C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361060812 457555380 /nfs/dbraw/zinc/55/53/80/457555380.db2.gz XYCSMSYPCVSLCL-ZDUSSCGKSA-N 1 2 337.379 3.061 10 5 EGBELO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)cc1OC(F)F ZINC000364907967 457717009 /nfs/dbraw/zinc/71/70/09/457717009.db2.gz ZCNLIHRBUZSSGO-UHFFFAOYSA-N 1 2 338.314 3.303 10 5 EGBELO O=[N+]([O-])c1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)cc1OC(F)F ZINC000364907967 457717011 /nfs/dbraw/zinc/71/70/11/457717011.db2.gz ZCNLIHRBUZSSGO-UHFFFAOYSA-N 1 2 338.314 3.303 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444711607 457950168 /nfs/dbraw/zinc/95/01/68/457950168.db2.gz XMNWDUGRAPJABZ-LLVKDONJSA-N 1 2 345.321 3.116 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444711607 457950175 /nfs/dbraw/zinc/95/01/75/457950175.db2.gz XMNWDUGRAPJABZ-LLVKDONJSA-N 1 2 345.321 3.116 10 5 EGBELO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434304202 457974895 /nfs/dbraw/zinc/97/48/95/457974895.db2.gz DQFIPQGPMPADMS-UHFFFAOYSA-N 1 2 340.339 3.084 10 5 EGBELO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434304202 457974900 /nfs/dbraw/zinc/97/49/00/457974900.db2.gz DQFIPQGPMPADMS-UHFFFAOYSA-N 1 2 340.339 3.084 10 5 EGBELO CC(C)([NH2+]Cc1cn2cccc(F)c2n1)c1ccccc1[N+](=O)[O-] ZINC000589939744 459052967 /nfs/dbraw/zinc/05/29/67/459052967.db2.gz BZUHPERGHSIJSR-UHFFFAOYSA-N 1 2 328.347 3.407 10 5 EGBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000590548815 459147066 /nfs/dbraw/zinc/14/70/66/459147066.db2.gz FCLAVRIFYMTVCY-UHFFFAOYSA-N 1 2 337.339 3.045 10 5 EGBELO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncnn21 ZINC000594956090 459192760 /nfs/dbraw/zinc/19/27/60/459192760.db2.gz FADNYHPIDBNFLM-XHDPSFHLSA-N 1 2 339.355 3.242 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccco2)CC1 ZINC000595615230 459369075 /nfs/dbraw/zinc/36/90/75/459369075.db2.gz KKLLDTLHCYHPIA-UHFFFAOYSA-N 1 2 343.383 3.314 10 5 EGBELO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891882 459478528 /nfs/dbraw/zinc/47/85/28/459478528.db2.gz QKCJLTBSRQBHGL-BXUZGUMPSA-N 1 2 332.322 3.179 10 5 EGBELO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891882 459478532 /nfs/dbraw/zinc/47/85/32/459478532.db2.gz QKCJLTBSRQBHGL-BXUZGUMPSA-N 1 2 332.322 3.179 10 5 EGBELO O=[N+]([O-])c1cnc(N[C@H]2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)nc1 ZINC000591972520 459500958 /nfs/dbraw/zinc/50/09/58/459500958.db2.gz RECNIGGEJDQMNL-NEPJUHHUSA-N 1 2 338.371 3.399 10 5 EGBELO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2(CCC2)CO1 ZINC000593091026 459770590 /nfs/dbraw/zinc/77/05/90/459770590.db2.gz DFZHKNAJEAFESV-ZDUSSCGKSA-N 1 2 343.383 3.393 10 5 EGBELO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C2(CCC2)CO1 ZINC000593091026 459770596 /nfs/dbraw/zinc/77/05/96/459770596.db2.gz DFZHKNAJEAFESV-ZDUSSCGKSA-N 1 2 343.383 3.393 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000589496267 460094311 /nfs/dbraw/zinc/09/43/11/460094311.db2.gz CQBVCGLQFUQNTE-QGZVFWFLSA-N 1 2 341.367 3.114 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000589496267 460094315 /nfs/dbraw/zinc/09/43/15/460094315.db2.gz CQBVCGLQFUQNTE-QGZVFWFLSA-N 1 2 341.367 3.114 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000610367116 460137026 /nfs/dbraw/zinc/13/70/26/460137026.db2.gz GDHNGDNZKVRJHQ-CQSZACIVSA-N 1 2 333.432 3.236 10 5 EGBELO O=[N+]([O-])c1c(N[C@@H]2CCOC3(CCOCC3)C2)ccc2c[nH+]ccc21 ZINC000599058848 460145865 /nfs/dbraw/zinc/14/58/65/460145865.db2.gz GYEZTCZENABPJO-CQSZACIVSA-N 1 2 343.383 3.283 10 5 EGBELO CCO[C@@H]1C[C@@](O)(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1(C)C ZINC000599082025 460155002 /nfs/dbraw/zinc/15/50/02/460155002.db2.gz WXIBWMPSHLVXLO-CRAIPNDOSA-N 1 2 345.399 3.121 10 5 EGBELO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000611385578 460349819 /nfs/dbraw/zinc/34/98/19/460349819.db2.gz JPAXAEPDGNIBCU-HNNXBMFYSA-N 1 2 327.340 3.213 10 5 EGBELO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000611385579 460350479 /nfs/dbraw/zinc/35/04/79/460350479.db2.gz JPAXAEPDGNIBCU-OAHLLOKOSA-N 1 2 327.340 3.213 10 5 EGBELO C[C@H](c1ccc(F)nc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000929268178 1328552875 /nfs/dbraw/zinc/55/28/75/1328552875.db2.gz BVOVDQYJDXTMCD-CYBMUJFWSA-N 1 2 330.363 3.012 10 5 EGBELO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981687 1328647313 /nfs/dbraw/zinc/64/73/13/1328647313.db2.gz INGFCDOJUAIBBI-CYBMUJFWSA-N 1 2 346.412 3.168 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(Br)c1 ZINC001192391596 1367772213 /nfs/dbraw/zinc/77/22/13/1367772213.db2.gz SLFVXIDBYFRRSF-MNOVXSKESA-N 1 2 347.159 3.444 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(Br)c1 ZINC001192391596 1367772224 /nfs/dbraw/zinc/77/22/24/1367772224.db2.gz SLFVXIDBYFRRSF-MNOVXSKESA-N 1 2 347.159 3.444 10 5 EGBELO O=[N+]([O-])c1c(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)nc2ccccn21 ZINC001187430966 1388107098 /nfs/dbraw/zinc/10/70/98/1388107098.db2.gz UWCOVGOVKPSCNU-HNNXBMFYSA-N 1 2 348.366 3.292 10 5 EGBELO CC(C)c1[nH]cc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])[nH+]1 ZINC001187724109 1388151239 /nfs/dbraw/zinc/15/12/39/1388151239.db2.gz DJWPZHLAPJINPB-UHFFFAOYSA-N 1 2 329.335 3.163 10 5 EGBELO CC(C)c1[nH]c(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC001187724109 1388151243 /nfs/dbraw/zinc/15/12/43/1388151243.db2.gz DJWPZHLAPJINPB-UHFFFAOYSA-N 1 2 329.335 3.163 10 5 EGBELO O=C(Oc1cccc(F)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124315725 1372690389 /nfs/dbraw/zinc/69/03/89/1372690389.db2.gz RZXFTYKAXUGPRI-UHFFFAOYSA-N 1 2 327.271 3.139 10 5 EGBELO C[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H](C)O1 ZINC001327680530 1388577632 /nfs/dbraw/zinc/57/76/32/1388577632.db2.gz XWNZPVCUHOCIEF-MNOVXSKESA-N 1 2 337.401 3.329 10 5 EGBELO C[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H](C)O1 ZINC001327680530 1388577635 /nfs/dbraw/zinc/57/76/35/1388577635.db2.gz XWNZPVCUHOCIEF-MNOVXSKESA-N 1 2 337.401 3.329 10 5 EGBELO CC(C)c1[nH]cc(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[nH+]1 ZINC001157123856 1380781318 /nfs/dbraw/zinc/78/13/18/1380781318.db2.gz DOFUDLUTAZICHA-UHFFFAOYSA-N 1 2 330.388 3.035 10 5 EGBELO CC(C)c1[nH]c(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC001157123856 1380781321 /nfs/dbraw/zinc/78/13/21/1380781321.db2.gz DOFUDLUTAZICHA-UHFFFAOYSA-N 1 2 330.388 3.035 10 5 EGBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001163061920 1382959169 /nfs/dbraw/zinc/95/91/69/1382959169.db2.gz CLAYESYXSCXROG-HNNXBMFYSA-N 1 2 331.376 3.059 10 5 EGBELO COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001348137657 1391177941 /nfs/dbraw/zinc/17/79/41/1391177941.db2.gz FMAVUXHTDPMJNL-UHFFFAOYSA-N 1 2 338.323 3.041 10 5 EGBELO COc1ccc(C)cc1C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000026611900 202146265 /nfs/dbraw/zinc/14/62/65/202146265.db2.gz BVFARXRZBFVALX-UHFFFAOYSA-N 1 2 340.383 3.351 10 5 EGBELO COc1ccc(C)cc1C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000026611900 202146269 /nfs/dbraw/zinc/14/62/69/202146269.db2.gz BVFARXRZBFVALX-UHFFFAOYSA-N 1 2 340.383 3.351 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000368685654 157264914 /nfs/dbraw/zinc/26/49/14/157264914.db2.gz ALAYXTLAAIFTSR-UHFFFAOYSA-N 1 2 343.387 3.137 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c2c(c1)COCO2 ZINC000116295841 275189382 /nfs/dbraw/zinc/18/93/82/275189382.db2.gz OFACSVGGXBDIEN-OAHLLOKOSA-N 1 2 330.340 3.391 10 5 EGBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2ccco2)c2c(c1)COCO2 ZINC000116295841 275189383 /nfs/dbraw/zinc/18/93/83/275189383.db2.gz OFACSVGGXBDIEN-OAHLLOKOSA-N 1 2 330.340 3.391 10 5 EGBELO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000287712825 276150011 /nfs/dbraw/zinc/15/00/11/276150011.db2.gz DYPZWWRVIYJKLQ-PXAZEXFGSA-N 1 2 328.372 3.081 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348237221 278157308 /nfs/dbraw/zinc/15/73/08/278157308.db2.gz YMRFZKNHEGSDFS-GMTAPVOTSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348237221 278157310 /nfs/dbraw/zinc/15/73/10/278157310.db2.gz YMRFZKNHEGSDFS-GMTAPVOTSA-N 1 2 345.321 3.195 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248650252 308008544 /nfs/dbraw/zinc/00/85/44/308008544.db2.gz UQFYNGXABRCPOA-QAPCUYQASA-N 1 2 348.349 3.489 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248650252 308008545 /nfs/dbraw/zinc/00/85/45/308008545.db2.gz UQFYNGXABRCPOA-QAPCUYQASA-N 1 2 348.349 3.489 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000359947966 308893826 /nfs/dbraw/zinc/89/38/26/308893826.db2.gz VXAUNVUGLHDOIA-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO Cc1nn(C)c(C)c1CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413051848 309013552 /nfs/dbraw/zinc/01/35/52/309013552.db2.gz LLPXFAYPASBTEP-UHFFFAOYSA-N 1 2 325.372 3.148 10 5 EGBELO CC(C)(C)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452410164 310226485 /nfs/dbraw/zinc/22/64/85/310226485.db2.gz SCVKINHYKKRPMF-UHFFFAOYSA-N 1 2 330.388 3.335 10 5 EGBELO CC[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000455487810 310363348 /nfs/dbraw/zinc/36/33/48/310363348.db2.gz QMNYOJVTBMOTPH-UGFHNGPFSA-N 1 2 343.387 3.248 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488059652 311049594 /nfs/dbraw/zinc/04/95/94/311049594.db2.gz SZEOVKUYOOEKRG-UHFFFAOYSA-N 1 2 325.372 3.030 10 5 EGBELO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnn(Cc3ccccc3)c1)C2 ZINC000538726256 314270142 /nfs/dbraw/zinc/27/01/42/314270142.db2.gz GQRZZDUTEHZAPW-UHFFFAOYSA-N 1 2 348.406 3.398 10 5 EGBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnn(Cc3ccccc3)c1)C2 ZINC000538726256 314270146 /nfs/dbraw/zinc/27/01/46/314270146.db2.gz GQRZZDUTEHZAPW-UHFFFAOYSA-N 1 2 348.406 3.398 10 5 EGBELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347235 453797688 /nfs/dbraw/zinc/79/76/88/453797688.db2.gz GFAAIXMAZUACQG-LSDHHAIUSA-N 1 2 341.411 3.293 10 5 EGBELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347235 453797690 /nfs/dbraw/zinc/79/76/90/453797690.db2.gz GFAAIXMAZUACQG-LSDHHAIUSA-N 1 2 341.411 3.293 10 5 EGBELO O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067512661 453937137 /nfs/dbraw/zinc/93/71/37/453937137.db2.gz ZTCABXDWRKQURB-JKSUJKDBSA-N 1 2 348.362 3.066 10 5 EGBELO Cc1ccc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000040043117 453946257 /nfs/dbraw/zinc/94/62/57/453946257.db2.gz RRECQZWTOHJDKQ-UHFFFAOYSA-N 1 2 344.758 3.134 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000092096380 454521177 /nfs/dbraw/zinc/52/11/77/454521177.db2.gz WSIOUDYIBFYOSB-MNEFBYGVSA-N 1 2 348.443 3.487 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000092096380 454521179 /nfs/dbraw/zinc/52/11/79/454521179.db2.gz WSIOUDYIBFYOSB-MNEFBYGVSA-N 1 2 348.443 3.487 10 5 EGBELO O=C1NCC[C@@H]1Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000179003100 454998651 /nfs/dbraw/zinc/99/86/51/454998651.db2.gz OSWGIHRFCROZLX-HNNXBMFYSA-N 1 2 334.404 3.016 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cs1 ZINC000158527901 455311273 /nfs/dbraw/zinc/31/12/73/455311273.db2.gz QFNKQNDEULWXOQ-QGZVFWFLSA-N 1 2 330.409 3.330 10 5 EGBELO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cs1 ZINC000158527901 455311279 /nfs/dbraw/zinc/31/12/79/455311279.db2.gz QFNKQNDEULWXOQ-QGZVFWFLSA-N 1 2 330.409 3.330 10 5 EGBELO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 ZINC000182593781 455549723 /nfs/dbraw/zinc/54/97/23/455549723.db2.gz OELUFJLNVADRRG-NSHDSACASA-N 1 2 328.328 3.397 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000186024098 455677667 /nfs/dbraw/zinc/67/76/67/455677667.db2.gz OXPDUFOVLGMFCZ-SNVBAGLBSA-N 1 2 330.306 3.499 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000301631643 456169443 /nfs/dbraw/zinc/16/94/43/456169443.db2.gz JEWPYNCQSSEKAA-NHYWBVRUSA-N 1 2 334.351 3.027 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281275356 456186066 /nfs/dbraw/zinc/18/60/66/456186066.db2.gz FZGLEBMHMKODOR-MRXNPFEDSA-N 1 2 330.388 3.064 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281275356 456186074 /nfs/dbraw/zinc/18/60/74/456186074.db2.gz FZGLEBMHMKODOR-MRXNPFEDSA-N 1 2 330.388 3.064 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000302109158 456289741 /nfs/dbraw/zinc/28/97/41/456289741.db2.gz SXWMSPIKUJNOMX-UHFFFAOYSA-N 1 2 342.355 3.120 10 5 EGBELO Cc1cc(N(C)CCc2ccccc2[N+](=O)[O-])nc(-c2ccncc2)[nH+]1 ZINC000343222938 456462988 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ZINC000093611917 218236704 /nfs/dbraw/zinc/23/67/04/218236704.db2.gz LZQFCCUCBKWRHU-AWEZNQCLSA-N 1 2 332.322 3.217 10 5 EGBELO C[N@H+](Cc1ccc(Cl)nc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177624012 207366073 /nfs/dbraw/zinc/36/60/73/207366073.db2.gz FVTXYTZHZYOEAN-UHFFFAOYSA-N 1 2 349.774 3.142 10 5 EGBELO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000177624012 207366075 /nfs/dbraw/zinc/36/60/75/207366075.db2.gz FVTXYTZHZYOEAN-UHFFFAOYSA-N 1 2 349.774 3.142 10 5 EGBELO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(-c2ccccc2)n1 ZINC000338363734 141108162 /nfs/dbraw/zinc/10/81/62/141108162.db2.gz WQSLKHNTLQHTGF-UHFFFAOYSA-N 1 2 338.367 3.319 10 5 EGBELO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(-c2ccccc2)n1 ZINC000338363734 141108163 /nfs/dbraw/zinc/10/81/63/141108163.db2.gz WQSLKHNTLQHTGF-UHFFFAOYSA-N 1 2 338.367 3.319 10 5 EGBELO O=[N+]([O-])c1c[nH]c(-c2csc(Cc3cn4ccccc4[nH+]3)n2)c1 ZINC000344467483 141158819 /nfs/dbraw/zinc/15/88/19/141158819.db2.gz DJGCTZQEPRRMNY-UHFFFAOYSA-N 1 2 325.353 3.285 10 5 EGBELO O=C(C[N@@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186179821 144127242 /nfs/dbraw/zinc/12/72/42/144127242.db2.gz OTIXKKFDFWRPAT-UHFFFAOYSA-N 1 2 337.379 3.081 10 5 EGBELO O=C(C[N@H+]1Cc2ccccc2C2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186179821 144127245 /nfs/dbraw/zinc/12/72/45/144127245.db2.gz OTIXKKFDFWRPAT-UHFFFAOYSA-N 1 2 337.379 3.081 10 5 EGBELO Cc1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1[N+](=O)[O-] ZINC000345945854 164301093 /nfs/dbraw/zinc/30/10/93/164301093.db2.gz FAIYYGOPHIYGNQ-UHFFFAOYSA-N 1 2 348.322 3.201 10 5 EGBELO COc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000271057992 266597544 /nfs/dbraw/zinc/59/75/44/266597544.db2.gz BGGNGKDOMQFSEV-NHYWBVRUSA-N 1 2 334.351 3.027 10 5 EGBELO CO[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1C ZINC000302580766 308740201 /nfs/dbraw/zinc/74/02/01/308740201.db2.gz SZUGJSXENQYTLY-MLGOLLRUSA-N 1 2 342.399 3.221 10 5 EGBELO C[C@@H]1CC(C)(C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412771095 309001923 /nfs/dbraw/zinc/00/19/23/309001923.db2.gz WIMKCTSKKQBCHB-GFCCVEGCSA-N 1 2 328.372 3.041 10 5 EGBELO COc1cc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000537605590 314195037 /nfs/dbraw/zinc/19/50/37/314195037.db2.gz VVMYSRTVVAEDGW-LBPRGKRZSA-N 1 2 348.321 3.147 10 5 EGBELO COc1cc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000537605590 314195040 /nfs/dbraw/zinc/19/50/40/314195040.db2.gz VVMYSRTVVAEDGW-LBPRGKRZSA-N 1 2 348.321 3.147 10 5 EGBELO [NH3+][C@H](CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)CC1CCCCC1 ZINC000577104253 324743439 /nfs/dbraw/zinc/74/34/39/324743439.db2.gz RYSTULDLLSGGCR-CYBMUJFWSA-N 1 2 335.404 3.317 10 5 EGBELO C[C@@H]1C[N@@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000012561405 453376302 /nfs/dbraw/zinc/37/63/02/453376302.db2.gz PYKLZXYTJNPTMF-PHIMTYICSA-N 1 2 347.337 3.135 10 5 EGBELO C[C@@H]1C[N@H+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000012561405 453376310 /nfs/dbraw/zinc/37/63/10/453376310.db2.gz PYKLZXYTJNPTMF-PHIMTYICSA-N 1 2 347.337 3.135 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000016420195 453605506 /nfs/dbraw/zinc/60/55/06/453605506.db2.gz BAKXFYPWHAVIPT-ZDUSSCGKSA-N 1 2 347.440 3.308 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000016420195 453605507 /nfs/dbraw/zinc/60/55/07/453605507.db2.gz BAKXFYPWHAVIPT-ZDUSSCGKSA-N 1 2 347.440 3.308 10 5 EGBELO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)c[nH+]2)C[C@H](C)O1 ZINC000052218633 454663636 /nfs/dbraw/zinc/66/36/36/454663636.db2.gz GOEQZVWEMSMONF-KBPBESRZSA-N 1 2 342.399 3.216 10 5 EGBELO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1O ZINC000093453569 454717060 /nfs/dbraw/zinc/71/70/60/454717060.db2.gz XFZFZYZBMGNCTE-HNNXBMFYSA-N 1 2 343.383 3.350 10 5 EGBELO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1O ZINC000093453569 454717063 /nfs/dbraw/zinc/71/70/63/454717063.db2.gz XFZFZYZBMGNCTE-HNNXBMFYSA-N 1 2 343.383 3.350 10 5 EGBELO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153033646 454754033 /nfs/dbraw/zinc/75/40/33/454754033.db2.gz KQYMXZZOHVORTB-GFCCVEGCSA-N 1 2 343.358 3.119 10 5 EGBELO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153033646 454754035 /nfs/dbraw/zinc/75/40/35/454754035.db2.gz KQYMXZZOHVORTB-GFCCVEGCSA-N 1 2 343.358 3.119 10 5 EGBELO CCc1ccc(NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153125154 454762787 /nfs/dbraw/zinc/76/27/87/454762787.db2.gz HXHGCBJZADCFMO-UHFFFAOYSA-N 1 2 339.395 3.154 10 5 EGBELO CCc1ccc(NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153125154 454762790 /nfs/dbraw/zinc/76/27/90/454762790.db2.gz HXHGCBJZADCFMO-UHFFFAOYSA-N 1 2 339.395 3.154 10 5 EGBELO COC(=O)[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154515303 454903128 /nfs/dbraw/zinc/90/31/28/454903128.db2.gz LHOMZIBCIRZESJ-KSSFIOAISA-N 1 2 342.395 3.420 10 5 EGBELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167790859 454924078 /nfs/dbraw/zinc/92/40/78/454924078.db2.gz YQEVQMNHPDIJLT-JSGCOSHPSA-N 1 2 329.404 3.243 10 5 EGBELO CC(C)(C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265761941 455375917 /nfs/dbraw/zinc/37/59/17/455375917.db2.gz GTWHZDOFOBNMDR-UHFFFAOYSA-N 1 2 342.399 3.002 10 5 EGBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000185703060 455600866 /nfs/dbraw/zinc/60/08/66/455600866.db2.gz DIKQJOROYKZEDX-WYMLVPIESA-N 1 2 340.383 3.058 10 5 EGBELO CCC1(CC)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000187566848 455926919 /nfs/dbraw/zinc/92/69/19/455926919.db2.gz STNQPSFPMZSBNA-WCYCAPIHSA-N 1 2 336.457 3.231 10 5 EGBELO CCC1(CC)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000187566848 455926923 /nfs/dbraw/zinc/92/69/23/455926923.db2.gz STNQPSFPMZSBNA-WCYCAPIHSA-N 1 2 336.457 3.231 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000352780083 456299705 /nfs/dbraw/zinc/29/97/05/456299705.db2.gz ROTIQSKPQQQMBO-QGZVFWFLSA-N 1 2 342.395 3.047 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000352780083 456299709 /nfs/dbraw/zinc/29/97/09/456299709.db2.gz ROTIQSKPQQQMBO-QGZVFWFLSA-N 1 2 342.395 3.047 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(Oc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000302189554 456311670 /nfs/dbraw/zinc/31/16/70/456311670.db2.gz QPIWFMIKIQFIJY-UHFFFAOYSA-N 1 2 339.307 3.359 10 5 EGBELO CC(C)c1cnc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601148846 460731987 /nfs/dbraw/zinc/73/19/87/460731987.db2.gz GVBGONVJDKFSPF-INIZCTEOSA-N 1 2 335.429 3.172 10 5 EGBELO Cc1cc(N(C)CCc2cccc([N+](=O)[O-])c2)nc(-c2cccnc2)[nH+]1 ZINC000337809217 456561170 /nfs/dbraw/zinc/56/11/70/456561170.db2.gz LORYLBZJGQXXSZ-UHFFFAOYSA-N 1 2 349.394 3.434 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000338009808 456654841 /nfs/dbraw/zinc/65/48/41/456654841.db2.gz BDQYXQCUYLYDQZ-UHFFFAOYSA-N 1 2 344.758 3.134 10 5 EGBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000338950932 456872467 /nfs/dbraw/zinc/87/24/67/456872467.db2.gz GYTWJHJBUYMMJM-SFHVURJKSA-N 1 2 328.368 3.046 10 5 EGBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000338950932 456872471 /nfs/dbraw/zinc/87/24/71/456872471.db2.gz GYTWJHJBUYMMJM-SFHVURJKSA-N 1 2 328.368 3.046 10 5 EGBELO Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000339219732 456997965 /nfs/dbraw/zinc/99/79/65/456997965.db2.gz RGFCLLMDFJOVLT-OAHLLOKOSA-N 1 2 337.383 3.317 10 5 EGBELO CO[C@@H](C)c1noc(C[N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000347375961 457385900 /nfs/dbraw/zinc/38/59/00/457385900.db2.gz SPPLBZMUGHFQNH-FSBNRTBOSA-N 1 2 346.387 3.221 10 5 EGBELO CO[C@@H](C)c1noc(C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000347375961 457385911 /nfs/dbraw/zinc/38/59/11/457385911.db2.gz SPPLBZMUGHFQNH-FSBNRTBOSA-N 1 2 346.387 3.221 10 5 EGBELO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426738590 457889490 /nfs/dbraw/zinc/88/94/90/457889490.db2.gz XIQGQINAYBFXQU-ZDUSSCGKSA-N 1 2 341.415 3.079 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(OCc2c[nH+]cn2Cc2ccccc2)n1 ZINC000438288899 458555858 /nfs/dbraw/zinc/55/58/58/458555858.db2.gz ASVOXZDBXVVRPG-UHFFFAOYSA-N 1 2 338.367 3.430 10 5 EGBELO COc1cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000424192482 458581384 /nfs/dbraw/zinc/58/13/84/458581384.db2.gz IZDJNUVPFYWQGI-QZTJIDSGSA-N 1 2 346.358 3.339 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470955570 458669449 /nfs/dbraw/zinc/66/94/49/458669449.db2.gz MKMNEQMIGVCRGV-CMPLNLGQSA-N 1 2 345.321 3.114 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470955570 458669454 /nfs/dbraw/zinc/66/94/54/458669454.db2.gz MKMNEQMIGVCRGV-CMPLNLGQSA-N 1 2 345.321 3.114 10 5 EGBELO O=[N+]([O-])c1cc2ccccc2nc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000473506280 458831211 /nfs/dbraw/zinc/83/12/11/458831211.db2.gz HCZOSQJLCAOCOW-UHFFFAOYSA-N 1 2 335.367 3.304 10 5 EGBELO Cc1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1[N+](=O)[O-] ZINC000578264381 459171858 /nfs/dbraw/zinc/17/18/58/459171858.db2.gz SOQKRUQZDATCEO-UHFFFAOYSA-N 1 2 326.352 3.277 10 5 EGBELO Cc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1[N+](=O)[O-] ZINC000578264381 459171861 /nfs/dbraw/zinc/17/18/61/459171861.db2.gz SOQKRUQZDATCEO-UHFFFAOYSA-N 1 2 326.352 3.277 10 5 EGBELO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncnn21 ZINC000594956642 459192356 /nfs/dbraw/zinc/19/23/56/459192356.db2.gz KJZGQLLCSBGQNK-ABAIWWIYSA-N 1 2 339.355 3.242 10 5 EGBELO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296752 459270534 /nfs/dbraw/zinc/27/05/34/459270534.db2.gz IUBXSRQPRBLGGL-HNNXBMFYSA-N 1 2 331.372 3.409 10 5 EGBELO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595296752 459270540 /nfs/dbraw/zinc/27/05/40/459270540.db2.gz IUBXSRQPRBLGGL-HNNXBMFYSA-N 1 2 331.372 3.409 10 5 EGBELO CC[N@H+](Cc1occc1C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000591265805 459343646 /nfs/dbraw/zinc/34/36/46/459343646.db2.gz UJHLLYKVPVRETP-UHFFFAOYSA-N 1 2 332.356 3.305 10 5 EGBELO CC[N@@H+](Cc1occc1C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000591265805 459343650 /nfs/dbraw/zinc/34/36/50/459343650.db2.gz UJHLLYKVPVRETP-UHFFFAOYSA-N 1 2 332.356 3.305 10 5 EGBELO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000595759733 459428731 /nfs/dbraw/zinc/42/87/31/459428731.db2.gz OZXPXZLMBOEXEI-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO COc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000595759733 459428736 /nfs/dbraw/zinc/42/87/36/459428736.db2.gz OZXPXZLMBOEXEI-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595760842 459430243 /nfs/dbraw/zinc/43/02/43/459430243.db2.gz UTOLBQRLLOLRAF-SFHVURJKSA-N 1 2 346.358 3.186 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2c2cccc(F)c2)cc1 ZINC000595760842 459430246 /nfs/dbraw/zinc/43/02/46/459430246.db2.gz UTOLBQRLLOLRAF-SFHVURJKSA-N 1 2 346.358 3.186 10 5 EGBELO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595816843 459451226 /nfs/dbraw/zinc/45/12/26/459451226.db2.gz YGOLQPDFUVUACG-GFCCVEGCSA-N 1 2 330.388 3.005 10 5 EGBELO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595816843 459451231 /nfs/dbraw/zinc/45/12/31/459451231.db2.gz YGOLQPDFUVUACG-GFCCVEGCSA-N 1 2 330.388 3.005 10 5 EGBELO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562066219 459508839 /nfs/dbraw/zinc/50/88/39/459508839.db2.gz GGKUHDDSCMCOOI-DTORHVGOSA-N 1 2 346.168 3.182 10 5 EGBELO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891885 459478687 /nfs/dbraw/zinc/47/86/87/459478687.db2.gz QKCJLTBSRQBHGL-SMDDNHRTSA-N 1 2 332.322 3.179 10 5 EGBELO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595891885 459478691 /nfs/dbraw/zinc/47/86/91/459478691.db2.gz QKCJLTBSRQBHGL-SMDDNHRTSA-N 1 2 332.322 3.179 10 5 EGBELO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562066219 459508833 /nfs/dbraw/zinc/50/88/33/459508833.db2.gz GGKUHDDSCMCOOI-DTORHVGOSA-N 1 2 346.168 3.182 10 5 EGBELO COc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596214010 459562465 /nfs/dbraw/zinc/56/24/65/459562465.db2.gz AJUBGVZATQQSBU-GFCCVEGCSA-N 1 2 349.774 3.310 10 5 EGBELO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCCC2)O1 ZINC000594059251 460080524 /nfs/dbraw/zinc/08/05/24/460080524.db2.gz UZXKYRFFFBGIFP-ZDUSSCGKSA-N 1 2 344.415 3.395 10 5 EGBELO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCCCC2)O1 ZINC000594059251 460080533 /nfs/dbraw/zinc/08/05/33/460080533.db2.gz UZXKYRFFFBGIFP-ZDUSSCGKSA-N 1 2 344.415 3.395 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000589502302 460097073 /nfs/dbraw/zinc/09/70/73/460097073.db2.gz SZFPNRUPMYROSC-UHFFFAOYSA-N 1 2 344.289 3.076 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000589502302 460097079 /nfs/dbraw/zinc/09/70/79/460097079.db2.gz SZFPNRUPMYROSC-UHFFFAOYSA-N 1 2 344.289 3.076 10 5 EGBELO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(c3ccccc3F)C1)OCCO2 ZINC000589737184 460133950 /nfs/dbraw/zinc/13/39/50/460133950.db2.gz MMSNBXRNVNDGAJ-UHFFFAOYSA-N 1 2 344.342 3.105 10 5 EGBELO C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000599057437 460143148 /nfs/dbraw/zinc/14/31/48/460143148.db2.gz PNULVQHEHUHXHR-CXAGYDPISA-N 1 2 337.383 3.427 10 5 EGBELO CCO[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@]12CCCO2 ZINC000599067395 460148824 /nfs/dbraw/zinc/14/88/24/460148824.db2.gz VVXFUQWWKSDAIN-LZLYRXPVSA-N 1 2 343.383 3.282 10 5 EGBELO CCC(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000603555086 460320812 /nfs/dbraw/zinc/32/08/12/460320812.db2.gz ZHFZDIOMHPDNPD-AWEZNQCLSA-N 1 2 333.432 3.236 10 5 EGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611513749 460384602 /nfs/dbraw/zinc/38/46/02/460384602.db2.gz UDVFTHKGQVCVLO-UHFFFAOYSA-N 1 2 348.265 3.096 10 5 EGBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000882086208 1301821989 /nfs/dbraw/zinc/82/19/89/1301821989.db2.gz DJDUDWLSFWFHGE-BLLLJJGKSA-N 1 2 328.372 3.081 10 5 EGBELO Cc1cn(C(C)(C)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000896854135 1310053712 /nfs/dbraw/zinc/05/37/12/1310053712.db2.gz XCDOMTAMUJVAHD-CYBMUJFWSA-N 1 2 330.388 3.021 10 5 EGBELO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001195113667 1368381395 /nfs/dbraw/zinc/38/13/95/1368381395.db2.gz OKQVXEQPYYZJLL-HNNXBMFYSA-N 1 2 341.411 3.007 10 5 EGBELO C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001195113667 1368381402 /nfs/dbraw/zinc/38/14/02/1368381402.db2.gz OKQVXEQPYYZJLL-HNNXBMFYSA-N 1 2 341.411 3.007 10 5 EGBELO CNc1cc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc[nH+]1 ZINC001164190573 1383164539 /nfs/dbraw/zinc/16/45/39/1383164539.db2.gz FONIVRKUINAPGJ-UHFFFAOYSA-N 1 2 327.266 3.057 10 5 EGBELO C[C@H]([C@H](C)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001306962383 1383926839 /nfs/dbraw/zinc/92/68/39/1383926839.db2.gz NPUFVMKTMCGCPB-WDEREUQCSA-N 1 2 347.337 3.135 10 5 EGBELO CCCN(C(=O)CC)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001713854206 1418651290 /nfs/dbraw/zinc/65/12/90/1418651290.db2.gz DBHHEEABLPJDFE-UHFFFAOYSA-N 1 2 339.461 3.269 10 5 EGBELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000167791030 529750201 /nfs/dbraw/zinc/75/02/01/529750201.db2.gz YQEVQMNHPDIJLT-OCCSQVGLSA-N 1 2 329.404 3.243 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000016420194 211902499 /nfs/dbraw/zinc/90/24/99/211902499.db2.gz BAKXFYPWHAVIPT-CYBMUJFWSA-N 1 2 347.440 3.308 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000016420194 211902503 /nfs/dbraw/zinc/90/25/03/211902503.db2.gz BAKXFYPWHAVIPT-CYBMUJFWSA-N 1 2 347.440 3.308 10 5 EGBELO Cn1cc([C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C)cn1 ZINC000351735266 144298756 /nfs/dbraw/zinc/29/87/56/144298756.db2.gz LQRNAGQQSQJERQ-HNNXBMFYSA-N 1 2 338.358 3.484 10 5 EGBELO COc1cc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000359883562 286221132 /nfs/dbraw/zinc/22/11/32/286221132.db2.gz WMKINYILKDSSHN-ZDUSSCGKSA-N 1 2 328.368 3.387 10 5 EGBELO COc1cc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000359883562 286221133 /nfs/dbraw/zinc/22/11/33/286221133.db2.gz WMKINYILKDSSHN-ZDUSSCGKSA-N 1 2 328.368 3.387 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116288650 152054600 /nfs/dbraw/zinc/05/46/00/152054600.db2.gz NCJKQBPBKOXLDC-HNNXBMFYSA-N 1 2 329.356 3.272 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116288650 152054603 /nfs/dbraw/zinc/05/46/03/152054603.db2.gz NCJKQBPBKOXLDC-HNNXBMFYSA-N 1 2 329.356 3.272 10 5 EGBELO Cc1cc(N[C@H]2CCCC[C@H]2O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301274311 308694522 /nfs/dbraw/zinc/69/45/22/308694522.db2.gz YITIVDFRXDAPBH-LSDHHAIUSA-N 1 2 328.372 3.076 10 5 EGBELO CN(C[C@@H]1CC=CCC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811006 309989433 /nfs/dbraw/zinc/98/94/33/309989433.db2.gz LXKLHVOGWFHAOC-MRXNPFEDSA-N 1 2 345.443 3.220 10 5 EGBELO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000450359905 310117674 /nfs/dbraw/zinc/11/76/74/310117674.db2.gz IUGXPHKNHLNDNC-UHFFFAOYSA-N 1 2 341.415 3.128 10 5 EGBELO COC(=O)c1cc(NCc2c[nH+]c(C)cc2C)cc(C)c1[N+](=O)[O-] ZINC000450907549 310149084 /nfs/dbraw/zinc/14/90/84/310149084.db2.gz KJHSLPMKNZVJGY-UHFFFAOYSA-N 1 2 329.356 3.314 10 5 EGBELO C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451120532 310161557 /nfs/dbraw/zinc/16/15/57/310161557.db2.gz KLMUSFDVHCPXBF-RDBSUJKOSA-N 1 2 342.399 3.287 10 5 EGBELO Cc1sc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000032420314 453871734 /nfs/dbraw/zinc/87/17/34/453871734.db2.gz DDJUFURDUPINRZ-UHFFFAOYSA-N 1 2 344.396 3.053 10 5 EGBELO COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)cc([N+](=O)[O-])c1O ZINC000095982447 454249198 /nfs/dbraw/zinc/24/91/98/454249198.db2.gz QNNCHNZZBAGBHT-UHFFFAOYSA-N 1 2 334.294 3.083 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000120032088 454250625 /nfs/dbraw/zinc/25/06/25/454250625.db2.gz WMNYMQXDQJBQOG-CQSZACIVSA-N 1 2 343.387 3.105 10 5 EGBELO COc1cc(NCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])cc1F ZINC000091628363 454451925 /nfs/dbraw/zinc/45/19/25/454451925.db2.gz ZKCQRJAKWOBAEU-UHFFFAOYSA-N 1 2 330.319 3.311 10 5 EGBELO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093687786 454728483 /nfs/dbraw/zinc/72/84/83/454728483.db2.gz LPQRIZHEKDWDMM-MRXNPFEDSA-N 1 2 330.384 3.074 10 5 EGBELO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093687786 454728486 /nfs/dbraw/zinc/72/84/86/454728486.db2.gz LPQRIZHEKDWDMM-MRXNPFEDSA-N 1 2 330.384 3.074 10 5 EGBELO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153068231 454757189 /nfs/dbraw/zinc/75/71/89/454757189.db2.gz OAFKYPRWNBNPNY-UHFFFAOYSA-N 1 2 344.367 3.095 10 5 EGBELO CCc1oc(C(=O)OC)cc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153068231 454757192 /nfs/dbraw/zinc/75/71/92/454757192.db2.gz OAFKYPRWNBNPNY-UHFFFAOYSA-N 1 2 344.367 3.095 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157507682 455201830 /nfs/dbraw/zinc/20/18/30/455201830.db2.gz MDZPBIPAIRTGON-OAHLLOKOSA-N 1 2 334.397 3.238 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157507682 455201835 /nfs/dbraw/zinc/20/18/35/455201835.db2.gz MDZPBIPAIRTGON-OAHLLOKOSA-N 1 2 334.397 3.238 10 5 EGBELO CC(C)[N@H+](Cc1nnc(C2CCC2)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000181140069 455293502 /nfs/dbraw/zinc/29/35/02/455293502.db2.gz NEXWJFAVMHZCHZ-UHFFFAOYSA-N 1 2 343.431 3.401 10 5 EGBELO CC(C)[N@@H+](Cc1nnc(C2CCC2)n1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000181140069 455293507 /nfs/dbraw/zinc/29/35/07/455293507.db2.gz NEXWJFAVMHZCHZ-UHFFFAOYSA-N 1 2 343.431 3.401 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245687729 455356127 /nfs/dbraw/zinc/35/61/27/455356127.db2.gz LBWWIBCCMRDATL-VXGBXAGGSA-N 1 2 331.338 3.224 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000245687729 455356130 /nfs/dbraw/zinc/35/61/30/455356130.db2.gz LBWWIBCCMRDATL-VXGBXAGGSA-N 1 2 331.338 3.224 10 5 EGBELO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[NH+](C2CC2)CC1 ZINC000277708402 455640857 /nfs/dbraw/zinc/64/08/57/455640857.db2.gz LQWHKKSDCKJBPX-UHFFFAOYSA-N 1 2 347.418 3.014 10 5 EGBELO CC1(C)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280366703 455955909 /nfs/dbraw/zinc/95/59/09/455955909.db2.gz UVVIWZQTGSIPKY-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000280366703 455955911 /nfs/dbraw/zinc/95/59/11/455955911.db2.gz UVVIWZQTGSIPKY-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO COCc1cc([N+](=O)[O-])ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301378886 456103138 /nfs/dbraw/zinc/10/31/38/456103138.db2.gz ZCHCOZQTZZHKRZ-UHFFFAOYSA-N 1 2 342.399 3.217 10 5 EGBELO COC(=O)c1cc(NCCc2ccc(C)[nH+]c2)cc(C)c1[N+](=O)[O-] ZINC000301630924 456169413 /nfs/dbraw/zinc/16/94/13/456169413.db2.gz BMSDNHOCDVXUCN-UHFFFAOYSA-N 1 2 329.356 3.048 10 5 EGBELO O=[N+]([O-])c1cc(F)cnc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000601142367 460728699 /nfs/dbraw/zinc/72/86/99/460728699.db2.gz ZECHUTDKXGRRBU-UHFFFAOYSA-N 1 2 333.367 3.022 10 5 EGBELO Cc1cc(N[C@@H]2CCC[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000298162862 456378926 /nfs/dbraw/zinc/37/89/26/456378926.db2.gz DQZJHMGWSXZKGP-UKRRQHHQSA-N 1 2 342.399 3.323 10 5 EGBELO Cc1cc(N[C@@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000277435075 456823662 /nfs/dbraw/zinc/82/36/62/456823662.db2.gz IZXMQMMPWVDGAH-XHDPSFHLSA-N 1 2 328.372 3.197 10 5 EGBELO CCn1c(C)nc([N+](=O)[O-])c1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000360891828 457412499 /nfs/dbraw/zinc/41/24/99/457412499.db2.gz QQJCNKSHECIISA-UHFFFAOYSA-N 1 2 334.767 3.033 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000430222915 458424039 /nfs/dbraw/zinc/42/40/39/458424039.db2.gz GXDBMASMRVAQJY-SFHVURJKSA-N 1 2 334.416 3.385 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000430222915 458424045 /nfs/dbraw/zinc/42/40/45/458424045.db2.gz GXDBMASMRVAQJY-SFHVURJKSA-N 1 2 334.416 3.385 10 5 EGBELO CCOc1cccc(NCc2ccnc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000378040906 458608748 /nfs/dbraw/zinc/60/87/48/458608748.db2.gz MAOCYDFDWWSAHN-UHFFFAOYSA-N 1 2 339.355 3.186 10 5 EGBELO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919681 459488055 /nfs/dbraw/zinc/48/80/55/459488055.db2.gz RCRPPTTWAUUBGF-MEDUHNTESA-N 1 2 344.358 3.238 10 5 EGBELO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595919681 459488061 /nfs/dbraw/zinc/48/80/61/459488061.db2.gz RCRPPTTWAUUBGF-MEDUHNTESA-N 1 2 344.358 3.238 10 5 EGBELO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000574752599 459866614 /nfs/dbraw/zinc/86/66/14/459866614.db2.gz LVSQUXQZNONZAS-AWEZNQCLSA-N 1 2 345.424 3.080 10 5 EGBELO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000574752599 459866622 /nfs/dbraw/zinc/86/66/22/459866622.db2.gz LVSQUXQZNONZAS-AWEZNQCLSA-N 1 2 345.424 3.080 10 5 EGBELO O=[N+]([O-])c1c(NCc2nnc3n2CCCCC3)ccc2c[nH+]ccc21 ZINC000599016410 460126813 /nfs/dbraw/zinc/12/68/13/460126813.db2.gz SRDGZKPANSEFEE-UHFFFAOYSA-N 1 2 338.371 3.073 10 5 EGBELO CN(CCC(=O)OC(C)(C)C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599059505 460145547 /nfs/dbraw/zinc/14/55/47/460145547.db2.gz XWGCPVIUNQQXRY-UHFFFAOYSA-N 1 2 331.372 3.311 10 5 EGBELO Cc1cc(NCC[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599116365 460164486 /nfs/dbraw/zinc/16/44/86/460164486.db2.gz HMMKUUJZCYYJNG-AWEZNQCLSA-N 1 2 342.399 3.011 10 5 EGBELO Cc1cc(NC[C@@H](C)c2ccncc2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000610517080 460173333 /nfs/dbraw/zinc/17/33/33/460173333.db2.gz WDJFGVKNGCLKLK-CYBMUJFWSA-N 1 2 349.394 3.393 10 5 EGBELO O=C(Nc1cccc(C2CC2)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000353703281 547697088 /nfs/dbraw/zinc/69/70/88/547697088.db2.gz YJTTVWPYFYKQDG-UHFFFAOYSA-N 1 2 349.350 3.305 10 5 EGBELO O=C(Oc1cccc(F)c1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001125740717 1372844743 /nfs/dbraw/zinc/84/47/43/1372844743.db2.gz OJFNZAIWTKPDSU-UHFFFAOYSA-N 1 2 345.261 3.278 10 5 EGBELO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001349598140 1391344289 /nfs/dbraw/zinc/34/42/89/1391344289.db2.gz KEERLYOKFNKRFB-UHFFFAOYSA-N 1 2 348.790 3.066 10 5 EGBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000183915514 235260007 /nfs/dbraw/zinc/26/00/07/235260007.db2.gz XSEVORLKBLYOPL-UHFFFAOYSA-N 1 2 341.367 3.149 10 5 EGBELO Cc1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000038091477 213200783 /nfs/dbraw/zinc/20/07/83/213200783.db2.gz GDCPWGBQFLZUOU-UHFFFAOYSA-N 1 2 342.218 3.412 10 5 EGBELO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1O ZINC000093453570 218225813 /nfs/dbraw/zinc/22/58/13/218225813.db2.gz XFZFZYZBMGNCTE-OAHLLOKOSA-N 1 2 343.383 3.350 10 5 EGBELO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c([N+](=O)[O-])cc1O ZINC000093453570 218225815 /nfs/dbraw/zinc/22/58/15/218225815.db2.gz XFZFZYZBMGNCTE-OAHLLOKOSA-N 1 2 343.383 3.350 10 5 EGBELO COc1cc2c(cc1F)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000348793997 141247275 /nfs/dbraw/zinc/24/72/75/141247275.db2.gz NUPAFNHOIUWFKD-UHFFFAOYSA-N 1 2 346.358 3.180 10 5 EGBELO COc1cc2c(cc1F)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000348793997 141247278 /nfs/dbraw/zinc/24/72/78/141247278.db2.gz NUPAFNHOIUWFKD-UHFFFAOYSA-N 1 2 346.358 3.180 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116292923 152054744 /nfs/dbraw/zinc/05/47/44/152054744.db2.gz POQKOKUCBHWNTQ-HNNXBMFYSA-N 1 2 329.356 3.272 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116292923 152054746 /nfs/dbraw/zinc/05/47/46/152054746.db2.gz POQKOKUCBHWNTQ-HNNXBMFYSA-N 1 2 329.356 3.272 10 5 EGBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000191344899 153188850 /nfs/dbraw/zinc/18/88/50/153188850.db2.gz DYFZUNJUBSRSKR-UHFFFAOYSA-N 1 2 345.403 3.386 10 5 EGBELO Cc1c([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000130967458 162386338 /nfs/dbraw/zinc/38/63/38/162386338.db2.gz FPVVQANBXOYOOL-STQMWFEESA-N 1 2 329.404 3.243 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000351976846 165175029 /nfs/dbraw/zinc/17/50/29/165175029.db2.gz CSAYZUDRZQULCG-SFHVURJKSA-N 1 2 328.368 3.177 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000351976846 165175030 /nfs/dbraw/zinc/17/50/30/165175030.db2.gz CSAYZUDRZQULCG-SFHVURJKSA-N 1 2 328.368 3.177 10 5 EGBELO COc1cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351984512 165177564 /nfs/dbraw/zinc/17/75/64/165177564.db2.gz NKSDRSMVXGFKGD-MRXNPFEDSA-N 1 2 346.383 3.378 10 5 EGBELO COc1cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000351984512 165177567 /nfs/dbraw/zinc/17/75/67/165177567.db2.gz NKSDRSMVXGFKGD-MRXNPFEDSA-N 1 2 346.383 3.378 10 5 EGBELO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000178773076 265340764 /nfs/dbraw/zinc/34/07/64/265340764.db2.gz NTPJSAZLTZORBK-UHFFFAOYSA-N 1 2 335.404 3.113 10 5 EGBELO Cc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc(-c2cccnc2)[nH+]1 ZINC000193521325 266040086 /nfs/dbraw/zinc/04/00/86/266040086.db2.gz LADJXTAOMINESC-UHFFFAOYSA-N 1 2 335.367 3.410 10 5 EGBELO C[C@H]1CC(C)(C)CN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000413555197 309037322 /nfs/dbraw/zinc/03/73/22/309037322.db2.gz CTORPXOTMFHWTJ-AWEZNQCLSA-N 1 2 333.432 3.052 10 5 EGBELO Cc1cc(N[C@H]2CCCC[C@@H]2O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301274309 308694442 /nfs/dbraw/zinc/69/44/42/308694442.db2.gz YITIVDFRXDAPBH-GJZGRUSLSA-N 1 2 328.372 3.076 10 5 EGBELO COc1cc(NC2CCN(c3cccc[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301871767 308719310 /nfs/dbraw/zinc/71/93/10/308719310.db2.gz IZKGIBHAEFQYBH-UHFFFAOYSA-N 1 2 346.362 3.218 10 5 EGBELO CC(C)(C)[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000413222152 309022227 /nfs/dbraw/zinc/02/22/27/309022227.db2.gz KCXZCUPUPQWCPX-HOTGVXAUSA-N 1 2 329.400 3.376 10 5 EGBELO CC(C)([NH2+]Cc1nc(-c2ccoc2)no1)c1ccccc1[N+](=O)[O-] ZINC000429233385 309574481 /nfs/dbraw/zinc/57/44/81/309574481.db2.gz DYRURPWUIRPTJS-UHFFFAOYSA-N 1 2 328.328 3.263 10 5 EGBELO C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451120529 310161593 /nfs/dbraw/zinc/16/15/93/310161593.db2.gz KLMUSFDVHCPXBF-HZSPNIEDSA-N 1 2 342.399 3.287 10 5 EGBELO COc1cc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc(OC)c1 ZINC000505912227 312039173 /nfs/dbraw/zinc/03/91/73/312039173.db2.gz JZHCTEDRZUINDA-UHFFFAOYSA-N 1 2 334.347 3.383 10 5 EGBELO COc1cc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc(OC)c1 ZINC000505912227 312039175 /nfs/dbraw/zinc/03/91/75/312039175.db2.gz JZHCTEDRZUINDA-UHFFFAOYSA-N 1 2 334.347 3.383 10 5 EGBELO O=[N+]([O-])c1cccc2c1CCN(Cc1[nH+]ccn1Cc1ccccc1)C2 ZINC000533795798 313933378 /nfs/dbraw/zinc/93/33/78/313933378.db2.gz BLRJQJBFPVOQEA-UHFFFAOYSA-N 1 2 348.406 3.398 10 5 EGBELO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000183074136 455223653 /nfs/dbraw/zinc/22/36/53/455223653.db2.gz IDKQHYFXAPPKCQ-LLVKDONJSA-N 1 2 328.328 3.397 10 5 EGBELO Cn1c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2[nH+]c1C1CC1 ZINC000089870595 454221950 /nfs/dbraw/zinc/22/19/50/454221950.db2.gz UCSDXBDMCQMGCJ-UHFFFAOYSA-N 1 2 337.339 3.006 10 5 EGBELO Cc1cnc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000091628963 454451534 /nfs/dbraw/zinc/45/15/34/454451534.db2.gz OSAHNVTWHNIWMT-AWEZNQCLSA-N 1 2 344.390 3.321 10 5 EGBELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153402843 454790299 /nfs/dbraw/zinc/79/02/99/454790299.db2.gz YJSDRESHKHJITR-GDBMZVCRSA-N 1 2 345.443 3.133 10 5 EGBELO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153402843 454790304 /nfs/dbraw/zinc/79/03/04/454790304.db2.gz YJSDRESHKHJITR-GDBMZVCRSA-N 1 2 345.443 3.133 10 5 EGBELO Cc1cc(NC(=O)c2ccc3[nH+]ccn3c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000183683641 455320425 /nfs/dbraw/zinc/32/04/25/455320425.db2.gz JAENZKMLFZEELM-UHFFFAOYSA-N 1 2 347.334 3.351 10 5 EGBELO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000184184069 455359128 /nfs/dbraw/zinc/35/91/28/455359128.db2.gz ZBLHPYWKNXROJK-GHMZBOCLSA-N 1 2 334.401 3.038 10 5 EGBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000185700990 455600500 /nfs/dbraw/zinc/60/05/00/455600500.db2.gz QUWUOTSXYKYMNC-CJTWTEFWSA-N 1 2 340.383 3.475 10 5 EGBELO O=[N+]([O-])c1ccc2[nH]c(NCCCCNc3cccc[nH+]3)nc2c1 ZINC000277859057 455688458 /nfs/dbraw/zinc/68/84/58/455688458.db2.gz NVXBNHIUTYSSCV-UHFFFAOYSA-N 1 2 326.360 3.170 10 5 EGBELO CO[C@@H](C)c1noc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345547 455921079 /nfs/dbraw/zinc/92/10/79/455921079.db2.gz PLRRJUSYWGNOAI-NEPJUHHUSA-N 1 2 334.376 3.187 10 5 EGBELO CO[C@@H](C)c1noc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345547 455921083 /nfs/dbraw/zinc/92/10/83/455921083.db2.gz PLRRJUSYWGNOAI-NEPJUHHUSA-N 1 2 334.376 3.187 10 5 EGBELO CO[C@H](C)c1noc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345553 455921381 /nfs/dbraw/zinc/92/13/81/455921381.db2.gz PLRRJUSYWGNOAI-VXGBXAGGSA-N 1 2 334.376 3.187 10 5 EGBELO CO[C@H](C)c1noc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000272345553 455921384 /nfs/dbraw/zinc/92/13/84/455921384.db2.gz PLRRJUSYWGNOAI-VXGBXAGGSA-N 1 2 334.376 3.187 10 5 EGBELO CC[N@@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@H](C)C1 ZINC000288491606 456096809 /nfs/dbraw/zinc/09/68/09/456096809.db2.gz PUJFPDOVXSBBHJ-CQSZACIVSA-N 1 2 349.434 3.260 10 5 EGBELO CC[N@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@H](C)C1 ZINC000288491606 456096816 /nfs/dbraw/zinc/09/68/16/456096816.db2.gz PUJFPDOVXSBBHJ-CQSZACIVSA-N 1 2 349.434 3.260 10 5 EGBELO CCc1cc(N[C@@H](C)[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301357639 456097868 /nfs/dbraw/zinc/09/78/68/456097868.db2.gz NQUXBUMUCLULLW-NEPJUHHUSA-N 1 2 330.388 3.043 10 5 EGBELO Cc1cc(NCCc2ccccc2[N+](=O)[O-])nc(-c2cccnc2)[nH+]1 ZINC000301467338 456123428 /nfs/dbraw/zinc/12/34/28/456123428.db2.gz QPRUAEPBLKCBIG-UHFFFAOYSA-N 1 2 335.367 3.410 10 5 EGBELO Cn1c(CCCNc2ncc(F)cc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000601123812 460718913 /nfs/dbraw/zinc/71/89/13/460718913.db2.gz KRWKIJAYWZGWMY-UHFFFAOYSA-N 1 2 329.335 3.060 10 5 EGBELO CCC1(CC)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000347757890 456353387 /nfs/dbraw/zinc/35/33/87/456353387.db2.gz STNQPSFPMZSBNA-LSYMRDCYSA-N 1 2 336.457 3.231 10 5 EGBELO CCC1(CC)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000347757890 456353393 /nfs/dbraw/zinc/35/33/93/456353393.db2.gz STNQPSFPMZSBNA-LSYMRDCYSA-N 1 2 336.457 3.231 10 5 EGBELO C[C@@](CO)([NH2+]Cc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000601148623 460730889 /nfs/dbraw/zinc/73/08/89/460730889.db2.gz FSJFLSHGUGFYHY-INIZCTEOSA-N 1 2 340.301 3.009 10 5 EGBELO C[N@H+](CCCOCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339158741 456969926 /nfs/dbraw/zinc/96/99/26/456969926.db2.gz RUDJSQMLHSAXMG-UHFFFAOYSA-N 1 2 330.384 3.339 10 5 EGBELO C[N@@H+](CCCOCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339158741 456969929 /nfs/dbraw/zinc/96/99/29/456969929.db2.gz RUDJSQMLHSAXMG-UHFFFAOYSA-N 1 2 330.384 3.339 10 5 EGBELO O=[N+]([O-])c1cccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000356590797 457072403 /nfs/dbraw/zinc/07/24/03/457072403.db2.gz JQWPBPMCHIKWPQ-UHFFFAOYSA-N 1 2 333.307 3.498 10 5 EGBELO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374197939 457519301 /nfs/dbraw/zinc/51/93/01/457519301.db2.gz KYHYAJMTVOVEGN-UHFFFAOYSA-N 1 2 349.778 3.383 10 5 EGBELO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197939 457519307 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ZINC000050932811 454601872 /nfs/dbraw/zinc/60/18/72/454601872.db2.gz UMGMBLROGRSYIC-UHFFFAOYSA-N 1 2 327.369 3.429 10 5 EGBELO Cc1nc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000105797133 454656875 /nfs/dbraw/zinc/65/68/75/454656875.db2.gz PBHRTLQALMLDDK-CQSZACIVSA-N 1 2 344.415 3.078 10 5 EGBELO C[C@H](OC(=O)c1ccnc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000124745135 454766675 /nfs/dbraw/zinc/76/66/75/454766675.db2.gz FCINIIACXKVQDK-LBPRGKRZSA-N 1 2 338.323 3.094 10 5 EGBELO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153194244 454769545 /nfs/dbraw/zinc/76/95/45/454769545.db2.gz OPAFHWAVIYLFGU-AWEZNQCLSA-N 1 2 345.443 3.133 10 5 EGBELO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153194244 454769549 /nfs/dbraw/zinc/76/95/49/454769549.db2.gz OPAFHWAVIYLFGU-AWEZNQCLSA-N 1 2 345.443 3.133 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cs1 ZINC000152136205 455077731 /nfs/dbraw/zinc/07/77/31/455077731.db2.gz 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COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348812927 456867522 /nfs/dbraw/zinc/86/75/22/456867522.db2.gz RBCAEQANHFKJTH-UHFFFAOYSA-N 1 2 346.358 3.309 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348812927 456867524 /nfs/dbraw/zinc/86/75/24/456867524.db2.gz RBCAEQANHFKJTH-UHFFFAOYSA-N 1 2 346.358 3.309 10 5 EGBELO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000338997670 456892187 /nfs/dbraw/zinc/89/21/87/456892187.db2.gz KGEDIBSCJHEATB-UHFFFAOYSA-N 1 2 328.368 3.306 10 5 EGBELO COc1ccc2c(c1)OCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000338997670 456892190 /nfs/dbraw/zinc/89/21/90/456892190.db2.gz KGEDIBSCJHEATB-UHFFFAOYSA-N 1 2 328.368 3.306 10 5 EGBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000339088696 456935882 /nfs/dbraw/zinc/93/58/82/456935882.db2.gz ZXCNSCVKAJDHQL-OAVHHTNSSA-N 1 2 328.368 3.343 10 5 EGBELO Cc1cn2cc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)ccc2[nH+]1 ZINC000339115455 456947755 /nfs/dbraw/zinc/94/77/55/456947755.db2.gz AIIYFPYPEHCQAC-UHFFFAOYSA-N 1 2 335.323 3.285 10 5 EGBELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000371435292 457928522 /nfs/dbraw/zinc/92/85/22/457928522.db2.gz BOCYCVWNHGERPD-OLZOCXBDSA-N 1 2 329.404 3.325 10 5 EGBELO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436597314 458341593 /nfs/dbraw/zinc/34/15/93/458341593.db2.gz UUPAJBZBEMGJPO-UHFFFAOYSA-N 1 2 341.367 3.149 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000430222913 458424738 /nfs/dbraw/zinc/42/47/38/458424738.db2.gz GXDBMASMRVAQJY-GOSISDBHSA-N 1 2 334.416 3.385 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000430222913 458424740 /nfs/dbraw/zinc/42/47/40/458424740.db2.gz GXDBMASMRVAQJY-GOSISDBHSA-N 1 2 334.416 3.385 10 5 EGBELO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncnn21 ZINC000594956089 459192019 /nfs/dbraw/zinc/19/20/19/459192019.db2.gz FADNYHPIDBNFLM-NHYWBVRUSA-N 1 2 339.355 3.242 10 5 EGBELO CCOc1ccc([C@H](C)[NH2+]Cc2nccc(OC)c2F)cc1[N+](=O)[O-] ZINC000595080404 459239446 /nfs/dbraw/zinc/23/94/46/459239446.db2.gz LSTAZJZDEAKBCC-NSHDSACASA-N 1 2 349.362 3.387 10 5 EGBELO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cc(F)cc3c1OCOC3)C2 ZINC000534512705 459329269 /nfs/dbraw/zinc/32/92/69/459329269.db2.gz CLWVZLWUDGLDLQ-UHFFFAOYSA-N 1 2 344.342 3.159 10 5 EGBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cc(F)cc3c1OCOC3)C2 ZINC000534512705 459329274 /nfs/dbraw/zinc/32/92/74/459329274.db2.gz CLWVZLWUDGLDLQ-UHFFFAOYSA-N 1 2 344.342 3.159 10 5 EGBELO COc1cccc([N+](=O)[O-])c1NCc1ccc[nH+]c1N1CCCC1 ZINC000596355581 459606378 /nfs/dbraw/zinc/60/63/78/459606378.db2.gz FVUCFRSYLOLGOF-UHFFFAOYSA-N 1 2 328.372 3.211 10 5 EGBELO COc1ccc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)nc1 ZINC000593036123 459748537 /nfs/dbraw/zinc/74/85/37/459748537.db2.gz CVIUKRKVHFPQGE-UHFFFAOYSA-N 1 2 343.383 3.084 10 5 EGBELO Cn1cc[nH+]c1[C@H](N[C@H]1CCCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000588232728 459935059 /nfs/dbraw/zinc/93/50/59/459935059.db2.gz ZMYVIDLPGGCFDB-UONOGXRCSA-N 1 2 336.342 3.195 10 5 EGBELO CCC(C)(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597954296 460126175 /nfs/dbraw/zinc/12/61/75/460126175.db2.gz IDBQRUBSGQWUSY-LBPRGKRZSA-N 1 2 330.388 3.335 10 5 EGBELO O=C1CCCCCN1CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599015833 460126972 /nfs/dbraw/zinc/12/69/72/460126972.db2.gz SBBFNPBKELPZON-UHFFFAOYSA-N 1 2 342.399 3.348 10 5 EGBELO CN(C)C(=O)[C@@H]1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599045440 460137881 /nfs/dbraw/zinc/13/78/81/460137881.db2.gz HNOLKKJIOPTYRF-TZMCWYRMSA-N 1 2 342.399 3.202 10 5 EGBELO CC(C)(C)n1ncnc1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599075761 460153535 /nfs/dbraw/zinc/15/35/35/460153535.db2.gz ZTJMSHBPHFNPIY-UHFFFAOYSA-N 1 2 326.360 3.102 10 5 EGBELO C[S@](=O)[C@@H]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599100362 460162147 /nfs/dbraw/zinc/16/21/47/460162147.db2.gz CJQKGYOFFDEQNN-BTELXILVSA-N 1 2 333.413 3.245 10 5 EGBELO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502379 460379402 /nfs/dbraw/zinc/37/94/02/460379402.db2.gz RRTBNUZZOSNEDD-KOLCDFICSA-N 1 2 348.321 3.385 10 5 EGBELO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502379 460379404 /nfs/dbraw/zinc/37/94/04/460379404.db2.gz RRTBNUZZOSNEDD-KOLCDFICSA-N 1 2 348.321 3.385 10 5 EGBELO O=[N+]([O-])c1cc2ccccc2nc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000365289880 547776669 /nfs/dbraw/zinc/77/66/69/547776669.db2.gz BMOGDLVPDWGZBJ-UHFFFAOYSA-N 1 2 349.394 3.041 10 5 EGBELO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000733331953 575328869 /nfs/dbraw/zinc/32/88/69/575328869.db2.gz OQYQQRUATLNQEY-UHFFFAOYSA-N 1 2 334.759 3.309 10 5 EGBELO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000872085024 1296725572 /nfs/dbraw/zinc/72/55/72/1296725572.db2.gz MLSVJPPTUBFQQX-OUJBWJOFSA-N 1 2 333.417 3.265 10 5 EGBELO CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)n1cc[nH+]c1 ZINC000898899128 1310864718 /nfs/dbraw/zinc/86/47/18/1310864718.db2.gz IDEQXUFBTNEKOL-UHFFFAOYSA-N 1 2 344.396 3.171 10 5 EGBELO CC[C@@](O)(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000930059866 1328775467 /nfs/dbraw/zinc/77/54/67/1328775467.db2.gz DHMQEIRMIPYHJD-CQSZACIVSA-N 1 2 332.322 3.263 10 5 EGBELO CC[C@@](O)(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000930059866 1328775471 /nfs/dbraw/zinc/77/54/71/1328775471.db2.gz DHMQEIRMIPYHJD-CQSZACIVSA-N 1 2 332.322 3.263 10 5 EGBELO CCc1[nH]nc(Cl)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000921835426 1322408010 /nfs/dbraw/zinc/40/80/10/1322408010.db2.gz USPLAZNRRNDDIX-UHFFFAOYSA-N 1 2 329.187 3.477 10 5 EGBELO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC001197051454 1368735473 /nfs/dbraw/zinc/73/54/73/1368735473.db2.gz KQVRSNNZHCGKMU-UHFFFAOYSA-N 1 2 333.338 3.195 10 5 EGBELO CN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124836810 1372734637 /nfs/dbraw/zinc/73/46/37/1372734637.db2.gz PSTWOPICVOWNLO-UHFFFAOYSA-N 1 2 342.380 3.114 10 5 EGBELO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001132622704 1375489337 /nfs/dbraw/zinc/48/93/37/1375489337.db2.gz PNKZUVGOQHGGHB-MRXNPFEDSA-N 1 2 345.786 3.165 10 5 EGBELO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001132622704 1375489339 /nfs/dbraw/zinc/48/93/39/1375489339.db2.gz PNKZUVGOQHGGHB-MRXNPFEDSA-N 1 2 345.786 3.165 10 5 EGBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001163061921 1382959159 /nfs/dbraw/zinc/95/91/59/1382959159.db2.gz CLAYESYXSCXROG-OAHLLOKOSA-N 1 2 331.376 3.059 10 5 EGBELO CCNc1ccc(Nc2c3cc(F)ccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC001164393394 1383184226 /nfs/dbraw/zinc/18/42/26/1383184226.db2.gz IPYFRFPBBPHSRN-UHFFFAOYSA-N 1 2 327.319 3.274 10 5 EGBELO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001308166206 1384104202 /nfs/dbraw/zinc/10/42/02/1384104202.db2.gz IQXYBCJOJQJIQE-GHMZBOCLSA-N 1 2 343.221 3.357 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001308166206 1384104204 /nfs/dbraw/zinc/10/42/04/1384104204.db2.gz IQXYBCJOJQJIQE-GHMZBOCLSA-N 1 2 343.221 3.357 10 5 EGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001308560701 1384134022 /nfs/dbraw/zinc/13/40/22/1384134022.db2.gz LKGHPHAIWJYHER-DHDCSXOGSA-N 1 2 345.443 3.329 10 5 EGBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001308560701 1384134024 /nfs/dbraw/zinc/13/40/24/1384134024.db2.gz LKGHPHAIWJYHER-DHDCSXOGSA-N 1 2 345.443 3.329 10 5 EGBELO Cc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1[N+](=O)[O-] ZINC001171756505 1384625790 /nfs/dbraw/zinc/62/57/90/1384625790.db2.gz NEWOMVPUEOUUOO-UHFFFAOYSA-N 1 2 334.416 3.457 10 5 EGBELO Cc1ccc(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1[N+](=O)[O-] ZINC001171756505 1384625793 /nfs/dbraw/zinc/62/57/93/1384625793.db2.gz NEWOMVPUEOUUOO-UHFFFAOYSA-N 1 2 334.416 3.457 10 5 EGBELO O=C(NCCCC1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001347685094 1391110667 /nfs/dbraw/zinc/11/06/67/1391110667.db2.gz IOEIKJAIJBALCN-UHFFFAOYSA-N 1 2 342.399 3.481 10 5 EGBELO Cc1cc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC001348317691 1391205372 /nfs/dbraw/zinc/20/53/72/1391205372.db2.gz MWGUMNHLHYBKBG-LBPRGKRZSA-N 1 2 342.277 3.232 10 5 EGBELO CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001716719277 1420876071 /nfs/dbraw/zinc/87/60/71/1420876071.db2.gz VNJIYWRUJHKWPB-HDICACEKSA-N 1 2 345.443 3.350 10 5 EGBELO CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001716719277 1420876074 /nfs/dbraw/zinc/87/60/74/1420876074.db2.gz VNJIYWRUJHKWPB-HDICACEKSA-N 1 2 345.443 3.350 10 5 EGBELO Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000092068913 218113814 /nfs/dbraw/zinc/11/38/14/218113814.db2.gz HTCNJZAKTJVQGC-UHFFFAOYSA-N 1 2 342.321 3.288 10 5 EGBELO Cc1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000092068913 218113818 /nfs/dbraw/zinc/11/38/18/218113818.db2.gz HTCNJZAKTJVQGC-UHFFFAOYSA-N 1 2 342.321 3.288 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000268619809 252074580 /nfs/dbraw/zinc/07/45/80/252074580.db2.gz BFRDANCHGDTAPK-CPUCHLNUSA-N 1 2 346.383 3.073 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000268619809 252074584 /nfs/dbraw/zinc/07/45/84/252074584.db2.gz BFRDANCHGDTAPK-CPUCHLNUSA-N 1 2 346.383 3.073 10 5 EGBELO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(F)c(F)c1 ZINC000249207504 163060589 /nfs/dbraw/zinc/06/05/89/163060589.db2.gz BVADKHRYRXAPHZ-WCQYABFASA-N 1 2 340.355 3.187 10 5 EGBELO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccc(F)c(F)c1 ZINC000249207504 163060591 /nfs/dbraw/zinc/06/05/91/163060591.db2.gz BVADKHRYRXAPHZ-WCQYABFASA-N 1 2 340.355 3.187 10 5 EGBELO Cc1sc(C(=O)Nc2ccc3[nH]c(N(C)C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000344101070 164103105 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CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000092096381 454520635 /nfs/dbraw/zinc/52/06/35/454520635.db2.gz WSIOUDYIBFYOSB-AYOQOUSVSA-N 1 2 348.443 3.487 10 5 EGBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938791 455342871 /nfs/dbraw/zinc/34/28/71/455342871.db2.gz WZPDHUYMEXGAJR-NSHDSACASA-N 1 2 342.380 3.333 10 5 EGBELO COCc1cc([N+](=O)[O-])ccc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000301713978 456196244 /nfs/dbraw/zinc/19/62/44/456196244.db2.gz JCDPOTQWQKQYDL-UHFFFAOYSA-N 1 2 344.346 3.411 10 5 EGBELO Cc1ccn2cc(CNC(=O)Nc3ccc([N+](=O)[O-])c(C)c3)[nH+]c2c1 ZINC000352880609 456386693 /nfs/dbraw/zinc/38/66/93/456386693.db2.gz BDPFHVBAFNHTSW-UHFFFAOYSA-N 1 2 339.355 3.181 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340677965 456617763 /nfs/dbraw/zinc/61/77/63/456617763.db2.gz RNRFOVYHHQKADL-UHFFFAOYSA-N 1 2 344.415 3.041 10 5 EGBELO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000425450989 457559454 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3.127 10 5 EGBELO CC[C@H]1CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429295399 458312643 /nfs/dbraw/zinc/31/26/43/458312643.db2.gz PKLCZICNMGHJEC-NSHDSACASA-N 1 2 346.168 3.184 10 5 EGBELO CC[C@H]1CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000429295399 458312645 /nfs/dbraw/zinc/31/26/45/458312645.db2.gz PKLCZICNMGHJEC-NSHDSACASA-N 1 2 346.168 3.184 10 5 EGBELO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533804127 459268711 /nfs/dbraw/zinc/26/87/11/459268711.db2.gz ZQLBHBSLWCSEIB-JKIFEVAISA-N 1 2 345.443 3.036 10 5 EGBELO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533804127 459268716 /nfs/dbraw/zinc/26/87/16/459268716.db2.gz ZQLBHBSLWCSEIB-JKIFEVAISA-N 1 2 345.443 3.036 10 5 EGBELO Cn1cc[nH+]c1[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000560007746 459292054 /nfs/dbraw/zinc/29/20/54/459292054.db2.gz WXACLZJANNSADI-INIZCTEOSA-N 1 2 348.366 3.406 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000598946968 460099529 /nfs/dbraw/zinc/09/95/29/460099529.db2.gz JWKDZODHOBAHEL-AWEZNQCLSA-N 1 2 339.395 3.443 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000598946968 460099537 /nfs/dbraw/zinc/09/95/37/460099537.db2.gz JWKDZODHOBAHEL-AWEZNQCLSA-N 1 2 339.395 3.443 10 5 EGBELO CC(C)(C)OC(=O)[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599063271 460147599 /nfs/dbraw/zinc/14/75/99/460147599.db2.gz YGFOIMDUELFNAJ-ZDUSSCGKSA-N 1 2 343.383 3.311 10 5 EGBELO COC(=O)c1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)o1 ZINC000610995186 460274908 /nfs/dbraw/zinc/27/49/08/460274908.db2.gz VJUKPQGCHHECRX-UHFFFAOYSA-N 1 2 344.367 3.447 10 5 EGBELO COC(=O)c1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)o1 ZINC000610995186 460274912 /nfs/dbraw/zinc/27/49/12/460274912.db2.gz VJUKPQGCHHECRX-UHFFFAOYSA-N 1 2 344.367 3.447 10 5 EGBELO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)o1 ZINC000600205967 460438902 /nfs/dbraw/zinc/43/89/02/460438902.db2.gz VUVUYAHSDHFTRK-ZDUSSCGKSA-N 1 2 334.347 3.415 10 5 EGBELO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](CCF)C2)o1 ZINC000600205967 460438909 /nfs/dbraw/zinc/43/89/09/460438909.db2.gz VUVUYAHSDHFTRK-ZDUSSCGKSA-N 1 2 334.347 3.415 10 5 EGBELO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000616152326 460484713 /nfs/dbraw/zinc/48/47/13/460484713.db2.gz LMJGXIIMBKLIBK-ZDUSSCGKSA-N 1 2 345.374 3.150 10 5 EGBELO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000616152326 460484717 /nfs/dbraw/zinc/48/47/17/460484717.db2.gz LMJGXIIMBKLIBK-ZDUSSCGKSA-N 1 2 345.374 3.150 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000246695268 536699763 /nfs/dbraw/zinc/69/97/63/536699763.db2.gz MZWBOFMEUKATRT-KBMXLJTQSA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000246695268 536699769 /nfs/dbraw/zinc/69/97/69/536699769.db2.gz MZWBOFMEUKATRT-KBMXLJTQSA-N 1 2 340.807 3.017 10 5 EGBELO Cc1cccn2cc(COC(=O)c3ccc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000728344938 574741568 /nfs/dbraw/zinc/74/15/68/574741568.db2.gz UCTXYMSKVAPBOY-UHFFFAOYSA-N 1 2 325.324 3.216 10 5 EGBELO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872043642 1296692434 /nfs/dbraw/zinc/69/24/34/1296692434.db2.gz JPVIGRIPTNHAEQ-DOMZBBRYSA-N 1 2 343.358 3.190 10 5 EGBELO CC(C)C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)n1cc[nH+]c1 ZINC000923772912 1322805986 /nfs/dbraw/zinc/80/59/86/1322805986.db2.gz GABKPTKWJMQCRQ-AWEZNQCLSA-N 1 2 327.344 3.477 10 5 EGBELO Cc1cc(N2CCc3cc[nH+]c(N(C)C)c3C2)c(F)cc1[N+](=O)[O-] ZINC001187904212 1388187782 /nfs/dbraw/zinc/18/77/82/1388187782.db2.gz MVPWXKWXQZDVMC-UHFFFAOYSA-N 1 2 330.363 3.066 10 5 EGBELO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC001126097897 1372932974 /nfs/dbraw/zinc/93/29/74/1372932974.db2.gz SAMLSCLDEKLTIO-UHFFFAOYSA-N 1 2 344.758 3.467 10 5 EGBELO Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc3[nH+]ccn3c2)c1F ZINC001148506099 1379196004 /nfs/dbraw/zinc/19/60/04/1379196004.db2.gz STMQDFSOXIMDNQ-UHFFFAOYSA-N 1 2 332.266 3.081 10 5 EGBELO Cc1cc(Nc2c([N+](=O)[O-])cnn2C)c[nH+]c1N1CCCC[C@H]1C ZINC001162915551 1382915105 /nfs/dbraw/zinc/91/51/05/1382915105.db2.gz HZNHGRZIANKMIA-GFCCVEGCSA-N 1 2 330.392 3.154 10 5 EGBELO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001308121685 1384097301 /nfs/dbraw/zinc/09/73/01/1384097301.db2.gz KQRMBNSPULAOQB-VIFPVBQESA-N 1 2 347.198 3.287 10 5 EGBELO CCOC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001308121685 1384097307 /nfs/dbraw/zinc/09/73/07/1384097307.db2.gz KQRMBNSPULAOQB-VIFPVBQESA-N 1 2 347.198 3.287 10 5 EGBELO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H](C)CCO1 ZINC001308165900 1384103978 /nfs/dbraw/zinc/10/39/78/1384103978.db2.gz FAESGKXKKYFEAF-GHMZBOCLSA-N 1 2 343.221 3.357 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)[C@H](C)CCO1 ZINC001308165900 1384103980 /nfs/dbraw/zinc/10/39/80/1384103980.db2.gz FAESGKXKKYFEAF-GHMZBOCLSA-N 1 2 343.221 3.357 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC001333836883 1390419266 /nfs/dbraw/zinc/41/92/66/1390419266.db2.gz SISUHLCGLCFHIA-KGLIPLIRSA-N 1 2 330.306 3.063 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC001333836883 1390419269 /nfs/dbraw/zinc/41/92/69/1390419269.db2.gz SISUHLCGLCFHIA-KGLIPLIRSA-N 1 2 330.306 3.063 10 5 EGBELO Cc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)cc1Cl ZINC001353494647 1392023157 /nfs/dbraw/zinc/02/31/57/1392023157.db2.gz MVKBWAVWRILVRC-UHFFFAOYSA-N 1 2 330.731 3.457 10 5 EGBELO C/C=C(\C)C(=O)N(C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001690020790 1404260707 /nfs/dbraw/zinc/26/07/07/1404260707.db2.gz WQMHFJRBNKJTTC-UUILKARUSA-N 1 2 337.445 3.045 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@H](O)c2cccc(F)c2)c1 ZINC000049998700 214040160 /nfs/dbraw/zinc/04/01/60/214040160.db2.gz WXLFBNYRHYCRGX-INIZCTEOSA-N 1 2 327.315 3.331 10 5 EGBELO O=[N+]([O-])c1cc(Cl)cnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000153557874 224122722 /nfs/dbraw/zinc/12/27/22/224122722.db2.gz ONIDGXJTVLZAOX-UHFFFAOYSA-N 1 2 333.779 3.251 10 5 EGBELO CC(C)[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000352964589 141278541 /nfs/dbraw/zinc/27/85/41/141278541.db2.gz ZEJFYKXAMYJFPR-MRXNPFEDSA-N 1 2 343.362 3.264 10 5 EGBELO Cc1c(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cccc1[N+](=O)[O-] ZINC000185475035 144113600 /nfs/dbraw/zinc/11/36/00/144113600.db2.gz GMCVVESXTLGJLD-AWEZNQCLSA-N 1 2 337.383 3.335 10 5 EGBELO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000131053709 162388350 /nfs/dbraw/zinc/38/83/50/162388350.db2.gz MIYCCGMQXDCBOV-IUODEOHRSA-N 1 2 329.404 3.325 10 5 EGBELO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000345876283 164285026 /nfs/dbraw/zinc/28/50/26/164285026.db2.gz AQBDRSMWZQHPQA-UHFFFAOYSA-N 1 2 349.431 3.027 10 5 EGBELO CCc1cc(N2CCC(=O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275372696 267352631 /nfs/dbraw/zinc/35/26/31/267352631.db2.gz NQYWUWUBGGLIOY-GFCCVEGCSA-N 1 2 340.383 3.030 10 5 EGBELO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072897213 275151994 /nfs/dbraw/zinc/15/19/94/275151994.db2.gz ZKAADDICEQAJHL-WDEREUQCSA-N 1 2 325.796 3.307 10 5 EGBELO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000072897213 275151995 /nfs/dbraw/zinc/15/19/95/275151995.db2.gz ZKAADDICEQAJHL-WDEREUQCSA-N 1 2 325.796 3.307 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278616644 275259374 /nfs/dbraw/zinc/25/93/74/275259374.db2.gz FSRBCCDWXIIHMJ-GHMZBOCLSA-N 1 2 345.321 3.196 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278616644 275259375 /nfs/dbraw/zinc/25/93/75/275259375.db2.gz FSRBCCDWXIIHMJ-GHMZBOCLSA-N 1 2 345.321 3.196 10 5 EGBELO CC(=O)c1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000287718291 276150539 /nfs/dbraw/zinc/15/05/39/276150539.db2.gz FENCVKZXSGSHQG-PXAZEXFGSA-N 1 2 328.372 3.081 10 5 EGBELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000366610828 281648468 /nfs/dbraw/zinc/64/84/68/281648468.db2.gz TVENORLYZZHCPT-INIZCTEOSA-N 1 2 342.399 3.487 10 5 EGBELO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3nnc(C4CC4)[nH]3)o2)c1 ZINC000294688025 308246063 /nfs/dbraw/zinc/24/60/63/308246063.db2.gz CDAZRTOMASFNPX-UHFFFAOYSA-N 1 2 339.355 3.140 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)c1 ZINC000301341334 308697109 /nfs/dbraw/zinc/69/71/09/308697109.db2.gz IPPXCYOEZLRVMN-UHFFFAOYSA-N 1 2 330.319 3.045 10 5 EGBELO C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451120530 310161625 /nfs/dbraw/zinc/16/16/25/310161625.db2.gz KLMUSFDVHCPXBF-MCIONIFRSA-N 1 2 342.399 3.287 10 5 EGBELO CC[C@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000455476222 310362553 /nfs/dbraw/zinc/36/25/53/310362553.db2.gz SPGHKFVNIMADSZ-WFASDCNBSA-N 1 2 345.403 3.323 10 5 EGBELO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000552230589 315207806 /nfs/dbraw/zinc/20/78/06/315207806.db2.gz MNDQMCKCDYEHSZ-HDJSIYSDSA-N 1 2 340.383 3.143 10 5 EGBELO Cc1cc(N2CCS[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000171608215 323242522 /nfs/dbraw/zinc/24/25/22/323242522.db2.gz ASDVHNLTIJLDAH-GFCCVEGCSA-N 1 2 330.413 3.302 10 5 EGBELO Cc1csc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184166705 323644999 /nfs/dbraw/zinc/64/49/99/323644999.db2.gz CBUAYDGPLGNZAW-GHMZBOCLSA-N 1 2 334.401 3.038 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000157894701 455245991 /nfs/dbraw/zinc/24/59/91/455245991.db2.gz LSUQPCFNXKYQGS-BMFZPTHFSA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000157894701 455245996 /nfs/dbraw/zinc/24/59/96/455245996.db2.gz LSUQPCFNXKYQGS-BMFZPTHFSA-N 1 2 340.807 3.017 10 5 EGBELO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000158017498 455260354 /nfs/dbraw/zinc/26/03/54/455260354.db2.gz XLSWEIBFVVGEBJ-INIZCTEOSA-N 1 2 348.424 3.499 10 5 EGBELO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000158017498 455260360 /nfs/dbraw/zinc/26/03/60/455260360.db2.gz XLSWEIBFVVGEBJ-INIZCTEOSA-N 1 2 348.424 3.499 10 5 EGBELO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000007651302 453097289 /nfs/dbraw/zinc/09/72/89/453097289.db2.gz YCKXSULSUCFUCX-UHFFFAOYSA-N 1 2 337.379 3.323 10 5 EGBELO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000007651302 453097299 /nfs/dbraw/zinc/09/72/99/453097299.db2.gz YCKXSULSUCFUCX-UHFFFAOYSA-N 1 2 337.379 3.323 10 5 EGBELO COc1ccc(OC)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131510367 454260392 /nfs/dbraw/zinc/26/03/92/454260392.db2.gz WTIBJAANWABYJN-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO COc1ccc(OC)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131510367 454260399 /nfs/dbraw/zinc/26/03/99/454260399.db2.gz WTIBJAANWABYJN-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])s3)c[nH+]2)C[C@H](C)O1 ZINC000064029560 454465291 /nfs/dbraw/zinc/46/52/91/454465291.db2.gz SBMRQLXSOFQROZ-TXEJJXNPSA-N 1 2 348.428 3.277 10 5 EGBELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000162604606 454787081 /nfs/dbraw/zinc/78/70/81/454787081.db2.gz GPSPDLLJGSVHSL-SJCJKPOMSA-N 1 2 337.383 3.462 10 5 EGBELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)[nH]1 ZINC000162604834 454787278 /nfs/dbraw/zinc/78/72/78/454787278.db2.gz GPSPDLLJGSVHSL-PXAZEXFGSA-N 1 2 337.383 3.462 10 5 EGBELO Cc1cc(N(C)C[C@H]2CCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000141009115 454826398 /nfs/dbraw/zinc/82/63/98/454826398.db2.gz IDXASSPSGNYMOU-MRXNPFEDSA-N 1 2 342.399 3.366 10 5 EGBELO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000185057118 455493352 /nfs/dbraw/zinc/49/33/52/455493352.db2.gz QEHTYPRAHBKLCY-GFCCVEGCSA-N 1 2 334.401 3.039 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000183327316 455278051 /nfs/dbraw/zinc/27/80/51/455278051.db2.gz LNRNWIQZSNQINM-UHFFFAOYSA-N 1 2 349.337 3.252 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000183327316 455278057 /nfs/dbraw/zinc/27/80/57/455278057.db2.gz LNRNWIQZSNQINM-UHFFFAOYSA-N 1 2 349.337 3.252 10 5 EGBELO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000612577423 460666639 /nfs/dbraw/zinc/66/66/39/460666639.db2.gz JPMGRSLYELUJIN-UHFFFAOYSA-N 1 2 326.352 3.206 10 5 EGBELO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000612577423 460666643 /nfs/dbraw/zinc/66/66/43/460666643.db2.gz JPMGRSLYELUJIN-UHFFFAOYSA-N 1 2 326.352 3.206 10 5 EGBELO CC[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181538285 455351861 /nfs/dbraw/zinc/35/18/61/455351861.db2.gz REJWFCAUTHXMKT-AWEZNQCLSA-N 1 2 328.328 3.479 10 5 EGBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248811041 455732970 /nfs/dbraw/zinc/73/29/70/455732970.db2.gz HSHFGVXPNYYUJP-XEGUGMAKSA-N 1 2 338.791 3.022 10 5 EGBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248811041 455732972 /nfs/dbraw/zinc/73/29/72/455732972.db2.gz HSHFGVXPNYYUJP-XEGUGMAKSA-N 1 2 338.791 3.022 10 5 EGBELO CCn1cc[nH+]c1[C@@H]1CCCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000296749888 456027819 /nfs/dbraw/zinc/02/78/19/456027819.db2.gz KJVUXLWHIPXKIT-HNNXBMFYSA-N 1 2 340.387 3.419 10 5 EGBELO COc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000271057993 456115737 /nfs/dbraw/zinc/11/57/37/456115737.db2.gz BGGNGKDOMQFSEV-XHDPSFHLSA-N 1 2 334.351 3.027 10 5 EGBELO CO[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000302580764 456361967 /nfs/dbraw/zinc/36/19/67/456361967.db2.gz SZUGJSXENQYTLY-LRDDRELGSA-N 1 2 342.399 3.221 10 5 EGBELO CC(C)(C)c1cnc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601149871 460732029 /nfs/dbraw/zinc/73/20/29/460732029.db2.gz QZGKZJUTNYSCLZ-KRWDZBQOSA-N 1 2 349.456 3.346 10 5 EGBELO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1C ZINC000348487407 456712639 /nfs/dbraw/zinc/71/26/39/456712639.db2.gz BLHLMUSGJILDCI-NSHDSACASA-N 1 2 349.412 3.387 10 5 EGBELO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000353555930 456757576 /nfs/dbraw/zinc/75/75/76/456757576.db2.gz PTEVYLQBQRCOTN-OAHLLOKOSA-N 1 2 345.424 3.284 10 5 EGBELO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000353555930 456757583 /nfs/dbraw/zinc/75/75/83/456757583.db2.gz PTEVYLQBQRCOTN-OAHLLOKOSA-N 1 2 345.424 3.284 10 5 EGBELO Nc1c(F)c(NCc2cn3cc(Cl)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000348728464 456831524 /nfs/dbraw/zinc/83/15/24/456831524.db2.gz LENTVXCSHRECJO-UHFFFAOYSA-N 1 2 335.726 3.229 10 5 EGBELO O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000356591000 457072441 /nfs/dbraw/zinc/07/24/41/457072441.db2.gz KMKOVJNKOAJZSX-UHFFFAOYSA-N 1 2 333.307 3.498 10 5 EGBELO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000352717596 457554387 /nfs/dbraw/zinc/55/43/87/457554387.db2.gz BEEQSHXVDIHULO-ACJLOTCBSA-N 1 2 328.368 3.262 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000352717596 457554392 /nfs/dbraw/zinc/55/43/92/457554392.db2.gz BEEQSHXVDIHULO-ACJLOTCBSA-N 1 2 328.368 3.262 10 5 EGBELO Cn1c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nnc1C1CCC1 ZINC000429257943 458300652 /nfs/dbraw/zinc/30/06/52/458300652.db2.gz SWXFSMSJURLJNO-UHFFFAOYSA-N 1 2 329.404 3.016 10 5 EGBELO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269646 458432757 /nfs/dbraw/zinc/43/27/57/458432757.db2.gz ROORLNXHPJLDJT-PWSUYJOCSA-N 1 2 337.807 3.473 10 5 EGBELO CC1=C[C@@H](C)C[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000430269646 458432759 /nfs/dbraw/zinc/43/27/59/458432759.db2.gz ROORLNXHPJLDJT-PWSUYJOCSA-N 1 2 337.807 3.473 10 5 EGBELO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594943394 459186686 /nfs/dbraw/zinc/18/66/86/459186686.db2.gz DAWFUOCFABZILD-UHFFFAOYSA-N 1 2 348.712 3.290 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000540908249 459401524 /nfs/dbraw/zinc/40/15/24/459401524.db2.gz UMOOIVMCAZSNDI-LJQANCHMSA-N 1 2 342.395 3.351 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000540908249 459401530 /nfs/dbraw/zinc/40/15/30/459401530.db2.gz UMOOIVMCAZSNDI-LJQANCHMSA-N 1 2 342.395 3.351 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595760841 459430215 /nfs/dbraw/zinc/43/02/15/459430215.db2.gz UTOLBQRLLOLRAF-GOSISDBHSA-N 1 2 346.358 3.186 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1 ZINC000595760841 459430220 /nfs/dbraw/zinc/43/02/20/459430220.db2.gz UTOLBQRLLOLRAF-GOSISDBHSA-N 1 2 346.358 3.186 10 5 EGBELO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@](C)(C(F)F)O1 ZINC000596572643 459682417 /nfs/dbraw/zinc/68/24/17/459682417.db2.gz OFERZRJLUQMJFS-QFYYESIMSA-N 1 2 337.326 3.392 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1 ZINC000593015984 459739597 /nfs/dbraw/zinc/73/95/97/459739597.db2.gz GDIDHWQEHWQKRQ-GFCCVEGCSA-N 1 2 344.367 3.280 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1 ZINC000593015984 459739599 /nfs/dbraw/zinc/73/95/99/459739599.db2.gz GDIDHWQEHWQKRQ-GFCCVEGCSA-N 1 2 344.367 3.280 10 5 EGBELO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000597256176 459897644 /nfs/dbraw/zinc/89/76/44/459897644.db2.gz LQLRUKFMQNSZCI-JVEHBYJWSA-N 1 2 326.343 3.353 10 5 EGBELO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000597256176 459897647 /nfs/dbraw/zinc/89/76/47/459897647.db2.gz LQLRUKFMQNSZCI-JVEHBYJWSA-N 1 2 326.343 3.353 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1c2ccccc2CN(C)C1=O ZINC000598939415 460096479 /nfs/dbraw/zinc/09/64/79/460096479.db2.gz HNLLJCUAUHKJTN-ACJLOTCBSA-N 1 2 339.395 3.267 10 5 EGBELO CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599045435 460138154 /nfs/dbraw/zinc/13/81/54/460138154.db2.gz HNOLKKJIOPTYRF-JSGCOSHPSA-N 1 2 342.399 3.202 10 5 EGBELO CC(C)(C)[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1O ZINC000599064712 460147724 /nfs/dbraw/zinc/14/77/24/460147724.db2.gz GSXPWZIXVLZNMC-GOEBONIOSA-N 1 2 329.400 3.376 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@](CO)(c2ccccc2)C1 ZINC000599079358 460153872 /nfs/dbraw/zinc/15/38/72/460153872.db2.gz FEAGVVCYXCRPFG-FQEVSTJZSA-N 1 2 349.390 3.283 10 5 EGBELO O=[N+]([O-])c1c(N[C@H]([C@@H](CO)C2CC2)C2CC2)ccc2c[nH+]ccc21 ZINC000599084228 460156055 /nfs/dbraw/zinc/15/60/55/460156055.db2.gz QBKXNCSLQXRCSV-RDJZCZTQSA-N 1 2 327.384 3.352 10 5 EGBELO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000599110936 460164056 /nfs/dbraw/zinc/16/40/56/460164056.db2.gz HJNYCDNSNAIDNU-QLJPJBMISA-N 1 2 337.326 3.392 10 5 EGBELO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000599110933 460164403 /nfs/dbraw/zinc/16/44/03/460164403.db2.gz HJNYCDNSNAIDNU-HWPZZCPQSA-N 1 2 337.326 3.392 10 5 EGBELO COc1c(C)c[nH+]c(COC(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000736809824 576037116 /nfs/dbraw/zinc/03/71/16/576037116.db2.gz JCABWMAIOPDSRC-UHFFFAOYSA-N 1 2 330.340 3.281 10 5 EGBELO COc1cc(C[NH2+]Cc2cnc(Cl)s2)c([N+](=O)[O-])cc1OC ZINC000895155914 1309215447 /nfs/dbraw/zinc/21/54/47/1309215447.db2.gz OWNUYXSCBZVPIG-UHFFFAOYSA-N 1 2 343.792 3.012 10 5 EGBELO Cn1cc(C[N@H+](C)Cc2ccns2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895454414 1309345734 /nfs/dbraw/zinc/34/57/34/1309345734.db2.gz YYAWDDCLYOARTG-UHFFFAOYSA-N 1 2 343.412 3.084 10 5 EGBELO Cn1cc(C[N@@H+](C)Cc2ccns2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000895454414 1309345744 /nfs/dbraw/zinc/34/57/44/1309345744.db2.gz YYAWDDCLYOARTG-UHFFFAOYSA-N 1 2 343.412 3.084 10 5 EGBELO Cc1cc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c[nH+]c1C ZINC000895644643 1309446062 /nfs/dbraw/zinc/44/60/62/1309446062.db2.gz COUKKVCOYQADOK-UHFFFAOYSA-N 1 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ZINC001349022109 1391297494 /nfs/dbraw/zinc/29/74/94/1391297494.db2.gz NOKHSOJCBZPPSR-OAHLLOKOSA-N 1 2 345.399 3.339 10 5 EGBELO Cc1csc([C@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000092789929 218167699 /nfs/dbraw/zinc/16/76/99/218167699.db2.gz LSUQGCOXEJLCGW-OAHLLOKOSA-N 1 2 333.413 3.242 10 5 EGBELO Cc1csc([C@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000092789929 218167702 /nfs/dbraw/zinc/16/77/02/218167702.db2.gz LSUQGCOXEJLCGW-OAHLLOKOSA-N 1 2 333.413 3.242 10 5 EGBELO COc1cc(F)ccc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000115550790 152017987 /nfs/dbraw/zinc/01/79/87/152017987.db2.gz CWSRNBIXTQEANI-UHFFFAOYSA-N 1 2 345.374 3.065 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290325 152055178 /nfs/dbraw/zinc/05/51/78/152055178.db2.gz GTILQAOJABEDKB-IUODEOHRSA-N 1 2 329.356 3.352 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290325 152055184 /nfs/dbraw/zinc/05/51/84/152055184.db2.gz GTILQAOJABEDKB-IUODEOHRSA-N 1 2 329.356 3.352 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@H](C2CC2)C1 ZINC000341040677 155128081 /nfs/dbraw/zinc/12/80/81/155128081.db2.gz GLTZPJUSCCEGOK-KRWDZBQOSA-N 1 2 345.443 3.053 10 5 EGBELO Cc1ccncc1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000343681065 164011051 /nfs/dbraw/zinc/01/10/51/164011051.db2.gz QCTRETVAJVPJEI-XQRVVYSFSA-N 1 2 338.411 3.134 10 5 EGBELO CC(C)C(=O)N1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000349586183 164899987 /nfs/dbraw/zinc/89/99/87/164899987.db2.gz RLRRBAVNVUBNQO-UHFFFAOYSA-N 1 2 333.432 3.018 10 5 EGBELO Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000359868134 167253704 /nfs/dbraw/zinc/25/37/04/167253704.db2.gz CLZVBRNWLJEYED-UHFFFAOYSA-N 1 2 332.257 3.413 10 5 EGBELO COc1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000124087145 222373567 /nfs/dbraw/zinc/37/35/67/222373567.db2.gz GBUIFGHMJAJRIT-LBPRGKRZSA-N 1 2 346.362 3.076 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000278160145 267952617 /nfs/dbraw/zinc/95/26/17/267952617.db2.gz PFLDPFVTPMZLHL-LLVKDONJSA-N 1 2 348.790 3.300 10 5 EGBELO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)ccc2[nH+]1 ZINC000345754591 274824888 /nfs/dbraw/zinc/82/48/88/274824888.db2.gz ADJIAVVJVJJHBX-UHFFFAOYSA-N 1 2 347.334 3.351 10 5 EGBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cs1 ZINC000278901331 275285865 /nfs/dbraw/zinc/28/58/65/275285865.db2.gz RQAFTCJQXUAISH-GFCCVEGCSA-N 1 2 337.376 3.234 10 5 EGBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cs1 ZINC000278901331 275285867 /nfs/dbraw/zinc/28/58/67/275285867.db2.gz RQAFTCJQXUAISH-GFCCVEGCSA-N 1 2 337.376 3.234 10 5 EGBELO Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)c([N+](=O)[O-])c1 ZINC000302190076 308732604 /nfs/dbraw/zinc/73/26/04/308732604.db2.gz VJOZMCKWCVNLNQ-UHFFFAOYSA-N 1 2 346.818 3.274 10 5 EGBELO CO[C@@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000302580761 308740121 /nfs/dbraw/zinc/74/01/21/308740121.db2.gz SZUGJSXENQYTLY-BLLLJJGKSA-N 1 2 342.399 3.221 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000413206875 309021512 /nfs/dbraw/zinc/02/15/12/309021512.db2.gz QFJNFJUOTANBAO-HUUCEWRRSA-N 1 2 327.384 3.396 10 5 EGBELO Cc1cc(CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000421574578 309330334 /nfs/dbraw/zinc/33/03/34/309330334.db2.gz GRYYPDKFVJDWSZ-UHFFFAOYSA-N 1 2 333.775 3.498 10 5 EGBELO C[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000563037617 315947389 /nfs/dbraw/zinc/94/73/89/315947389.db2.gz AVVKYFIMBCYLNZ-SUMWQHHRSA-N 1 2 341.415 3.153 10 5 EGBELO C[C@@H](c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1)C1CC1 ZINC000351094636 324169283 /nfs/dbraw/zinc/16/92/83/324169283.db2.gz REJSDRYLVGYQLX-SNVBAGLBSA-N 1 2 325.328 3.344 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@H](C4CCC4)C3)co2)cc1 ZINC000411843889 324297163 /nfs/dbraw/zinc/29/71/63/324297163.db2.gz IRBXDJYXBSNZOT-KRWDZBQOSA-N 1 2 343.383 3.251 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@H](C4CCC4)C3)co2)cc1 ZINC000411843889 324297170 /nfs/dbraw/zinc/29/71/70/324297170.db2.gz IRBXDJYXBSNZOT-KRWDZBQOSA-N 1 2 343.383 3.251 10 5 EGBELO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000239352706 455260964 /nfs/dbraw/zinc/26/09/64/455260964.db2.gz ADDRCFLZZWZSMI-UHFFFAOYSA-N 1 2 349.778 3.383 10 5 EGBELO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000239352706 455260968 /nfs/dbraw/zinc/26/09/68/455260968.db2.gz ADDRCFLZZWZSMI-UHFFFAOYSA-N 1 2 349.778 3.383 10 5 EGBELO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000184221981 455363923 /nfs/dbraw/zinc/36/39/23/455363923.db2.gz AGVMPMMBHROYFF-RYUDHWBXSA-N 1 2 348.428 3.346 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000104694998 454596600 /nfs/dbraw/zinc/59/66/00/454596600.db2.gz VLDXHQCBQIQDNB-KRWDZBQOSA-N 1 2 344.415 3.453 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000104694998 454596606 /nfs/dbraw/zinc/59/66/06/454596606.db2.gz VLDXHQCBQIQDNB-KRWDZBQOSA-N 1 2 344.415 3.453 10 5 EGBELO Cc1nc(CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000105797130 454656860 /nfs/dbraw/zinc/65/68/60/454656860.db2.gz PBHRTLQALMLDDK-AWEZNQCLSA-N 1 2 344.415 3.078 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)co2)cc1 ZINC000245836568 455383780 /nfs/dbraw/zinc/38/37/80/455383780.db2.gz HDNFQEWTCWLYPY-IAGOWNOFSA-N 1 2 343.383 3.393 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)co2)cc1 ZINC000245836568 455383781 /nfs/dbraw/zinc/38/37/81/455383781.db2.gz HDNFQEWTCWLYPY-IAGOWNOFSA-N 1 2 343.383 3.393 10 5 EGBELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000161086891 455531775 /nfs/dbraw/zinc/53/17/75/455531775.db2.gz YJDIJCOVCKBUAG-ZWNOBZJWSA-N 1 2 334.401 3.119 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000247239435 455577026 /nfs/dbraw/zinc/57/70/26/455577026.db2.gz WSIOUDYIBFYOSB-ATZDWAIDSA-N 1 2 348.443 3.487 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000247239435 455577031 /nfs/dbraw/zinc/57/70/31/455577031.db2.gz WSIOUDYIBFYOSB-ATZDWAIDSA-N 1 2 348.443 3.487 10 5 EGBELO COc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000186413336 455763103 /nfs/dbraw/zinc/76/31/03/455763103.db2.gz HNTRZPIUHSYGCX-UHFFFAOYSA-N 1 2 349.387 3.196 10 5 EGBELO Cc1cc(N[C@@H]2CCCC[C@H]2O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301274310 456078573 /nfs/dbraw/zinc/07/85/73/456078573.db2.gz YITIVDFRXDAPBH-HUUCEWRRSA-N 1 2 328.372 3.076 10 5 EGBELO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000301290493 456082026 /nfs/dbraw/zinc/08/20/26/456082026.db2.gz UBTUSZJAJRWFKG-UHFFFAOYSA-N 1 2 338.820 3.175 10 5 EGBELO O=[N+]([O-])c1cnc(NCC[N@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000301290493 456082030 /nfs/dbraw/zinc/08/20/30/456082030.db2.gz UBTUSZJAJRWFKG-UHFFFAOYSA-N 1 2 338.820 3.175 10 5 EGBELO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000339008958 456898713 /nfs/dbraw/zinc/89/87/13/456898713.db2.gz DLXQRBVLPMUOMM-QGZVFWFLSA-N 1 2 344.411 3.380 10 5 EGBELO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC000339008958 456898715 /nfs/dbraw/zinc/89/87/15/456898715.db2.gz DLXQRBVLPMUOMM-QGZVFWFLSA-N 1 2 344.411 3.380 10 5 EGBELO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339014225 456901440 /nfs/dbraw/zinc/90/14/40/456901440.db2.gz RFLRYMCAEJHAPV-IBGZPJMESA-N 1 2 344.411 3.320 10 5 EGBELO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339014225 456901442 /nfs/dbraw/zinc/90/14/42/456901442.db2.gz RFLRYMCAEJHAPV-IBGZPJMESA-N 1 2 344.411 3.320 10 5 EGBELO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1noc(-c2ccccc2)n1 ZINC000352550463 457459240 /nfs/dbraw/zinc/45/92/40/457459240.db2.gz NHYUXYBSCIXZIB-UHFFFAOYSA-N 1 2 338.367 3.319 10 5 EGBELO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1noc(-c2ccccc2)n1 ZINC000352550463 457459247 /nfs/dbraw/zinc/45/92/47/457459247.db2.gz NHYUXYBSCIXZIB-UHFFFAOYSA-N 1 2 338.367 3.319 10 5 EGBELO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(F)cc1 ZINC000444674423 457935911 /nfs/dbraw/zinc/93/59/11/457935911.db2.gz KMFZTJWNYAKIBT-INIZCTEOSA-N 1 2 344.346 3.088 10 5 EGBELO Cc1c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000371906319 458116202 /nfs/dbraw/zinc/11/62/02/458116202.db2.gz SXYMEZTWNNQFNE-UHFFFAOYSA-N 1 2 329.360 3.038 10 5 EGBELO Cc1c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000371906319 458116206 /nfs/dbraw/zinc/11/62/06/458116206.db2.gz SXYMEZTWNNQFNE-UHFFFAOYSA-N 1 2 329.360 3.038 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470933327 458666299 /nfs/dbraw/zinc/66/62/99/458666299.db2.gz RGMABJPRDAWWFY-CMPLNLGQSA-N 1 2 345.321 3.114 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470933327 458666306 /nfs/dbraw/zinc/66/63/06/458666306.db2.gz RGMABJPRDAWWFY-CMPLNLGQSA-N 1 2 345.321 3.114 10 5 EGBELO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ncnn21 ZINC000594957412 459192321 /nfs/dbraw/zinc/19/23/21/459192321.db2.gz OIJJNVQTRXHBNQ-BXUZGUMPSA-N 1 2 339.355 3.242 10 5 EGBELO Cc1nc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC000595331881 459277417 /nfs/dbraw/zinc/27/74/17/459277417.db2.gz XQKUXYBPWPMXOE-UHFFFAOYSA-N 1 2 331.372 3.243 10 5 EGBELO CC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904739 459610570 /nfs/dbraw/zinc/61/05/70/459610570.db2.gz KHYRKXOBYOXIAY-JSGCOSHPSA-N 1 2 327.375 3.317 10 5 EGBELO CC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904739 459610573 /nfs/dbraw/zinc/61/05/73/459610573.db2.gz KHYRKXOBYOXIAY-JSGCOSHPSA-N 1 2 327.375 3.317 10 5 EGBELO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 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ZINC000734829396 575561707 /nfs/dbraw/zinc/56/17/07/575561707.db2.gz NRFRDSUEEUJPHN-UHFFFAOYSA-N 1 2 345.241 3.269 10 5 EGBELO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020711 1296664132 /nfs/dbraw/zinc/66/41/32/1296664132.db2.gz KMLBAQCSKPTGEF-LBPRGKRZSA-N 1 2 345.374 3.287 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001198844750 1369128676 /nfs/dbraw/zinc/12/86/76/1369128676.db2.gz SLFBEFNBADKZOQ-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001198844750 1369128678 /nfs/dbraw/zinc/12/86/78/1369128678.db2.gz SLFBEFNBADKZOQ-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO Cc1cc(NCc2cc(C)[nH+]c(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001186739705 1388002886 /nfs/dbraw/zinc/00/28/86/1388002886.db2.gz MVTJQDSOBBVOFP-UHFFFAOYSA-N 1 2 349.394 3.406 10 5 EGBELO CC1(C)CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC001126489201 1372968930 /nfs/dbraw/zinc/96/89/30/1372968930.db2.gz 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CCC[N@H+](CCNC(=O)c1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001317539633 1385274946 /nfs/dbraw/zinc/27/49/46/1385274946.db2.gz YAGTVPXCROOOMZ-UHFFFAOYSA-N 1 2 347.440 3.298 10 5 EGBELO CCC[N@@H+](CCNC(=O)c1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC001317539633 1385274951 /nfs/dbraw/zinc/27/49/51/1385274951.db2.gz YAGTVPXCROOOMZ-UHFFFAOYSA-N 1 2 347.440 3.298 10 5 EGBELO CCC[N@H+](CCNC(=O)C=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317541941 1385280995 /nfs/dbraw/zinc/28/09/95/1385280995.db2.gz IEEBKXGSRVJTLY-UHFFFAOYSA-N 1 2 337.445 3.095 10 5 EGBELO CCC[N@@H+](CCNC(=O)C=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317541941 1385280996 /nfs/dbraw/zinc/28/09/96/1385280996.db2.gz IEEBKXGSRVJTLY-UHFFFAOYSA-N 1 2 337.445 3.095 10 5 EGBELO O=C(Nc1cccnc1C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001180184648 1386724314 /nfs/dbraw/zinc/72/43/14/1386724314.db2.gz QZEQNQBOMGZJRF-UHFFFAOYSA-N 1 2 349.350 3.305 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H]1CCC3(CCCCC3)O1)CC2 ZINC000408259182 169167686 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3.351 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432177591 309654251 /nfs/dbraw/zinc/65/42/51/309654251.db2.gz QGOZHWBKBMCYHH-UHFFFAOYSA-N 1 2 332.791 3.278 10 5 EGBELO CCC(CC)[C@H]1C[C@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000447671397 309985439 /nfs/dbraw/zinc/98/54/39/309985439.db2.gz MMRWQRXCDQACJK-MLGOLLRUSA-N 1 2 332.404 3.289 10 5 EGBELO CC(=O)c1ccccc1OCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535246357 314034184 /nfs/dbraw/zinc/03/41/84/314034184.db2.gz JBLOBHSGOAYROF-UHFFFAOYSA-N 1 2 340.379 3.235 10 5 EGBELO CC(=O)c1ccccc1OCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535246357 314034187 /nfs/dbraw/zinc/03/41/87/314034187.db2.gz JBLOBHSGOAYROF-UHFFFAOYSA-N 1 2 340.379 3.235 10 5 EGBELO Cc1csc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184166672 455358103 /nfs/dbraw/zinc/35/81/03/455358103.db2.gz CBUAYDGPLGNZAW-WDEREUQCSA-N 1 2 334.401 3.038 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000053323512 453871004 /nfs/dbraw/zinc/87/10/04/453871004.db2.gz QVSBQVVNNHCPDA-ZDUSSCGKSA-N 1 2 345.424 3.175 10 5 EGBELO COC(=O)c1ccc([C@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000089267220 454131925 /nfs/dbraw/zinc/13/19/25/454131925.db2.gz RSMVJNOJEBADPN-NSHDSACASA-N 1 2 330.340 3.094 10 5 EGBELO COC(=O)c1ccc([C@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000089267220 454131926 /nfs/dbraw/zinc/13/19/26/454131926.db2.gz RSMVJNOJEBADPN-NSHDSACASA-N 1 2 330.340 3.094 10 5 EGBELO COc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000134050744 454497901 /nfs/dbraw/zinc/49/79/01/454497901.db2.gz RXKDIKYVVDJSSE-NHYWBVRUSA-N 1 2 334.351 3.027 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000093683947 454728892 /nfs/dbraw/zinc/72/88/92/454728892.db2.gz UFGZCJAERKCABT-INIZCTEOSA-N 1 2 342.395 3.339 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000093683947 454728894 /nfs/dbraw/zinc/72/88/94/454728894.db2.gz UFGZCJAERKCABT-INIZCTEOSA-N 1 2 342.395 3.339 10 5 EGBELO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000125006433 454790033 /nfs/dbraw/zinc/79/00/33/454790033.db2.gz GAIZULGNWOXVLM-XHDPSFHLSA-N 1 2 348.790 3.168 10 5 EGBELO O=[N+]([O-])c1cc(Cl)cnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000153586241 454809210 /nfs/dbraw/zinc/80/92/10/454809210.db2.gz PYNRYHYLNIJCEH-UHFFFAOYSA-N 1 2 333.779 3.119 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000126155299 454874677 /nfs/dbraw/zinc/87/46/77/454874677.db2.gz IDZLEOSIVSHUPJ-MRXNPFEDSA-N 1 2 334.397 3.109 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000126155299 454874679 /nfs/dbraw/zinc/87/46/79/454874679.db2.gz IDZLEOSIVSHUPJ-MRXNPFEDSA-N 1 2 334.397 3.109 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)co2)cc1 ZINC000245836575 455384177 /nfs/dbraw/zinc/38/41/77/455384177.db2.gz HDNFQEWTCWLYPY-SJORKVTESA-N 1 2 343.383 3.393 10 5 EGBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)co2)cc1 ZINC000245836575 455384179 /nfs/dbraw/zinc/38/41/79/455384179.db2.gz HDNFQEWTCWLYPY-SJORKVTESA-N 1 2 343.383 3.393 10 5 EGBELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000161124602 455537484 /nfs/dbraw/zinc/53/74/84/455537484.db2.gz IRPFSHWRSZVQDR-GHMZBOCLSA-N 1 2 334.401 3.119 10 5 EGBELO COc1cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c([N+](=O)[O-])cc1F ZINC000281369397 456216175 /nfs/dbraw/zinc/21/61/75/456216175.db2.gz LOZVAHQITWVDGH-OAHLLOKOSA-N 1 2 348.378 3.203 10 5 EGBELO COc1cc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)c([N+](=O)[O-])cc1F ZINC000281369397 456216180 /nfs/dbraw/zinc/21/61/80/456216180.db2.gz LOZVAHQITWVDGH-OAHLLOKOSA-N 1 2 348.378 3.203 10 5 EGBELO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000263862885 456247793 /nfs/dbraw/zinc/24/77/93/456247793.db2.gz ABUAOTBGSSTREO-UHFFFAOYSA-N 1 2 332.429 3.072 10 5 EGBELO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000263862885 456247796 /nfs/dbraw/zinc/24/77/96/456247796.db2.gz ABUAOTBGSSTREO-UHFFFAOYSA-N 1 2 332.429 3.072 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cccc(OC(F)F)c1)CC2 ZINC000347785690 456366779 /nfs/dbraw/zinc/36/67/79/456366779.db2.gz NXHQADYFWNABEB-UHFFFAOYSA-N 1 2 335.310 3.150 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cccc(OC(F)F)c1)CC2 ZINC000347785690 456366785 /nfs/dbraw/zinc/36/67/85/456366785.db2.gz NXHQADYFWNABEB-UHFFFAOYSA-N 1 2 335.310 3.150 10 5 EGBELO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000299306713 456653449 /nfs/dbraw/zinc/65/34/49/456653449.db2.gz BSSBVKYFIFCJIW-UHFFFAOYSA-N 1 2 349.412 3.257 10 5 EGBELO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000339624515 457179410 /nfs/dbraw/zinc/17/94/10/457179410.db2.gz WPGJXYQJKZDXMA-UHFFFAOYSA-N 1 2 330.409 3.460 10 5 EGBELO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC000339624515 457179413 /nfs/dbraw/zinc/17/94/13/457179413.db2.gz WPGJXYQJKZDXMA-UHFFFAOYSA-N 1 2 330.409 3.460 10 5 EGBELO Cc1cn2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000346843200 457182821 /nfs/dbraw/zinc/18/28/21/457182821.db2.gz WNTNNYCBVCUISU-UHFFFAOYSA-N 1 2 330.731 3.457 10 5 EGBELO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1F ZINC000342688983 457457859 /nfs/dbraw/zinc/45/78/59/457457859.db2.gz HSLLPJRNAMQZGO-HNNXBMFYSA-N 1 2 327.319 3.064 10 5 EGBELO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000374182281 457511354 /nfs/dbraw/zinc/51/13/54/457511354.db2.gz HTAARPCBWHDEBI-OAHLLOKOSA-N 1 2 330.388 3.064 10 5 EGBELO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000374182281 457511365 /nfs/dbraw/zinc/51/13/65/457511365.db2.gz HTAARPCBWHDEBI-OAHLLOKOSA-N 1 2 330.388 3.064 10 5 EGBELO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2nnc3n2CCC3)c2ccccc2)c1 ZINC000352700274 457540970 /nfs/dbraw/zinc/54/09/70/457540970.db2.gz BLFAYXVWLANNMZ-IBGZPJMESA-N 1 2 349.394 3.012 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1cccc(Cl)c1)CC2 ZINC000411484878 457900916 /nfs/dbraw/zinc/90/09/16/457900916.db2.gz ZJWSNSBCUIYAQC-UHFFFAOYSA-N 1 2 333.775 3.080 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1cccc(Cl)c1)CC2 ZINC000411484878 457900921 /nfs/dbraw/zinc/90/09/21/457900921.db2.gz ZJWSNSBCUIYAQC-UHFFFAOYSA-N 1 2 333.775 3.080 10 5 EGBELO CCOc1cc(C[N@H+](C)[C@@H](CC(C)C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000429128725 458276871 /nfs/dbraw/zinc/27/68/71/458276871.db2.gz PQLMYLVLCOYCKN-HNNXBMFYSA-N 1 2 338.404 3.013 10 5 EGBELO CCOc1cc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000429128725 458276876 /nfs/dbraw/zinc/27/68/76/458276876.db2.gz PQLMYLVLCOYCKN-HNNXBMFYSA-N 1 2 338.404 3.013 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000369615129 458289581 /nfs/dbraw/zinc/28/95/81/458289581.db2.gz JQJPIXQZNWNQBW-INIZCTEOSA-N 1 2 330.388 3.064 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000369615129 458289585 /nfs/dbraw/zinc/28/95/85/458289585.db2.gz JQJPIXQZNWNQBW-INIZCTEOSA-N 1 2 330.388 3.064 10 5 EGBELO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373813651 458611506 /nfs/dbraw/zinc/61/15/06/458611506.db2.gz UWUDBSMCVHJSMG-ZBFHGGJFSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373813651 458611513 /nfs/dbraw/zinc/61/15/13/458611513.db2.gz UWUDBSMCVHJSMG-ZBFHGGJFSA-N 1 2 340.807 3.018 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470955506 458668969 /nfs/dbraw/zinc/66/89/69/458668969.db2.gz LWMQWSWZOXYRKE-WDEREUQCSA-N 1 2 345.321 3.114 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470955506 458668974 /nfs/dbraw/zinc/66/89/74/458668974.db2.gz LWMQWSWZOXYRKE-WDEREUQCSA-N 1 2 345.321 3.114 10 5 EGBELO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c2ncnn21 ZINC000594956647 459192029 /nfs/dbraw/zinc/19/20/29/459192029.db2.gz KJZGQLLCSBGQNK-NHYWBVRUSA-N 1 2 339.355 3.242 10 5 EGBELO C[C@@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000559349944 459254405 /nfs/dbraw/zinc/25/44/05/459254405.db2.gz VLEIGEYUROQPTI-RKDXNWHRSA-N 1 2 346.168 3.040 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000559349944 459254409 /nfs/dbraw/zinc/25/44/09/459254409.db2.gz VLEIGEYUROQPTI-RKDXNWHRSA-N 1 2 346.168 3.040 10 5 EGBELO CC[C@](C)(C(=O)OC)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595551172 459343665 /nfs/dbraw/zinc/34/36/65/459343665.db2.gz WCJJDNXMQUMRRP-QGZVFWFLSA-N 1 2 338.379 3.288 10 5 EGBELO CC[C@](C)(C(=O)OC)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595551172 459343674 /nfs/dbraw/zinc/34/36/74/459343674.db2.gz WCJJDNXMQUMRRP-QGZVFWFLSA-N 1 2 338.379 3.288 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000483444597 459371243 /nfs/dbraw/zinc/37/12/43/459371243.db2.gz VYUNJMOSBKWHPN-LJQANCHMSA-N 1 2 342.395 3.183 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000483444597 459371246 /nfs/dbraw/zinc/37/12/46/459371246.db2.gz VYUNJMOSBKWHPN-LJQANCHMSA-N 1 2 342.395 3.183 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484563900 459419733 /nfs/dbraw/zinc/41/97/33/459419733.db2.gz FBMWTHMBPIEVLZ-KXBFYZLASA-N 1 2 342.395 3.436 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000484563900 459419736 /nfs/dbraw/zinc/41/97/36/459419736.db2.gz FBMWTHMBPIEVLZ-KXBFYZLASA-N 1 2 342.395 3.436 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576897 459670572 /nfs/dbraw/zinc/67/05/72/459670572.db2.gz NDHOEOOQKPIFBS-GOSISDBHSA-N 1 2 334.416 3.385 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000543576897 459670578 /nfs/dbraw/zinc/67/05/78/459670578.db2.gz NDHOEOOQKPIFBS-GOSISDBHSA-N 1 2 334.416 3.385 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1 ZINC000593015985 459739800 /nfs/dbraw/zinc/73/98/00/459739800.db2.gz GDIDHWQEHWQKRQ-LBPRGKRZSA-N 1 2 344.367 3.280 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1 ZINC000593015985 459739805 /nfs/dbraw/zinc/73/98/05/459739805.db2.gz GDIDHWQEHWQKRQ-LBPRGKRZSA-N 1 2 344.367 3.280 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000597631109 460012810 /nfs/dbraw/zinc/01/28/10/460012810.db2.gz HZYPKKRTJJUXLP-LBPRGKRZSA-N 1 2 342.399 3.290 10 5 EGBELO O=[N+]([O-])c1ccccc1C=CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000614247727 460066294 /nfs/dbraw/zinc/06/62/94/460066294.db2.gz LNDNDCXNPLZGKM-XBMZPMPPSA-N 1 2 335.367 3.105 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccn2)C(C)C)c1 ZINC000589497361 460095236 /nfs/dbraw/zinc/09/52/36/460095236.db2.gz PVHPIGXGXXATJS-UHFFFAOYSA-N 1 2 343.383 3.187 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccn2)C(C)C)c1 ZINC000589497361 460095240 /nfs/dbraw/zinc/09/52/40/460095240.db2.gz PVHPIGXGXXATJS-UHFFFAOYSA-N 1 2 343.383 3.187 10 5 EGBELO CN(CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])CC(F)(F)F ZINC000599019888 460128442 /nfs/dbraw/zinc/12/84/42/460128442.db2.gz NYGSMOHPMZDASQ-UHFFFAOYSA-N 1 2 342.321 3.439 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000599083836 460155173 /nfs/dbraw/zinc/15/51/73/460155173.db2.gz YANKPLGHFDMGJC-ZDUSSCGKSA-N 1 2 343.774 3.444 10 5 EGBELO Cc1cc[nH+]c([C@H]2CCN(c3ncnc4sc([N+](=O)[O-])cc43)C2)c1 ZINC000599099677 460162224 /nfs/dbraw/zinc/16/22/24/460162224.db2.gz JDEAPZHZSSUDSZ-NSHDSACASA-N 1 2 341.396 3.297 10 5 EGBELO CCn1cc([C@@H]2CSCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000618901193 460214685 /nfs/dbraw/zinc/21/46/85/460214685.db2.gz ONEFTKDVZWCYAU-KRWDZBQOSA-N 1 2 346.456 3.410 10 5 EGBELO CCn1cc([C@@H]2CSCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000618901193 460214693 /nfs/dbraw/zinc/21/46/93/460214693.db2.gz ONEFTKDVZWCYAU-KRWDZBQOSA-N 1 2 346.456 3.410 10 5 EGBELO Cc1cc(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)cc(C)[nH+]1 ZINC000601641066 460855054 /nfs/dbraw/zinc/85/50/54/460855054.db2.gz NEGMDEAMFPZODL-UHFFFAOYSA-N 1 2 339.395 3.345 10 5 EGBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001290587352 1382098374 /nfs/dbraw/zinc/09/83/74/1382098374.db2.gz MHJBWXYHNPEACC-UHFFFAOYSA-N 1 2 340.314 3.480 10 5 EGBELO CN(CCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001162792024 1382874622 /nfs/dbraw/zinc/87/46/22/1382874622.db2.gz KESRRBVBOLNSQK-UHFFFAOYSA-N 1 2 328.294 3.337 10 5 EGBELO Cc1cc(Cl)c(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC001304055314 1383826202 /nfs/dbraw/zinc/82/62/02/1383826202.db2.gz AHVYGLVMHAIYFZ-UHFFFAOYSA-N 1 2 348.790 3.089 10 5 EGBELO C/C=C(/C)C(=O)N(C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001690020789 1404260863 /nfs/dbraw/zinc/26/08/63/1404260863.db2.gz WQMHFJRBNKJTTC-QCDXTXTGSA-N 1 2 337.445 3.045 10 5 EGBELO CC/C(C)=C\C(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001734624482 1438190507 /nfs/dbraw/zinc/19/05/07/1438190507.db2.gz WRRJRKVAGVNHCY-JYRVWZFOSA-N 1 2 349.456 3.261 10 5 EGBELO CC/C(C)=C\C(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001734624482 1438190509 /nfs/dbraw/zinc/19/05/09/1438190509.db2.gz WRRJRKVAGVNHCY-JYRVWZFOSA-N 1 2 349.456 3.261 10 5 EGBELO O=[N+]([O-])c1c(Nc2cccc3ccccc32)ncnc1-n1cc[nH+]c1 ZINC000040627441 213361061 /nfs/dbraw/zinc/36/10/61/213361061.db2.gz MLAPNBGIRWIQOF-UHFFFAOYSA-N 1 2 332.323 3.467 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000187656352 236270008 /nfs/dbraw/zinc/27/00/08/236270008.db2.gz WQGILXVWYZRALA-UHFFFAOYSA-N 1 2 330.306 3.247 10 5 EGBELO CC(C)[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000352964588 141278961 /nfs/dbraw/zinc/27/89/61/141278961.db2.gz ZEJFYKXAMYJFPR-INIZCTEOSA-N 1 2 343.362 3.264 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000114490838 162237413 /nfs/dbraw/zinc/23/74/13/162237413.db2.gz RMGUBKTYMVDUSD-LLVKDONJSA-N 1 2 349.328 3.174 10 5 EGBELO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCCC3)c2)cn1 ZINC000344424662 164176012 /nfs/dbraw/zinc/17/60/12/164176012.db2.gz UZFBXKJTCKRCRE-UHFFFAOYSA-N 1 2 327.388 3.377 10 5 EGBELO COc1cc(COc2cccc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000351911777 165147140 /nfs/dbraw/zinc/14/71/40/165147140.db2.gz AVCAQVDWHPLURP-UHFFFAOYSA-N 1 2 325.324 3.368 10 5 EGBELO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000366275229 168101345 /nfs/dbraw/zinc/10/13/45/168101345.db2.gz WBMSDUWXCSLPIT-GOEBONIOSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000366275229 168101346 /nfs/dbraw/zinc/10/13/46/168101346.db2.gz WBMSDUWXCSLPIT-GOEBONIOSA-N 1 2 340.807 3.018 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000366642313 168127078 /nfs/dbraw/zinc/12/70/78/168127078.db2.gz PQRUVFQNSWYAAT-HNNXBMFYSA-N 1 2 334.397 3.238 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000366642313 168127080 /nfs/dbraw/zinc/12/70/80/168127080.db2.gz PQRUVFQNSWYAAT-HNNXBMFYSA-N 1 2 334.397 3.238 10 5 EGBELO C[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000295001157 308280495 /nfs/dbraw/zinc/28/04/95/308280495.db2.gz BXYINWMJIOBUSI-NHYWBVRUSA-N 1 2 348.790 3.168 10 5 EGBELO Cc1cc(N(C)C[C@H]2CCCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301078013 308687329 /nfs/dbraw/zinc/68/73/29/308687329.db2.gz JDTUFIAHIABQLT-MRXNPFEDSA-N 1 2 342.399 3.366 10 5 EGBELO Cc1cc(NC[C@H](O)C2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301291441 308695222 /nfs/dbraw/zinc/69/52/22/308695222.db2.gz PIVWRTUBTXUEOQ-INIZCTEOSA-N 1 2 342.399 3.323 10 5 EGBELO C[C@@H]1CN(c2ccc(CNc3sccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000302003238 308724873 /nfs/dbraw/zinc/72/48/73/308724873.db2.gz TUITWFAYLPZARU-VXGBXAGGSA-N 1 2 348.428 3.277 10 5 EGBELO Cc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)sc1Br ZINC000449399954 310058941 /nfs/dbraw/zinc/05/89/41/310058941.db2.gz FYTKKSTVUWUJKC-UHFFFAOYSA-N 1 2 342.218 3.412 10 5 EGBELO CCCc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000449614999 310075400 /nfs/dbraw/zinc/07/54/00/310075400.db2.gz XPZSLVZBVXGSKL-UHFFFAOYSA-N 1 2 341.314 3.427 10 5 EGBELO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1(C)CCCC1 ZINC000451507166 310181761 /nfs/dbraw/zinc/18/17/61/310181761.db2.gz SURUMASGTIAGRX-UHFFFAOYSA-N 1 2 328.372 3.185 10 5 EGBELO C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000488076157 311050367 /nfs/dbraw/zinc/05/03/67/311050367.db2.gz DTAHQBWTPWWTBW-CXAGYDPISA-N 1 2 337.383 3.427 10 5 EGBELO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1csc([N+](=O)[O-])c1 ZINC000552228552 315207795 /nfs/dbraw/zinc/20/77/95/315207795.db2.gz CAQKASAYTUOVJA-JOCQHMNTSA-N 1 2 346.412 3.204 10 5 EGBELO COc1cccc([N+](=O)[O-])c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000563423755 316019358 /nfs/dbraw/zinc/01/93/58/316019358.db2.gz IZTHFKDAYZXXOG-UHFFFAOYSA-N 1 2 344.415 3.497 10 5 EGBELO O=C(NC[C@@H]1CCCC12CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600803490 460609830 /nfs/dbraw/zinc/60/98/30/460609830.db2.gz JUPIOJRGWLQYLZ-AWEZNQCLSA-N 1 2 340.383 3.091 10 5 EGBELO C[C@H](c1nccs1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184590284 455409307 /nfs/dbraw/zinc/40/93/07/455409307.db2.gz VVBMOBKPWGVPJZ-UONOGXRCSA-N 1 2 346.456 3.491 10 5 EGBELO Cc1ccnc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000091629024 454452991 /nfs/dbraw/zinc/45/29/91/454452991.db2.gz JOLLHRWSLFTPQJ-CQSZACIVSA-N 1 2 344.390 3.321 10 5 EGBELO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)c[nH+]2)C[C@H](C)O1 ZINC000052218632 454663354 /nfs/dbraw/zinc/66/33/54/454663354.db2.gz GOEQZVWEMSMONF-OKILXGFUSA-N 1 2 342.399 3.216 10 5 EGBELO C[C@@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182178083 455453658 /nfs/dbraw/zinc/45/36/58/455453658.db2.gz BSIWEYZXDWTYKM-AWEZNQCLSA-N 1 2 348.424 3.062 10 5 EGBELO C[C@@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182178083 455453662 /nfs/dbraw/zinc/45/36/62/455453662.db2.gz BSIWEYZXDWTYKM-AWEZNQCLSA-N 1 2 348.424 3.062 10 5 EGBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191184894 455460038 /nfs/dbraw/zinc/46/00/38/455460038.db2.gz HSHFGVXPNYYUJP-DGFSRKRXSA-N 1 2 338.791 3.022 10 5 EGBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191184894 455460041 /nfs/dbraw/zinc/46/00/41/455460041.db2.gz HSHFGVXPNYYUJP-DGFSRKRXSA-N 1 2 338.791 3.022 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000182364179 455498390 /nfs/dbraw/zinc/49/83/90/455498390.db2.gz FZDBRPDBYOFNFV-FVQBIDKESA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000182364179 455498391 /nfs/dbraw/zinc/49/83/91/455498391.db2.gz FZDBRPDBYOFNFV-FVQBIDKESA-N 1 2 340.807 3.017 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247573809 455626742 /nfs/dbraw/zinc/62/67/42/455626742.db2.gz XDMDHIDZTMYUIJ-WFASDCNBSA-N 1 2 329.356 3.352 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]1c1ccco1 ZINC000247573809 455626747 /nfs/dbraw/zinc/62/67/47/455626747.db2.gz XDMDHIDZTMYUIJ-WFASDCNBSA-N 1 2 329.356 3.352 10 5 EGBELO COc1c(O)cccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000272272445 455897547 /nfs/dbraw/zinc/89/75/47/455897547.db2.gz LQTRRLYYQNRGCD-UHFFFAOYSA-N 1 2 328.368 3.474 10 5 EGBELO COc1c(O)cccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000272272445 455897548 /nfs/dbraw/zinc/89/75/48/455897548.db2.gz LQTRRLYYQNRGCD-UHFFFAOYSA-N 1 2 328.368 3.474 10 5 EGBELO CC1(C)C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280307004 455942346 /nfs/dbraw/zinc/94/23/46/455942346.db2.gz PFWSECDHQASZHI-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280307004 455942353 /nfs/dbraw/zinc/94/23/53/455942353.db2.gz PFWSECDHQASZHI-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO CO[C@@H]1CC[C@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000302737286 456386985 /nfs/dbraw/zinc/38/69/85/456386985.db2.gz BMWHLOKRUUXTLH-DZGCQCFKSA-N 1 2 328.372 3.340 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000340518681 456505797 /nfs/dbraw/zinc/50/57/97/456505797.db2.gz QRJADXFETPYGRL-UHFFFAOYSA-N 1 2 346.818 3.274 10 5 EGBELO Cc1cc(NCc2c[nH+]cn2C)c(Br)cc1[N+](=O)[O-] ZINC000291098913 456527597 /nfs/dbraw/zinc/52/75/97/456527597.db2.gz KHMYJINTVCGULQ-UHFFFAOYSA-N 1 2 325.166 3.011 10 5 EGBELO Cc1n[nH]c(C)c1CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301225147 456826668 /nfs/dbraw/zinc/82/66/68/456826668.db2.gz FRHZYTKCIYBWIT-UHFFFAOYSA-N 1 2 338.371 3.312 10 5 EGBELO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000301234136 456829420 /nfs/dbraw/zinc/82/94/20/456829420.db2.gz GVVLDLCRSWHSGV-LBPRGKRZSA-N 1 2 348.353 3.345 10 5 EGBELO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000301234136 456829429 /nfs/dbraw/zinc/82/94/29/456829429.db2.gz GVVLDLCRSWHSGV-LBPRGKRZSA-N 1 2 348.353 3.345 10 5 EGBELO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000356603176 457079491 /nfs/dbraw/zinc/07/94/91/457079491.db2.gz QSHVLJCGYVBSQL-UHFFFAOYSA-N 1 2 348.322 3.201 10 5 EGBELO Cn1c[nH+]cc1CCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000356739268 457143349 /nfs/dbraw/zinc/14/33/49/457143349.db2.gz ROWSIRLMRUIOHX-UHFFFAOYSA-N 1 2 330.388 3.197 10 5 EGBELO CCOc1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339771677 457260780 /nfs/dbraw/zinc/26/07/80/457260780.db2.gz KUNWXJPRPFOTCA-INIZCTEOSA-N 1 2 334.416 3.385 10 5 EGBELO CCOc1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339771677 457260784 /nfs/dbraw/zinc/26/07/84/457260784.db2.gz KUNWXJPRPFOTCA-INIZCTEOSA-N 1 2 334.416 3.385 10 5 EGBELO Cc1cccc(C)c1OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411474655 457897192 /nfs/dbraw/zinc/89/71/92/457897192.db2.gz CNTSWNJPDGLVNO-UHFFFAOYSA-N 1 2 327.384 3.044 10 5 EGBELO Cc1cccc(C)c1OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000411474655 457897198 /nfs/dbraw/zinc/89/71/98/457897198.db2.gz CNTSWNJPDGLVNO-UHFFFAOYSA-N 1 2 327.384 3.044 10 5 EGBELO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)[C@@H](C)O1 ZINC000446074917 458140823 /nfs/dbraw/zinc/14/08/23/458140823.db2.gz ZUWSDRNCDIBLTF-JHJVBQTASA-N 1 2 331.372 3.248 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)[C@@H](C)O1 ZINC000446074917 458140829 /nfs/dbraw/zinc/14/08/29/458140829.db2.gz ZUWSDRNCDIBLTF-JHJVBQTASA-N 1 2 331.372 3.248 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438304841 458560130 /nfs/dbraw/zinc/56/01/30/458560130.db2.gz VZRIQHHMPJYOEV-UHFFFAOYSA-N 1 2 338.367 3.460 10 5 EGBELO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000378081274 458624849 /nfs/dbraw/zinc/62/48/49/458624849.db2.gz XRCHGHZFJDFXTJ-UHFFFAOYSA-N 1 2 346.412 3.060 10 5 EGBELO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378081274 458624855 /nfs/dbraw/zinc/62/48/55/458624855.db2.gz 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1328646206 /nfs/dbraw/zinc/64/62/06/1328646206.db2.gz AICBXYKILCCLCI-ZDUSSCGKSA-N 1 2 346.412 3.167 10 5 EGBELO CC(C)C[C@@H](C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000928246576 1328254066 /nfs/dbraw/zinc/25/40/66/1328254066.db2.gz HXLFDUVBBSCIAV-CJNGLKHVSA-N 1 2 330.388 3.256 10 5 EGBELO CC1(C)C(C)(C)C1(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001134787308 1376721039 /nfs/dbraw/zinc/72/10/39/1376721039.db2.gz XKCTYRASNNBXPS-UHFFFAOYSA-N 1 2 342.399 3.335 10 5 EGBELO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001353186148 1391953656 /nfs/dbraw/zinc/95/36/56/1391953656.db2.gz UZHZFWMECXWBTG-UHFFFAOYSA-N 1 2 348.790 3.066 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@@H](O)c2cc(F)ccc2F)c1 ZINC000049998698 214040262 /nfs/dbraw/zinc/04/02/62/214040262.db2.gz BVKIRNFNFXJWEV-MRXNPFEDSA-N 1 2 345.305 3.470 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000080912135 217339651 /nfs/dbraw/zinc/33/96/51/217339651.db2.gz MEDUPRFSNQEBKO-NSHDSACASA-N 1 2 348.790 3.102 10 5 EGBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000080912135 217339653 /nfs/dbraw/zinc/33/96/53/217339653.db2.gz MEDUPRFSNQEBKO-NSHDSACASA-N 1 2 348.790 3.102 10 5 EGBELO CC(C)(C)C(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000356811521 141346534 /nfs/dbraw/zinc/34/65/34/141346534.db2.gz HIRYFOHHSWJJSV-UHFFFAOYSA-N 1 2 330.388 3.335 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000130788120 162379349 /nfs/dbraw/zinc/37/93/49/162379349.db2.gz CSXBTOLYECDHSS-UHFFFAOYSA-N 1 2 336.779 3.031 10 5 EGBELO COc1c(C)c[nH+]c(CN(C)c2nc(C)cc(C)c2[N+](=O)[O-])c1C ZINC000359108784 167069293 /nfs/dbraw/zinc/06/92/93/167069293.db2.gz MQKVLLWLRFGVND-UHFFFAOYSA-N 1 2 330.388 3.263 10 5 EGBELO C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000295001151 308280290 /nfs/dbraw/zinc/28/02/90/308280290.db2.gz BXYINWMJIOBUSI-IAQYHMDHSA-N 1 2 348.790 3.168 10 5 EGBELO COc1cc(NCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])cc1F ZINC000301620656 308707864 /nfs/dbraw/zinc/70/78/64/308707864.db2.gz MSSMKIDIOCZNJG-UHFFFAOYSA-N 1 2 330.319 3.311 10 5 EGBELO Cn1nc2c(c1CNc1[nH+]ccc3ccc([N+](=O)[O-])cc31)CCCC2 ZINC000413317861 309026652 /nfs/dbraw/zinc/02/66/52/309026652.db2.gz ZLQHGKPAGGYDRX-UHFFFAOYSA-N 1 2 337.383 3.367 10 5 EGBELO COc1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000424192483 309432442 /nfs/dbraw/zinc/43/24/42/309432442.db2.gz IZDJNUVPFYWQGI-ROUUACIJSA-N 1 2 346.358 3.339 10 5 EGBELO CC[C@H](NC(=O)N[C@H](C)c1[nH+]ccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000455476219 310362560 /nfs/dbraw/zinc/36/25/60/310362560.db2.gz SPGHKFVNIMADSZ-DOMZBBRYSA-N 1 2 345.403 3.323 10 5 EGBELO C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000488076162 311050342 /nfs/dbraw/zinc/05/03/42/311050342.db2.gz DTAHQBWTPWWTBW-GUYCJALGSA-N 1 2 337.383 3.427 10 5 EGBELO O=[N+]([O-])c1cnc2ccccc2c1NCCCCNc1cccc[nH+]1 ZINC000488092796 311051141 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331.347 3.113 10 5 EGBELO Cc1c(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000051531276 454627888 /nfs/dbraw/zinc/62/78/88/454627888.db2.gz NKPRZLXRDHDVQK-UHFFFAOYSA-N 1 2 331.347 3.113 10 5 EGBELO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000166093423 454907481 /nfs/dbraw/zinc/90/74/81/454907481.db2.gz PXEINGJXEPAHFW-QGZVFWFLSA-N 1 2 343.383 3.322 10 5 EGBELO Cc1c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000127382970 454959430 /nfs/dbraw/zinc/95/94/30/454959430.db2.gz DTJSSHUOCMDULY-LRDDRELGSA-N 1 2 343.387 3.215 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000157534311 455204928 /nfs/dbraw/zinc/20/49/28/455204928.db2.gz YBNKOEFHHACCJZ-HNNXBMFYSA-N 1 2 334.397 3.109 10 5 EGBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000157534311 455204934 /nfs/dbraw/zinc/20/49/34/455204934.db2.gz YBNKOEFHHACCJZ-HNNXBMFYSA-N 1 2 334.397 3.109 10 5 EGBELO CC[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000181538304 455352079 /nfs/dbraw/zinc/35/20/79/455352079.db2.gz REJWFCAUTHXMKT-CQSZACIVSA-N 1 2 328.328 3.479 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000186415149 455762780 /nfs/dbraw/zinc/76/27/80/455762780.db2.gz XNNWBTZIPWVPOP-UHFFFAOYSA-N 1 2 333.388 3.496 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(F)ccc1OC ZINC000189203358 456253432 /nfs/dbraw/zinc/25/34/32/456253432.db2.gz KQRXRAKYKXZWGL-UHFFFAOYSA-N 1 2 334.347 3.431 10 5 EGBELO Cn1c(CCCNc2cc(CO)ccc2[N+](=O)[O-])[nH+]c2ccccc21 ZINC000302027738 456271831 /nfs/dbraw/zinc/27/18/31/456271831.db2.gz ITEJUJJZGYZRGC-UHFFFAOYSA-N 1 2 340.383 3.019 10 5 EGBELO Cc1nc(N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)ccc1[N+](=O)[O-] ZINC000275790469 456314420 /nfs/dbraw/zinc/31/44/20/456314420.db2.gz ZGBGOSGKQKVJTM-INIZCTEOSA-N 1 2 341.415 3.252 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000276506738 456500909 /nfs/dbraw/zinc/50/09/09/456500909.db2.gz APDKKFXFBKTPFE-UHFFFAOYSA-N 1 2 348.790 3.230 10 5 EGBELO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCN1CC(F)F ZINC000354081067 457049057 /nfs/dbraw/zinc/04/90/57/457049057.db2.gz DXONYWRBBQBKRQ-CQSZACIVSA-N 1 2 327.375 3.065 10 5 EGBELO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCN1CC(F)F ZINC000354081067 457049063 /nfs/dbraw/zinc/04/90/63/457049063.db2.gz DXONYWRBBQBKRQ-CQSZACIVSA-N 1 2 327.375 3.065 10 5 EGBELO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2nnc3n2CCC3)c2ccccc2)c1 ZINC000352700275 457541065 /nfs/dbraw/zinc/54/10/65/457541065.db2.gz BLFAYXVWLANNMZ-LJQANCHMSA-N 1 2 349.394 3.012 10 5 EGBELO Cc1cn2c([nH+]1)CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)CC2 ZINC000371678085 458029211 /nfs/dbraw/zinc/02/92/11/458029211.db2.gz XULNEDPIYOPPFC-UHFFFAOYSA-N 1 2 338.367 3.376 10 5 EGBELO O=[N+]([O-])c1cc(Cl)cnc1NCc1[nH+]ccn1CC(F)(F)F ZINC000434958082 458070289 /nfs/dbraw/zinc/07/02/89/458070289.db2.gz KGPLKZXEYTWBTA-UHFFFAOYSA-N 1 2 335.673 3.014 10 5 EGBELO CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371828763 458089662 /nfs/dbraw/zinc/08/96/62/458089662.db2.gz LVORIMGSDUVGJN-JLHYYAGUSA-N 1 2 340.383 3.127 10 5 EGBELO CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371828763 458089672 /nfs/dbraw/zinc/08/96/72/458089672.db2.gz LVORIMGSDUVGJN-JLHYYAGUSA-N 1 2 340.383 3.127 10 5 EGBELO COc1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000424207972 458583852 /nfs/dbraw/zinc/58/38/52/458583852.db2.gz XVSZSPUCQFMZNY-IRXDYDNUSA-N 1 2 332.331 3.036 10 5 EGBELO CCc1cnc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000441352442 458925518 /nfs/dbraw/zinc/92/55/18/458925518.db2.gz XTAQVZAFHMFMIC-CYBMUJFWSA-N 1 2 346.456 3.497 10 5 EGBELO Cc1c[nH+]c(C)nc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000569018707 459383237 /nfs/dbraw/zinc/38/32/37/459383237.db2.gz CSMTUPYJQBIAEA-UHFFFAOYSA-N 1 2 328.372 3.049 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484567649 459420410 /nfs/dbraw/zinc/42/04/10/459420410.db2.gz NZCHOKOYDGQFIZ-NVXWUHKLSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484567649 459420412 /nfs/dbraw/zinc/42/04/12/459420412.db2.gz NZCHOKOYDGQFIZ-NVXWUHKLSA-N 1 2 342.395 3.436 10 5 EGBELO COC(=O)c1ccc(F)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000542823973 459600454 /nfs/dbraw/zinc/60/04/54/459600454.db2.gz ZBYGWBGYYXNTMP-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO COC(=O)c1ccc(F)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000542823973 459600458 /nfs/dbraw/zinc/60/04/58/459600458.db2.gz ZBYGWBGYYXNTMP-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000584421010 459735509 /nfs/dbraw/zinc/73/55/09/459735509.db2.gz ZJSQLRYKVLYSNE-SWLSCSKDSA-N 1 2 341.415 3.251 10 5 EGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000597252166 459896010 /nfs/dbraw/zinc/89/60/10/459896010.db2.gz RMMNRPQUPJQECR-RCLKMUNOSA-N 1 2 326.343 3.354 10 5 EGBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000597252166 459896011 /nfs/dbraw/zinc/89/60/11/459896011.db2.gz RMMNRPQUPJQECR-RCLKMUNOSA-N 1 2 326.343 3.354 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000597631107 460012537 /nfs/dbraw/zinc/01/25/37/460012537.db2.gz HZYPKKRTJJUXLP-GFCCVEGCSA-N 1 2 342.399 3.290 10 5 EGBELO COc1ccc(C(C)(C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1F ZINC000598996535 460122344 /nfs/dbraw/zinc/12/23/44/460122344.db2.gz JTYVFUGQPSSGKD-UHFFFAOYSA-N 1 2 334.347 3.473 10 5 EGBELO CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599045431 460138085 /nfs/dbraw/zinc/13/80/85/460138085.db2.gz HNOLKKJIOPTYRF-GXTWGEPZSA-N 1 2 342.399 3.202 10 5 EGBELO COC(=O)CCC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599062414 460147945 /nfs/dbraw/zinc/14/79/45/460147945.db2.gz POSVFDBTUMBWFH-UHFFFAOYSA-N 1 2 343.383 3.313 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599073457 460151664 /nfs/dbraw/zinc/15/16/64/460151664.db2.gz DQZQAASGTCNEJC-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO CCC[C@@H](C)C(=O)NCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082172 460155316 /nfs/dbraw/zinc/15/53/16/460155316.db2.gz RWYNZLQRCIKZNH-GFCCVEGCSA-N 1 2 330.388 3.107 10 5 EGBELO CC(C)(C)N1C[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599110301 460163869 /nfs/dbraw/zinc/16/38/69/460163869.db2.gz PMOFKBWRCVUQOC-LBPRGKRZSA-N 1 2 342.399 3.202 10 5 EGBELO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502378 460378774 /nfs/dbraw/zinc/37/87/74/460378774.db2.gz RRTBNUZZOSNEDD-GXSJLCMTSA-N 1 2 348.321 3.385 10 5 EGBELO COc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502378 460378778 /nfs/dbraw/zinc/37/87/78/460378778.db2.gz RRTBNUZZOSNEDD-GXSJLCMTSA-N 1 2 348.321 3.385 10 5 EGBELO Cn1cc[nH+]c1[C@@H](NCc1ccc(Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000611560268 460398648 /nfs/dbraw/zinc/39/86/48/460398648.db2.gz JLIRYFIUHPHMGR-HNNXBMFYSA-N 1 2 346.774 3.454 10 5 EGBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000600198366 460434871 /nfs/dbraw/zinc/43/48/71/460434871.db2.gz WYYIYCSPMDVEPK-UHFFFAOYSA-N 1 2 338.310 3.464 10 5 EGBELO Cc1cccc(CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[nH+]1 ZINC000601164313 460737355 /nfs/dbraw/zinc/73/73/55/460737355.db2.gz BFRJBYNREOFKMY-UHFFFAOYSA-N 1 2 343.309 3.095 10 5 EGBELO COc1ccc(CCC2CC[NH+](Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000914566365 1319346405 /nfs/dbraw/zinc/34/64/05/1319346405.db2.gz ZFVWEWFILNBXEL-UHFFFAOYSA-N 1 2 344.415 3.102 10 5 EGBELO COc1cc(C[NH2+]Cc2ccc(C(C)(C)C)o2)c([N+](=O)[O-])cc1O ZINC000865814894 1329741405 /nfs/dbraw/zinc/74/14/05/1329741405.db2.gz QFRLJQZOUNEFIL-UHFFFAOYSA-N 1 2 334.372 3.489 10 5 EGBELO CCc1[nH]c(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)c[nH+]1 ZINC001187739604 1388153740 /nfs/dbraw/zinc/15/37/40/1388153740.db2.gz BKQZJYKHWIXSDN-UHFFFAOYSA-N 1 2 332.751 3.089 10 5 EGBELO CCc1[nH]cc(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)[nH+]1 ZINC001187739604 1388153742 /nfs/dbraw/zinc/15/37/42/1388153742.db2.gz BKQZJYKHWIXSDN-UHFFFAOYSA-N 1 2 332.751 3.089 10 5 EGBELO CCC[C@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001132991006 1375697555 /nfs/dbraw/zinc/69/75/55/1375697555.db2.gz FTDGMARVJWDFDU-ZDUSSCGKSA-N 1 2 330.388 3.337 10 5 EGBELO Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001294283201 1382435575 /nfs/dbraw/zinc/43/55/75/1382435575.db2.gz DCBOBNCGJPETLL-UHFFFAOYSA-N 1 2 347.133 3.002 10 5 EGBELO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CCCO1 ZINC001307717430 1384018689 /nfs/dbraw/zinc/01/86/89/1384018689.db2.gz ZXRSARDIFWHFJM-ZDUSSCGKSA-N 1 2 343.221 3.358 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)CCCO1 ZINC001307717430 1384018692 /nfs/dbraw/zinc/01/86/92/1384018692.db2.gz ZXRSARDIFWHFJM-ZDUSSCGKSA-N 1 2 343.221 3.358 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC001175669387 1385368844 /nfs/dbraw/zinc/36/88/44/1385368844.db2.gz NNMIKPLRGWERRS-INIZCTEOSA-N 1 2 339.395 3.285 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC001175669387 1385368850 /nfs/dbraw/zinc/36/88/50/1385368850.db2.gz NNMIKPLRGWERRS-INIZCTEOSA-N 1 2 339.395 3.285 10 5 EGBELO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)ccc1Cl ZINC001176927116 1385746047 /nfs/dbraw/zinc/74/60/47/1385746047.db2.gz NGURWPGLCUPDHU-AWEZNQCLSA-N 1 2 342.729 3.350 10 5 EGBELO C[NH+](C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001355016511 1392185974 /nfs/dbraw/zinc/18/59/74/1392185974.db2.gz SVSKWFIXCMDJDC-OAHLLOKOSA-N 1 2 333.775 3.490 10 5 EGBELO CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001732025922 1428244303 /nfs/dbraw/zinc/24/43/03/1428244303.db2.gz YGXSDBPVYDYOAV-VWHBIUGESA-N 1 2 343.427 3.126 10 5 EGBELO CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001732025922 1428244305 /nfs/dbraw/zinc/24/43/05/1428244305.db2.gz YGXSDBPVYDYOAV-VWHBIUGESA-N 1 2 343.427 3.126 10 5 EGBELO CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001713706039 1418466043 /nfs/dbraw/zinc/46/60/43/1418466043.db2.gz UGZMQVQPVAJGDG-CALCHBBNSA-N 1 2 345.443 3.206 10 5 EGBELO CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001713706039 1418466045 /nfs/dbraw/zinc/46/60/45/1418466045.db2.gz UGZMQVQPVAJGDG-CALCHBBNSA-N 1 2 345.443 3.206 10 5 EGBELO CCc1nc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CCCC2)no1 ZINC000183458516 529731318 /nfs/dbraw/zinc/73/13/18/529731318.db2.gz VJHOWVYAMPBQTP-UHFFFAOYSA-N 1 2 330.388 3.408 10 5 EGBELO Cc1c(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000246845126 243326323 /nfs/dbraw/zinc/32/63/23/243326323.db2.gz VIAHIJRQWNPSBM-KSSFIOAISA-N 1 2 348.349 3.489 10 5 EGBELO Cc1c(C[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000246845126 243326331 /nfs/dbraw/zinc/32/63/31/243326331.db2.gz VIAHIJRQWNPSBM-KSSFIOAISA-N 1 2 348.349 3.489 10 5 EGBELO COc1cccc([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119066884 221236335 /nfs/dbraw/zinc/23/63/35/221236335.db2.gz UGJHQWLHUMYTLY-GOSISDBHSA-N 1 2 328.368 3.177 10 5 EGBELO COc1cccc([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000119066884 221236338 /nfs/dbraw/zinc/23/63/38/221236338.db2.gz UGJHQWLHUMYTLY-GOSISDBHSA-N 1 2 328.368 3.177 10 5 EGBELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000173378772 144040104 /nfs/dbraw/zinc/04/01/04/144040104.db2.gz RCXDRMDOBXXMFJ-SJCJKPOMSA-N 1 2 337.383 3.462 10 5 EGBELO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000351722092 144296866 /nfs/dbraw/zinc/29/68/66/144296866.db2.gz UQOFKSPJJYTXPA-SECBINFHSA-N 1 2 336.294 3.453 10 5 EGBELO COc1cc(NCc2cn3cc(C)ccc3[nH+]2)c([N+](=O)[O-])cc1F ZINC000343925479 164068305 /nfs/dbraw/zinc/06/83/05/164068305.db2.gz RGCFWSIRBDQGSQ-UHFFFAOYSA-N 1 2 330.319 3.311 10 5 EGBELO CCn1nc(C)c([N+](=O)[O-])c1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000359442084 167157432 /nfs/dbraw/zinc/15/74/32/167157432.db2.gz VMFSCIPFNPGREW-UHFFFAOYSA-N 1 2 334.767 3.033 10 5 EGBELO COc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000278597274 275257709 /nfs/dbraw/zinc/25/77/09/275257709.db2.gz HMEYQIGPODSTLZ-UHFFFAOYSA-N 1 2 347.318 3.369 10 5 EGBELO Cc1cc(Cl)c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000295394398 308321903 /nfs/dbraw/zinc/32/19/03/308321903.db2.gz YTRPFEBYJHLGOI-UHFFFAOYSA-N 1 2 348.790 3.300 10 5 EGBELO C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1n1cc[nH+]c1 ZINC000297344677 308524712 /nfs/dbraw/zinc/52/47/12/308524712.db2.gz BCRPPYCDLONUFP-SUMWQHHRSA-N 1 2 337.383 3.427 10 5 EGBELO Cc1cc(N2C[C@H](C)O[C@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000445662317 309945143 /nfs/dbraw/zinc/94/51/43/309945143.db2.gz AAELHGODEKSDFK-MELADBBJSA-N 1 2 342.399 3.362 10 5 EGBELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171625442 323243253 /nfs/dbraw/zinc/24/32/53/323243253.db2.gz DSRRBQKNJYFTJO-PJODQICGSA-N 1 2 336.363 3.040 10 5 EGBELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171625442 323243256 /nfs/dbraw/zinc/24/32/56/323243256.db2.gz DSRRBQKNJYFTJO-PJODQICGSA-N 1 2 336.363 3.040 10 5 EGBELO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CCC3)n2C)cc1[N+](=O)[O-] ZINC000181763087 323502648 /nfs/dbraw/zinc/50/26/48/323502648.db2.gz DVDIYTMXXPSYLQ-LBPRGKRZSA-N 1 2 329.404 3.150 10 5 EGBELO CCOC(=O)[C@H](CC(C)C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580627782 325275537 /nfs/dbraw/zinc/27/55/37/325275537.db2.gz WGUBICFWTAKIMT-KRWDZBQOSA-N 1 2 347.415 3.186 10 5 EGBELO Cc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc(C2CC2)[nH+]1 ZINC000583833790 325555292 /nfs/dbraw/zinc/55/52/92/325555292.db2.gz DRHRIKMNOPTVOV-UHFFFAOYSA-N 1 2 337.383 3.128 10 5 EGBELO C[C@H]1CN(c2ccc(CNc3ccsc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000067913163 453979906 /nfs/dbraw/zinc/97/99/06/453979906.db2.gz MMQFLUPXEVHQSO-RYUDHWBXSA-N 1 2 348.428 3.277 10 5 EGBELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000246082035 455423705 /nfs/dbraw/zinc/42/37/05/455423705.db2.gz DSRRBQKNJYFTJO-XFJVYGCCSA-N 1 2 336.363 3.040 10 5 EGBELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000246082035 455423706 /nfs/dbraw/zinc/42/37/06/455423706.db2.gz DSRRBQKNJYFTJO-XFJVYGCCSA-N 1 2 336.363 3.040 10 5 EGBELO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153151966 454765158 /nfs/dbraw/zinc/76/51/58/454765158.db2.gz ZQLBHBSLWCSEIB-CKEIUWERSA-N 1 2 345.443 3.036 10 5 EGBELO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153151966 454765161 /nfs/dbraw/zinc/76/51/61/454765161.db2.gz ZQLBHBSLWCSEIB-CKEIUWERSA-N 1 2 345.443 3.036 10 5 EGBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000125006182 454789893 /nfs/dbraw/zinc/78/98/93/454789893.db2.gz GAIZULGNWOXVLM-IAQYHMDHSA-N 1 2 348.790 3.168 10 5 EGBELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155106621 454963530 /nfs/dbraw/zinc/96/35/30/454963530.db2.gz AWNHCZVXJPWVGM-NSHDSACASA-N 1 2 347.346 3.032 10 5 EGBELO COc1cccc2c1[nH+]c(NCc1ccc(OC)c([N+](=O)[O-])c1)n2C ZINC000184790085 455448756 /nfs/dbraw/zinc/44/87/56/455448756.db2.gz WMDFJKFVGNPWDO-UHFFFAOYSA-N 1 2 342.355 3.111 10 5 EGBELO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000280396600 455963837 /nfs/dbraw/zinc/96/38/37/455963837.db2.gz XMDMNAFGQQCLDR-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@]2(CCOC2)O1 ZINC000280396600 455963840 /nfs/dbraw/zinc/96/38/40/455963840.db2.gz XMDMNAFGQQCLDR-INIZCTEOSA-N 1 2 340.807 3.018 10 5 EGBELO O=[N+]([O-])c1cc(F)cnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000601105839 460712537 /nfs/dbraw/zinc/71/25/37/460712537.db2.gz OEKKBSJUDVLWCL-UHFFFAOYSA-N 1 2 331.351 3.126 10 5 EGBELO COCCC1(C)C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000297399335 456209846 /nfs/dbraw/zinc/20/98/46/456209846.db2.gz LFOHLEMEZKGAMU-UHFFFAOYSA-N 1 2 330.331 3.055 10 5 EGBELO C[C@H]1c2ccccc2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000341314722 456842866 /nfs/dbraw/zinc/84/28/66/456842866.db2.gz YYURWBSPJFQBHM-ZDUSSCGKSA-N 1 2 348.362 3.498 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000339090555 456936974 /nfs/dbraw/zinc/93/69/74/456936974.db2.gz KICHDZGZKQMMAD-IBGZPJMESA-N 1 2 340.379 3.322 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000339090555 456936975 /nfs/dbraw/zinc/93/69/75/456936975.db2.gz KICHDZGZKQMMAD-IBGZPJMESA-N 1 2 340.379 3.322 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000359929922 457154025 /nfs/dbraw/zinc/15/40/25/457154025.db2.gz NTGZGPFIPPOJDA-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361061031 457555293 /nfs/dbraw/zinc/55/52/93/457555293.db2.gz YCMYZNJWLYLBRC-CYBMUJFWSA-N 1 2 325.368 3.419 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1Cc2ccccc2[C@H]1C ZINC000361061031 457555296 /nfs/dbraw/zinc/55/52/96/457555296.db2.gz YCMYZNJWLYLBRC-CYBMUJFWSA-N 1 2 325.368 3.419 10 5 EGBELO COc1ccnc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1F ZINC000595082296 459239706 /nfs/dbraw/zinc/23/97/06/459239706.db2.gz YDLNDYVUUKZTRH-CQSZACIVSA-N 1 2 331.347 3.305 10 5 EGBELO Cc1noc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC000595294191 459269285 /nfs/dbraw/zinc/26/92/85/459269285.db2.gz WGHXNQNXJZWQOC-UHFFFAOYSA-N 1 2 343.383 3.295 10 5 EGBELO C[C@]1(C2CC2)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000595627203 459374756 /nfs/dbraw/zinc/37/47/56/459374756.db2.gz WWMXDRSKOMDROW-GOSISDBHSA-N 1 2 343.383 3.251 10 5 EGBELO C[C@]1(C2CC2)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000595627203 459374759 /nfs/dbraw/zinc/37/47/59/459374759.db2.gz WWMXDRSKOMDROW-GOSISDBHSA-N 1 2 343.383 3.251 10 5 EGBELO Cc1noc(C[N@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000595634536 459377312 /nfs/dbraw/zinc/37/73/12/459377312.db2.gz BUGDYKPSNUNIJB-HNNXBMFYSA-N 1 2 345.399 3.461 10 5 EGBELO Cc1noc(C[N@@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000595634536 459377314 /nfs/dbraw/zinc/37/73/14/459377314.db2.gz BUGDYKPSNUNIJB-HNNXBMFYSA-N 1 2 345.399 3.461 10 5 EGBELO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562066230 459508853 /nfs/dbraw/zinc/50/88/53/459508853.db2.gz GGKUHDDSCMCOOI-RKDXNWHRSA-N 1 2 346.168 3.182 10 5 EGBELO CC[C@](C)([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nccs1 ZINC000593019903 459742562 /nfs/dbraw/zinc/74/25/62/459742562.db2.gz RWVZQNJYLRMNRG-INIZCTEOSA-N 1 2 349.412 3.253 10 5 EGBELO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nccs1 ZINC000593022695 459743106 /nfs/dbraw/zinc/74/31/06/459743106.db2.gz IIUKTWSYJHNAHP-GFCCVEGCSA-N 1 2 335.385 3.079 10 5 EGBELO CC(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000598382286 459884383 /nfs/dbraw/zinc/88/43/83/459884383.db2.gz XRLGWVLZAPGTLU-UHFFFAOYSA-N 1 2 340.383 3.089 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1F)[C@H](C)O ZINC000593660033 459943494 /nfs/dbraw/zinc/94/34/94/459943494.db2.gz YXALXXPMWLGFRP-KPZWWZAWSA-N 1 2 348.374 3.344 10 5 EGBELO CN(C)C(=O)[C@@H]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599045438 460138408 /nfs/dbraw/zinc/13/84/08/460138408.db2.gz HNOLKKJIOPTYRF-OCCSQVGLSA-N 1 2 342.399 3.202 10 5 EGBELO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872020710 1296663717 /nfs/dbraw/zinc/66/37/17/1296663717.db2.gz KMLBAQCSKPTGEF-GFCCVEGCSA-N 1 2 345.374 3.287 10 5 EGBELO CCC[N@H+](CCNC(=O)C1=CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001266558854 1377332390 /nfs/dbraw/zinc/33/23/90/1377332390.db2.gz VOOKMBWWYAEXHA-UHFFFAOYSA-N 1 2 337.445 3.095 10 5 EGBELO CCC[N@@H+](CCNC(=O)C1=CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001266558854 1377332391 /nfs/dbraw/zinc/33/23/91/1377332391.db2.gz VOOKMBWWYAEXHA-UHFFFAOYSA-N 1 2 337.445 3.095 10 5 EGBELO C[C@@H]1C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001176972128 1385760010 /nfs/dbraw/zinc/76/00/10/1385760010.db2.gz YJXMOQVJWSUQME-GHMZBOCLSA-N 1 2 343.221 3.357 10 5 EGBELO C[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001176972128 1385760015 /nfs/dbraw/zinc/76/00/15/1385760015.db2.gz YJXMOQVJWSUQME-GHMZBOCLSA-N 1 2 343.221 3.357 10 5 EGBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001349022108 1391297399 /nfs/dbraw/zinc/29/73/99/1391297399.db2.gz NOKHSOJCBZPPSR-HNNXBMFYSA-N 1 2 345.399 3.339 10 5 EGBELO O=C(Nc1cccnc1Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001354680703 1392160776 /nfs/dbraw/zinc/16/07/76/1392160776.db2.gz MPJAVCJOXKTKQO-UHFFFAOYSA-N 1 2 343.730 3.081 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000072296200 216133641 /nfs/dbraw/zinc/13/36/41/216133641.db2.gz GSEFVNRBTPLFMS-UHFFFAOYSA-N 1 2 346.362 3.218 10 5 EGBELO C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266902904 296158024 /nfs/dbraw/zinc/15/80/24/296158024.db2.gz UMJHEDIWIGPDMB-DYVFJYSZSA-N 1 2 327.384 3.075 10 5 EGBELO COc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000268282527 141058617 /nfs/dbraw/zinc/05/86/17/141058617.db2.gz RXKDIKYVVDJSSE-XHDPSFHLSA-N 1 2 334.351 3.027 10 5 EGBELO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341256932 141145015 /nfs/dbraw/zinc/14/50/15/141145015.db2.gz IPNAYNWRJNYICE-UHFFFAOYSA-N 1 2 349.394 3.152 10 5 EGBELO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000344936611 144244643 /nfs/dbraw/zinc/24/46/43/144244643.db2.gz RXTRDZWNUVGDCE-INIZCTEOSA-N 1 2 332.356 3.377 10 5 EGBELO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000344936611 144244645 /nfs/dbraw/zinc/24/46/45/144244645.db2.gz RXTRDZWNUVGDCE-INIZCTEOSA-N 1 2 332.356 3.377 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1ccsc1 ZINC000352033226 165200834 /nfs/dbraw/zinc/20/08/34/165200834.db2.gz RJFXLAICEJBERF-HNNXBMFYSA-N 1 2 336.413 3.267 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000359084987 167063029 /nfs/dbraw/zinc/06/30/29/167063029.db2.gz SGKQVULIWBYPPS-UHFFFAOYSA-N 1 2 327.388 3.214 10 5 EGBELO COCc1cc([N+](=O)[O-])ccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000359480775 167167972 /nfs/dbraw/zinc/16/79/72/167167972.db2.gz MICGVEQUBDVURX-UHFFFAOYSA-N 1 2 344.293 3.112 10 5 EGBELO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000366275230 168101176 /nfs/dbraw/zinc/10/11/76/168101176.db2.gz WBMSDUWXCSLPIT-HOCLYGCPSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@]2(CCOC2)O1 ZINC000366275230 168101178 /nfs/dbraw/zinc/10/11/78/168101178.db2.gz WBMSDUWXCSLPIT-HOCLYGCPSA-N 1 2 340.807 3.018 10 5 EGBELO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171364929 227042255 /nfs/dbraw/zinc/04/22/55/227042255.db2.gz HLCYLGCDYDDVIF-AWEZNQCLSA-N 1 2 349.394 3.476 10 5 EGBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000273321992 267020563 /nfs/dbraw/zinc/02/05/63/267020563.db2.gz PXTPJBVDEDCOOC-OUKQBFOZSA-N 1 2 340.383 3.127 10 5 EGBELO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000007975853 275118447 /nfs/dbraw/zinc/11/84/47/275118447.db2.gz TVJUKNRQRSIENF-UHFFFAOYSA-N 1 2 337.763 3.220 10 5 EGBELO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000007975853 275118448 /nfs/dbraw/zinc/11/84/48/275118448.db2.gz TVJUKNRQRSIENF-UHFFFAOYSA-N 1 2 337.763 3.220 10 5 EGBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000289733893 276385642 /nfs/dbraw/zinc/38/56/42/276385642.db2.gz JBDCWZNZCCXLGV-UHFFFAOYSA-N 1 2 343.387 3.292 10 5 EGBELO Cc1cc(NCCc2cn(C)c[nH+]2)c(Br)cc1[N+](=O)[O-] ZINC000313485114 308765247 /nfs/dbraw/zinc/76/52/47/308765247.db2.gz TUHODMWQPNNWDX-UHFFFAOYSA-N 1 2 339.193 3.054 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(F)c1 ZINC000449425318 310061142 /nfs/dbraw/zinc/06/11/42/310061142.db2.gz QAHHLGFNLARTDQ-FUHWJXTLSA-N 1 2 348.349 3.034 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(F)c1 ZINC000449425318 310061143 /nfs/dbraw/zinc/06/11/43/310061143.db2.gz QAHHLGFNLARTDQ-FUHWJXTLSA-N 1 2 348.349 3.034 10 5 EGBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487155221 311012731 /nfs/dbraw/zinc/01/27/31/311012731.db2.gz LWLSBXJNQYCCNE-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487155221 311012733 /nfs/dbraw/zinc/01/27/33/311012733.db2.gz LWLSBXJNQYCCNE-UHFFFAOYSA-N 1 2 334.322 3.310 10 5 EGBELO O=[N+]([O-])c1cnc2ccccc2c1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000487904802 311042271 /nfs/dbraw/zinc/04/22/71/311042271.db2.gz DAOJQUJFZFHGFJ-UHFFFAOYSA-N 1 2 347.378 3.486 10 5 EGBELO O=[N+]([O-])c1cc2c(nc1NCCc1cn3ccccc3[nH+]1)CCCC2 ZINC000572756041 317387392 /nfs/dbraw/zinc/38/73/92/317387392.db2.gz GVLDVFDZKUZAJY-UHFFFAOYSA-N 1 2 337.383 3.171 10 5 EGBELO CNC(=O)[C@@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000026470603 453800995 /nfs/dbraw/zinc/80/09/95/453800995.db2.gz FVQMVVVLVSBVTD-LLVKDONJSA-N 1 2 336.420 3.262 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000026851957 453806594 /nfs/dbraw/zinc/80/65/94/453806594.db2.gz POSXZETUNHBTDX-OAHLLOKOSA-N 1 2 339.395 3.114 10 5 EGBELO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000090014521 454263175 /nfs/dbraw/zinc/26/31/75/454263175.db2.gz ZAVXCAOAXQEOFK-WFASDCNBSA-N 1 2 349.774 3.016 10 5 EGBELO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000090014521 454263177 /nfs/dbraw/zinc/26/31/77/454263177.db2.gz ZAVXCAOAXQEOFK-WFASDCNBSA-N 1 2 349.774 3.016 10 5 EGBELO CCc1noc(CC)c1C[NH2+][C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000097017291 454388212 /nfs/dbraw/zinc/38/82/12/454388212.db2.gz WRZNSQCWJAWGLA-SNVBAGLBSA-N 1 2 347.371 3.287 10 5 EGBELO C[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1F ZINC000612472207 460637418 /nfs/dbraw/zinc/63/74/18/460637418.db2.gz XBPOJJLLHRCEHO-JTQLQIEISA-N 1 2 328.303 3.124 10 5 EGBELO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000092094489 454519204 /nfs/dbraw/zinc/51/92/04/454519204.db2.gz XRADQWIYNIKYLW-KBXCAEBGSA-N 1 2 348.349 3.489 10 5 EGBELO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000092094489 454519210 /nfs/dbraw/zinc/51/92/10/454519210.db2.gz XRADQWIYNIKYLW-KBXCAEBGSA-N 1 2 348.349 3.489 10 5 EGBELO COC(=O)c1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000153280440 454777898 /nfs/dbraw/zinc/77/78/98/454777898.db2.gz NXVZUSZBFQLBPZ-UHFFFAOYSA-N 1 2 332.381 3.001 10 5 EGBELO COC(=O)c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000153280440 454777901 /nfs/dbraw/zinc/77/79/01/454777901.db2.gz NXVZUSZBFQLBPZ-UHFFFAOYSA-N 1 2 332.381 3.001 10 5 EGBELO C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000125648416 454836791 /nfs/dbraw/zinc/83/67/91/454836791.db2.gz ICGSKPDHDIQCQS-NHYWBVRUSA-N 1 2 348.790 3.168 10 5 EGBELO COc1cc(C[NH2+][C@@H](C)c2nc(C)cs2)c([N+](=O)[O-])cc1F ZINC000184407357 455377572 /nfs/dbraw/zinc/37/75/72/455377572.db2.gz DPFXKNGFKHXGOI-VIFPVBQESA-N 1 2 325.365 3.358 10 5 EGBELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000246082031 455423207 /nfs/dbraw/zinc/42/32/07/455423207.db2.gz DSRRBQKNJYFTJO-PEYYIBSZSA-N 1 2 336.363 3.040 10 5 EGBELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000246082031 455423213 /nfs/dbraw/zinc/42/32/13/455423213.db2.gz DSRRBQKNJYFTJO-PEYYIBSZSA-N 1 2 336.363 3.040 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247163071 455567820 /nfs/dbraw/zinc/56/78/20/455567820.db2.gz SCYBGZRNCYVMOU-SCLBCKFNSA-N 1 2 328.368 3.435 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000247163071 455567825 /nfs/dbraw/zinc/56/78/25/455567825.db2.gz SCYBGZRNCYVMOU-SCLBCKFNSA-N 1 2 328.368 3.435 10 5 EGBELO CCOc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000301627478 456167187 /nfs/dbraw/zinc/16/71/87/456167187.db2.gz HIWZPALKFGNZOY-XJKSGUPXSA-N 1 2 330.388 3.278 10 5 EGBELO Cc1nc(N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)ccc1[N+](=O)[O-] ZINC000275790473 456314853 /nfs/dbraw/zinc/31/48/53/456314853.db2.gz ZGBGOSGKQKVJTM-MRXNPFEDSA-N 1 2 341.415 3.252 10 5 EGBELO CC(C)(C)[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000340566573 456534315 /nfs/dbraw/zinc/53/43/15/456534315.db2.gz DBCHSNUUZVOONM-SWLSCSKDSA-N 1 2 328.359 3.102 10 5 EGBELO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000340566573 456534323 /nfs/dbraw/zinc/53/43/23/456534323.db2.gz DBCHSNUUZVOONM-SWLSCSKDSA-N 1 2 328.359 3.102 10 5 EGBELO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348248381 456568515 /nfs/dbraw/zinc/56/85/15/456568515.db2.gz UZRSGOIQOUXTMC-WPRPVWTQSA-N 1 2 328.294 3.244 10 5 EGBELO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348248381 456568519 /nfs/dbraw/zinc/56/85/19/456568519.db2.gz UZRSGOIQOUXTMC-WPRPVWTQSA-N 1 2 328.294 3.244 10 5 EGBELO Cc1cc(NCC2(O)CCCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301224821 456826488 /nfs/dbraw/zinc/82/64/88/456826488.db2.gz FQOOQAAHROJTKH-UHFFFAOYSA-N 1 2 328.372 3.077 10 5 EGBELO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nnc2n1CCCCC2 ZINC000360111575 457260456 /nfs/dbraw/zinc/26/04/56/457260456.db2.gz DAMPWHXSHYLDRA-LLVKDONJSA-N 1 2 349.822 3.417 10 5 EGBELO Cc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1[N+](=O)[O-] ZINC000369886336 457445444 /nfs/dbraw/zinc/44/54/44/457445444.db2.gz FSPHVFRVBDHQIJ-LBPRGKRZSA-N 1 2 342.399 3.493 10 5 EGBELO Cc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1[N+](=O)[O-] ZINC000369886336 457445449 /nfs/dbraw/zinc/44/54/49/457445449.db2.gz FSPHVFRVBDHQIJ-LBPRGKRZSA-N 1 2 342.399 3.493 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000363869901 457460613 /nfs/dbraw/zinc/46/06/13/457460613.db2.gz RWYFBCRRCBAZJS-CYBMUJFWSA-N 1 2 329.404 3.072 10 5 EGBELO CO[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1C ZINC000425450990 457559770 /nfs/dbraw/zinc/55/97/70/457559770.db2.gz VGZPSWAKEMGFCN-QMTHXVAHSA-N 1 2 343.221 3.214 10 5 EGBELO CO[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1C ZINC000425450990 457559773 /nfs/dbraw/zinc/55/97/73/457559773.db2.gz VGZPSWAKEMGFCN-QMTHXVAHSA-N 1 2 343.221 3.214 10 5 EGBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364906029 457716172 /nfs/dbraw/zinc/71/61/72/457716172.db2.gz OHDURQQGLIDOCS-RUMSDORHSA-N 1 2 326.356 3.085 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1[N+](=O)[O-] ZINC000375915410 458122932 /nfs/dbraw/zinc/12/29/32/458122932.db2.gz XJVXZDLAAVDTHY-GFCCVEGCSA-N 1 2 342.399 3.290 10 5 EGBELO Cc1cc(N2CC3(CC3(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000594590392 459100566 /nfs/dbraw/zinc/10/05/66/459100566.db2.gz YUHCIUOPKLTXNA-UHFFFAOYSA-N 1 2 332.310 3.206 10 5 EGBELO CCOc1ccc([C@@H](C)[NH2+]Cc2nccc(OC)c2F)cc1[N+](=O)[O-] ZINC000595080401 459239850 /nfs/dbraw/zinc/23/98/50/459239850.db2.gz LSTAZJZDEAKBCC-LLVKDONJSA-N 1 2 349.362 3.387 10 5 EGBELO CC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000598251738 459840814 /nfs/dbraw/zinc/84/08/14/459840814.db2.gz VYCYCWSGXUJTEC-KRWDZBQOSA-N 1 2 328.372 3.089 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC([C@@H]2CCOC2)CC1 ZINC000599065257 460149491 /nfs/dbraw/zinc/14/94/91/460149491.db2.gz JQINBXLOEGGHSA-OAHLLOKOSA-N 1 2 327.384 3.396 10 5 EGBELO O=c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000599640109 460295705 /nfs/dbraw/zinc/29/57/05/460295705.db2.gz BTBSYEFIUKONDZ-ZDUSSCGKSA-N 1 2 334.763 3.081 10 5 EGBELO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000599640109 460295710 /nfs/dbraw/zinc/29/57/10/460295710.db2.gz BTBSYEFIUKONDZ-ZDUSSCGKSA-N 1 2 334.763 3.081 10 5 EGBELO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000613025679 460806347 /nfs/dbraw/zinc/80/63/47/460806347.db2.gz MUJCTUMPVYPEDW-CYBMUJFWSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000613025679 460806354 /nfs/dbraw/zinc/80/63/54/460806354.db2.gz MUJCTUMPVYPEDW-CYBMUJFWSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000613300132 460901407 /nfs/dbraw/zinc/90/14/07/460901407.db2.gz BJLQCRDTEQAQFX-CQSZACIVSA-N 1 2 343.387 3.277 10 5 EGBELO Cc1nc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])[nH]c1C ZINC001197710043 1368877313 /nfs/dbraw/zinc/87/73/13/1368877313.db2.gz CTWUQRHYUBMHMS-HNNXBMFYSA-N 1 2 330.388 3.151 10 5 EGBELO Cc1nc([C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])[nH]c1C ZINC001197710043 1368877317 /nfs/dbraw/zinc/87/73/17/1368877317.db2.gz CTWUQRHYUBMHMS-HNNXBMFYSA-N 1 2 330.388 3.151 10 5 EGBELO Cn1cc(C[N@@H+]2CCc3cc(C(C)(C)C)ccc3C2)c([N+](=O)[O-])n1 ZINC001307443303 1383990814 /nfs/dbraw/zinc/99/08/14/1383990814.db2.gz AFLYCLOHPYAYKR-UHFFFAOYSA-N 1 2 328.416 3.184 10 5 EGBELO Cn1cc(C[N@H+]2CCc3cc(C(C)(C)C)ccc3C2)c([N+](=O)[O-])n1 ZINC001307443303 1383990818 /nfs/dbraw/zinc/99/08/18/1383990818.db2.gz AFLYCLOHPYAYKR-UHFFFAOYSA-N 1 2 328.416 3.184 10 5 EGBELO CCc1nc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3C)CCCC2)no1 ZINC000173690728 529731396 /nfs/dbraw/zinc/73/13/96/529731396.db2.gz UJTGIVQUOADIJJ-UHFFFAOYSA-N 1 2 330.388 3.408 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000268619808 252074136 /nfs/dbraw/zinc/07/41/36/252074136.db2.gz BFRDANCHGDTAPK-CKEIUWERSA-N 1 2 346.383 3.073 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000268619808 252074141 /nfs/dbraw/zinc/07/41/41/252074141.db2.gz BFRDANCHGDTAPK-CKEIUWERSA-N 1 2 346.383 3.073 10 5 EGBELO C[C@@H](c1cccnc1)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000118836516 152156250 /nfs/dbraw/zinc/15/62/50/152156250.db2.gz NNFXLVYUJKPBCH-HOTGVXAUSA-N 1 2 340.427 3.430 10 5 EGBELO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000325112178 154177169 /nfs/dbraw/zinc/17/71/69/154177169.db2.gz HBWGKCLEVQBMQK-CHWSQXEVSA-N 1 2 329.404 3.325 10 5 EGBELO O=[N+]([O-])c1cnc(NCc2[nH+]ccn2CC(F)(F)F)c(Cl)c1 ZINC000346395880 164380067 /nfs/dbraw/zinc/38/00/67/164380067.db2.gz HOGBASUDLHKXCF-UHFFFAOYSA-N 1 2 335.673 3.014 10 5 EGBELO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)c3ccc(Cl)cc3)nc2c1 ZINC000359557725 167192740 /nfs/dbraw/zinc/19/27/40/167192740.db2.gz NTXZYPXARCXILX-AWEZNQCLSA-N 1 2 347.758 3.213 10 5 EGBELO Cn1c2c([nH+]c1[C@H]1CCCN1c1ncc([N+](=O)[O-])s1)CCCC2 ZINC000281772092 275574841 /nfs/dbraw/zinc/57/48/41/275574841.db2.gz DGBPQKKSUNDGJQ-GFCCVEGCSA-N 1 2 333.417 3.005 10 5 EGBELO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000345884586 279434223 /nfs/dbraw/zinc/43/42/23/279434223.db2.gz LKFPDEZAJJATIO-UHFFFAOYSA-N 1 2 349.431 3.027 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000359931892 281489410 /nfs/dbraw/zinc/48/94/10/281489410.db2.gz MMPPOOUNAQSHRI-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(F)cc1 ZINC000051532660 307331142 /nfs/dbraw/zinc/33/11/42/307331142.db2.gz NSOSFDSEBXLPDO-UHFFFAOYSA-N 1 2 342.330 3.416 10 5 EGBELO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc(F)cc1 ZINC000051532660 307331143 /nfs/dbraw/zinc/33/11/43/307331143.db2.gz NSOSFDSEBXLPDO-UHFFFAOYSA-N 1 2 342.330 3.416 10 5 EGBELO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418142756 309237517 /nfs/dbraw/zinc/23/75/17/309237517.db2.gz NPZSUHKLNQJSCF-OAHLLOKOSA-N 1 2 343.383 3.047 10 5 EGBELO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000418142756 309237518 /nfs/dbraw/zinc/23/75/18/309237518.db2.gz NPZSUHKLNQJSCF-OAHLLOKOSA-N 1 2 343.383 3.047 10 5 EGBELO CCOc1cccc(C[N@H+](CCO)Cc2csc([N+](=O)[O-])c2)c1 ZINC000449762943 310085569 /nfs/dbraw/zinc/08/55/69/310085569.db2.gz NBXMVVDKORBEAH-UHFFFAOYSA-N 1 2 336.413 3.050 10 5 EGBELO CCOc1cccc(C[N@@H+](CCO)Cc2csc([N+](=O)[O-])c2)c1 ZINC000449762943 310085570 /nfs/dbraw/zinc/08/55/70/310085570.db2.gz NBXMVVDKORBEAH-UHFFFAOYSA-N 1 2 336.413 3.050 10 5 EGBELO O=C(NC12CCC(CC1)CC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456257492 310395272 /nfs/dbraw/zinc/39/52/72/310395272.db2.gz UFQAQEVSZMSQGJ-UHFFFAOYSA-N 1 2 340.383 3.233 10 5 EGBELO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000456344304 310399864 /nfs/dbraw/zinc/39/98/64/310399864.db2.gz FTQXTDHHZPTBKF-SNVBAGLBSA-N 1 2 336.779 3.264 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000545605685 314771863 /nfs/dbraw/zinc/77/18/63/314771863.db2.gz SXOOSYZDPIAMRA-UHFFFAOYSA-N 1 2 335.323 3.192 10 5 EGBELO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000570959236 317133034 /nfs/dbraw/zinc/13/30/34/317133034.db2.gz YETYESWMKUPUIN-VXGBXAGGSA-N 1 2 340.387 3.343 10 5 EGBELO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000580303207 325230886 /nfs/dbraw/zinc/23/08/86/325230886.db2.gz KKLZSPAGNZASCG-HAQNSBGRSA-N 1 2 346.412 3.204 10 5 EGBELO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000006639380 452961970 /nfs/dbraw/zinc/96/19/70/452961970.db2.gz VAKZGVZKBPARGW-UHFFFAOYSA-N 1 2 331.347 3.113 10 5 EGBELO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000006639380 452961974 /nfs/dbraw/zinc/96/19/74/452961974.db2.gz VAKZGVZKBPARGW-UHFFFAOYSA-N 1 2 331.347 3.113 10 5 EGBELO CCO[C@H](C)c1noc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181557805 455355920 /nfs/dbraw/zinc/35/59/20/455355920.db2.gz OHGUSFKFSAVIQE-BXUZGUMPSA-N 1 2 334.376 3.316 10 5 EGBELO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026347241 453797609 /nfs/dbraw/zinc/79/76/09/453797609.db2.gz GFAAIXMAZUACQG-GJZGRUSLSA-N 1 2 341.411 3.293 10 5 EGBELO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000026347241 453797612 /nfs/dbraw/zinc/79/76/12/453797612.db2.gz GFAAIXMAZUACQG-GJZGRUSLSA-N 1 2 341.411 3.293 10 5 EGBELO Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000032251639 453866159 /nfs/dbraw/zinc/86/61/59/453866159.db2.gz QNTZIAJBOZEQNQ-GFCCVEGCSA-N 1 2 340.339 3.173 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000053323514 453871323 /nfs/dbraw/zinc/87/13/23/453871323.db2.gz QVSBQVVNNHCPDA-CYBMUJFWSA-N 1 2 345.424 3.175 10 5 EGBELO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000097162535 454418979 /nfs/dbraw/zinc/41/89/79/454418979.db2.gz GIKBJKBKEPCSNR-NHYWBVRUSA-N 1 2 348.790 3.168 10 5 EGBELO CCOc1ccccc1N1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000079601258 454447980 /nfs/dbraw/zinc/44/79/80/454447980.db2.gz UDYKPQPJCGEFGK-UHFFFAOYSA-N 1 2 347.440 3.377 10 5 EGBELO CN(Cc1ccc(N)[nH+]c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000135982559 454712554 /nfs/dbraw/zinc/71/25/54/454712554.db2.gz COGODCQDBPBNTE-UHFFFAOYSA-N 1 2 326.278 3.227 10 5 EGBELO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153204149 454770331 /nfs/dbraw/zinc/77/03/31/454770331.db2.gz ZHMIBWIXHMSWNJ-CQSZACIVSA-N 1 2 339.395 3.004 10 5 EGBELO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153204149 454770332 /nfs/dbraw/zinc/77/03/32/454770332.db2.gz ZHMIBWIXHMSWNJ-CQSZACIVSA-N 1 2 339.395 3.004 10 5 EGBELO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000127122984 454939765 /nfs/dbraw/zinc/93/97/65/454939765.db2.gz UDXBKSCBAFLUCO-UHFFFAOYSA-N 1 2 326.278 3.227 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000612577291 460666417 /nfs/dbraw/zinc/66/64/17/460666417.db2.gz JQEQAKJRGFEXDT-UHFFFAOYSA-N 1 2 333.432 3.126 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000612577291 460666420 /nfs/dbraw/zinc/66/64/20/460666420.db2.gz JQEQAKJRGFEXDT-UHFFFAOYSA-N 1 2 333.432 3.126 10 5 EGBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191184856 455459336 /nfs/dbraw/zinc/45/93/36/455459336.db2.gz HSHFGVXPNYYUJP-YVLXSGLVSA-N 1 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ZINC000339063798 456923497 /nfs/dbraw/zinc/92/34/97/456923497.db2.gz GAHQDQLTDCSGJW-NSHDSACASA-N 1 2 332.356 3.168 10 5 EGBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000339088695 456935800 /nfs/dbraw/zinc/93/58/00/456935800.db2.gz ZXCNSCVKAJDHQL-FTLABTOESA-N 1 2 328.368 3.343 10 5 EGBELO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339095733 456938418 /nfs/dbraw/zinc/93/84/18/456938418.db2.gz ROJGVZPTNJZUAL-NSHDSACASA-N 1 2 332.404 3.411 10 5 EGBELO CCOc1ccc(-c2nc(Cc3ccc(C)[nH+]c3)no2)cc1[N+](=O)[O-] ZINC000356149706 457487977 /nfs/dbraw/zinc/48/79/77/457487977.db2.gz MMYLLKBLDCKDQH-UHFFFAOYSA-N 1 2 340.339 3.338 10 5 EGBELO Cc1ccc(Cc2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)c[nH+]1 ZINC000356159348 457495822 /nfs/dbraw/zinc/49/58/22/457495822.db2.gz BVFLCGJHJWIYHW-UHFFFAOYSA-N 1 2 335.323 3.420 10 5 EGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCSCC1 ZINC000425421605 457546087 /nfs/dbraw/zinc/54/60/87/457546087.db2.gz NXWKSQLTGVFBRL-UHFFFAOYSA-N 1 2 331.235 3.296 10 5 EGBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCSCC1 ZINC000425421605 457546092 /nfs/dbraw/zinc/54/60/92/457546092.db2.gz NXWKSQLTGVFBRL-UHFFFAOYSA-N 1 2 331.235 3.296 10 5 EGBELO CC(C)COC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361267815 457673424 /nfs/dbraw/zinc/67/34/24/457673424.db2.gz SGHWYGWDESJHGE-UHFFFAOYSA-N 1 2 332.404 3.108 10 5 EGBELO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(F)c1 ZINC000358090814 457780711 /nfs/dbraw/zinc/78/07/11/457780711.db2.gz UVNIQGVUGMAZPN-OAHLLOKOSA-N 1 2 327.319 3.064 10 5 EGBELO O=C1C[C@]2(CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411992130 458038228 /nfs/dbraw/zinc/03/82/28/458038228.db2.gz UWAONKDBCVJAHT-KRWDZBQOSA-N 1 2 344.392 3.266 10 5 EGBELO O=C1C[C@]2(CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)Oc2ccccc21 ZINC000411992130 458038235 /nfs/dbraw/zinc/03/82/35/458038235.db2.gz UWAONKDBCVJAHT-KRWDZBQOSA-N 1 2 344.392 3.266 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000430215669 458422740 /nfs/dbraw/zinc/42/27/40/458422740.db2.gz CNJXMRBPOFWNGC-ZDUSSCGKSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000430215669 458422744 /nfs/dbraw/zinc/42/27/44/458422744.db2.gz CNJXMRBPOFWNGC-ZDUSSCGKSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cscn2)cccc1[N+](=O)[O-] ZINC000594713165 459137552 /nfs/dbraw/zinc/13/75/52/459137552.db2.gz UGSRLGASWLDMJS-MNOVXSKESA-N 1 2 334.401 3.038 10 5 EGBELO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1[nH+]ccn1C ZINC000594996634 459210244 /nfs/dbraw/zinc/21/02/44/459210244.db2.gz UPEGIIZEFQGJDT-LLVKDONJSA-N 1 2 343.412 3.303 10 5 EGBELO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nccn1C ZINC000594996634 459210250 /nfs/dbraw/zinc/21/02/50/459210250.db2.gz UPEGIIZEFQGJDT-LLVKDONJSA-N 1 2 343.412 3.303 10 5 EGBELO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000595427551 459297881 /nfs/dbraw/zinc/29/78/81/459297881.db2.gz ZKLIQSZCYCCIHI-MRXNPFEDSA-N 1 2 343.362 3.264 10 5 EGBELO Cc1noc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595477987 459317648 /nfs/dbraw/zinc/31/76/48/459317648.db2.gz XBYJURWRUVCBMU-LLVKDONJSA-N 1 2 333.310 3.446 10 5 EGBELO Cc1noc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595477987 459317654 /nfs/dbraw/zinc/31/76/54/459317654.db2.gz XBYJURWRUVCBMU-LLVKDONJSA-N 1 2 333.310 3.446 10 5 EGBELO Cc1cc(NC[C@H]2CCOC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596545208 459672034 /nfs/dbraw/zinc/67/20/34/459672034.db2.gz RGMAAOIRYGTBOH-CQSZACIVSA-N 1 2 342.399 3.009 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@]3(CO)CCc4ccccc43)c2c1 ZINC000593485295 459903576 /nfs/dbraw/zinc/90/35/76/459903576.db2.gz VXOPEZCZVCAGBM-FQEVSTJZSA-N 1 2 349.390 3.431 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccco2)C(C)C)c1 ZINC000589494313 460095284 /nfs/dbraw/zinc/09/52/84/460095284.db2.gz NTIOPNZJSVUOFW-UHFFFAOYSA-N 1 2 332.356 3.385 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccco2)C(C)C)c1 ZINC000589494313 460095286 /nfs/dbraw/zinc/09/52/86/460095286.db2.gz NTIOPNZJSVUOFW-UHFFFAOYSA-N 1 2 332.356 3.385 10 5 EGBELO CCN(CC)C(=O)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599020251 460128685 /nfs/dbraw/zinc/12/86/85/460128685.db2.gz SLIFSMQUWYOGKY-UHFFFAOYSA-N 1 2 330.388 3.204 10 5 EGBELO CN(CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])CC(F)(F)F ZINC000599042236 460137086 /nfs/dbraw/zinc/13/70/86/460137086.db2.gz GNWGJYQGKKUOKI-UHFFFAOYSA-N 1 2 328.294 3.049 10 5 EGBELO COC(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCC1 ZINC000599054821 460142065 /nfs/dbraw/zinc/14/20/65/460142065.db2.gz OVWMXFIHEYVODU-UHFFFAOYSA-N 1 2 329.356 3.288 10 5 EGBELO Cc1cc[nH+]c([C@H]2CCN(c3nc4sccn4c3[N+](=O)[O-])C2)c1 ZINC000599103495 460161530 /nfs/dbraw/zinc/16/15/30/460161530.db2.gz WNXYZUHFWPYPFE-NSHDSACASA-N 1 2 329.385 3.001 10 5 EGBELO COc1ccc([C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1F ZINC000599681744 460309502 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459692190 /nfs/dbraw/zinc/69/21/90/459692190.db2.gz SNSGPMSYGSLTDP-UHFFFAOYSA-N 1 2 332.379 3.052 10 5 EGBELO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000596599410 459692197 /nfs/dbraw/zinc/69/21/97/459692197.db2.gz SNSGPMSYGSLTDP-UHFFFAOYSA-N 1 2 332.379 3.052 10 5 EGBELO CCc1nc([C@@H](C)[NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])cs1 ZINC000593024555 459745446 /nfs/dbraw/zinc/74/54/46/459745446.db2.gz MWVUQCAFUBYDPY-SNVBAGLBSA-N 1 2 349.412 3.251 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2c(C)noc2C)c1 ZINC000593029132 459745793 /nfs/dbraw/zinc/74/57/93/459745793.db2.gz UNIGLTWAFUBEKL-UHFFFAOYSA-N 1 2 347.371 3.011 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000589496266 460096057 /nfs/dbraw/zinc/09/60/57/460096057.db2.gz CQBVCGLQFUQNTE-KRWDZBQOSA-N 1 2 341.367 3.114 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000589496266 460096064 /nfs/dbraw/zinc/09/60/64/460096064.db2.gz CQBVCGLQFUQNTE-KRWDZBQOSA-N 1 2 341.367 3.114 10 5 EGBELO Cc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)cc1[N+](=O)[O-] ZINC000598938608 460096336 /nfs/dbraw/zinc/09/63/36/460096336.db2.gz BUIAMSNBHOHLDM-ACJLOTCBSA-N 1 2 339.395 3.267 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000589510741 460096882 /nfs/dbraw/zinc/09/68/82/460096882.db2.gz LCKUDUXLGLQVJS-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000589510741 460096888 /nfs/dbraw/zinc/09/68/88/460096888.db2.gz LCKUDUXLGLQVJS-UHFFFAOYSA-N 1 2 344.342 3.079 10 5 EGBELO C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000599057438 460144158 /nfs/dbraw/zinc/14/41/58/460144158.db2.gz PNULVQHEHUHXHR-DYVFJYSZSA-N 1 2 337.383 3.427 10 5 EGBELO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000603840233 460345909 /nfs/dbraw/zinc/34/59/09/460345909.db2.gz RAJAWYZJUHIQKY-UHFFFAOYSA-N 1 2 338.820 3.027 10 5 EGBELO O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1-n1c[nH+]c(CCCO)c1 ZINC000731902257 575217750 /nfs/dbraw/zinc/21/77/50/575217750.db2.gz CYQXXLUUISSRHA-UHFFFAOYSA-N 1 2 349.696 3.378 10 5 EGBELO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042914 1296691190 /nfs/dbraw/zinc/69/11/90/1296691190.db2.gz FPAAOVPUCUCENH-SECBINFHSA-N 1 2 346.284 3.344 10 5 EGBELO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051205 1296700864 /nfs/dbraw/zinc/70/08/64/1296700864.db2.gz ISDIMEBNUYJGGV-NSHDSACASA-N 1 2 334.395 3.443 10 5 EGBELO O=[N+]([O-])c1sc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1Br ZINC000895776523 1309514151 /nfs/dbraw/zinc/51/41/51/1309514151.db2.gz HAUAYENZUZHGEB-OCAPTIKFSA-N 1 2 349.275 3.214 10 5 EGBELO O=[N+]([O-])c1sc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1Br ZINC000895776523 1309514154 /nfs/dbraw/zinc/51/41/54/1309514154.db2.gz HAUAYENZUZHGEB-OCAPTIKFSA-N 1 2 349.275 3.214 10 5 EGBELO CCNc1cc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])cc[nH+]1 ZINC001187242749 1388080053 /nfs/dbraw/zinc/08/00/53/1388080053.db2.gz NDNWXFJYHKSBKJ-UHFFFAOYSA-N 1 2 341.346 3.143 10 5 EGBELO CCC[C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001132996092 1375701505 /nfs/dbraw/zinc/70/15/05/1375701505.db2.gz YQUVIZRWVOQEIM-CYBMUJFWSA-N 1 2 330.388 3.337 10 5 EGBELO Cc1c[nH+]cc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001133681979 1376151027 /nfs/dbraw/zinc/15/10/27/1376151027.db2.gz DSPXJMCEQATJNE-UHFFFAOYSA-N 1 2 339.273 3.300 10 5 EGBELO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(O)c1 ZINC001135566629 1377148944 /nfs/dbraw/zinc/14/89/44/1377148944.db2.gz OIGDFIWRYDDJLH-UHFFFAOYSA-N 1 2 338.323 3.047 10 5 EGBELO CC(=O)c1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000368505786 168365610 /nfs/dbraw/zinc/36/56/10/168365610.db2.gz XPBHRJFRYSNOFK-UHFFFAOYSA-N 1 2 340.383 3.273 10 5 EGBELO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000021920819 212263437 /nfs/dbraw/zinc/26/34/37/212263437.db2.gz ACBCRNWERZZORV-ZDUSSCGKSA-N 1 2 336.351 3.272 10 5 EGBELO O=C(C[NH+]1CCCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000012484461 211391725 /nfs/dbraw/zinc/39/17/25/211391725.db2.gz HLGSTFUWJDDKIK-UHFFFAOYSA-N 1 2 346.412 3.143 10 5 EGBELO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767021 218247677 /nfs/dbraw/zinc/24/76/77/218247677.db2.gz LADYSSWKDYAPHX-KEDPEKRHSA-N 1 2 339.386 3.269 10 5 EGBELO CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000093767021 218247679 /nfs/dbraw/zinc/24/76/79/218247679.db2.gz LADYSSWKDYAPHX-KEDPEKRHSA-N 1 2 339.386 3.269 10 5 EGBELO CC(C)c1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1[N+](=O)[O-] ZINC000346894917 156185744 /nfs/dbraw/zinc/18/57/44/156185744.db2.gz MHPUGBNDCDZSLG-UHFFFAOYSA-N 1 2 327.344 3.093 10 5 EGBELO Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000093457704 162010509 /nfs/dbraw/zinc/01/05/09/162010509.db2.gz CGKOTYZDAARKCF-GOSISDBHSA-N 1 2 328.368 3.182 10 5 EGBELO Cc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000093457704 162010510 /nfs/dbraw/zinc/01/05/10/162010510.db2.gz CGKOTYZDAARKCF-GOSISDBHSA-N 1 2 328.368 3.182 10 5 EGBELO Cc1ccn2cc(CNc3nc4ccccc4cc3[N+](=O)[O-])[nH+]c2c1 ZINC000352349298 165357100 /nfs/dbraw/zinc/35/71/00/165357100.db2.gz CKHNFXYRZRXTAB-UHFFFAOYSA-N 1 2 333.351 3.133 10 5 EGBELO Cc1ccc(NC(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000174187324 265029647 /nfs/dbraw/zinc/02/96/47/265029647.db2.gz RXNXOUBNAQKNHB-UHFFFAOYSA-N 1 2 331.376 3.077 10 5 EGBELO CCOc1cccc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000273820876 267116335 /nfs/dbraw/zinc/11/63/35/267116335.db2.gz CRMDBJTXZFIOAM-HIFRSBDPSA-N 1 2 330.388 3.278 10 5 EGBELO CC[N@H+](Cc1ccc(OC)cc1OC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338935675 276141264 /nfs/dbraw/zinc/14/12/64/276141264.db2.gz AENFEPUMKMAUER-UHFFFAOYSA-N 1 2 346.383 3.340 10 5 EGBELO CC[N@@H+](Cc1ccc(OC)cc1OC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338935675 276141265 /nfs/dbraw/zinc/14/12/65/276141265.db2.gz AENFEPUMKMAUER-UHFFFAOYSA-N 1 2 346.383 3.340 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1NCc1ccc(Cn3cc[nH+]c3)cc1)CCN2 ZINC000302445435 308737420 /nfs/dbraw/zinc/73/74/20/308737420.db2.gz NYJWEUQTLIFUSL-UHFFFAOYSA-N 1 2 349.394 3.420 10 5 EGBELO CCC(CC)[C@@H]1C[C@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000447671399 309985447 /nfs/dbraw/zinc/98/54/47/309985447.db2.gz MMRWQRXCDQACJK-WBMJQRKESA-N 1 2 332.404 3.289 10 5 EGBELO O=C(N[C@H]1CCC12CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451188864 310165020 /nfs/dbraw/zinc/16/50/20/310165020.db2.gz FSANLVVHZLONAD-INIZCTEOSA-N 1 2 340.383 3.233 10 5 EGBELO O=[N+]([O-])c1cccc2c1CCN(Cc1c[nH+]cn1Cc1ccccc1)C2 ZINC000526083864 312790512 /nfs/dbraw/zinc/79/05/12/312790512.db2.gz LAKCUVLHSMNZPE-UHFFFAOYSA-N 1 2 348.406 3.398 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@@H](O)c2ccc(F)cc2F)c1 ZINC000058177860 454168554 /nfs/dbraw/zinc/16/85/54/454168554.db2.gz FMHLXRTYWAISDA-MRXNPFEDSA-N 1 2 345.305 3.470 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC000095995284 454256539 /nfs/dbraw/zinc/25/65/39/454256539.db2.gz QOPHQPQGWRMRRN-CQSZACIVSA-N 1 2 343.383 3.015 10 5 EGBELO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000047265347 454349034 /nfs/dbraw/zinc/34/90/34/454349034.db2.gz KLFLKRUGBUPQLY-ZDUSSCGKSA-N 1 2 334.397 3.318 10 5 EGBELO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000047265347 454349038 /nfs/dbraw/zinc/34/90/38/454349038.db2.gz KLFLKRUGBUPQLY-ZDUSSCGKSA-N 1 2 334.397 3.318 10 5 EGBELO COc1cccc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000183329198 455277676 /nfs/dbraw/zinc/27/76/76/455277676.db2.gz HHYPKFVXIKRDGD-IBGZPJMESA-N 1 2 342.395 3.485 10 5 EGBELO COc1cccc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)c1 ZINC000183329198 455277679 /nfs/dbraw/zinc/27/76/79/455277679.db2.gz HHYPKFVXIKRDGD-IBGZPJMESA-N 1 2 342.395 3.485 10 5 EGBELO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000185488430 455565647 /nfs/dbraw/zinc/56/56/47/455565647.db2.gz SMHVVQNWEPMDGX-LBPRGKRZSA-N 1 2 341.346 3.165 10 5 EGBELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248811045 455732226 /nfs/dbraw/zinc/73/22/26/455732226.db2.gz HSHFGVXPNYYUJP-ZBINZKHDSA-N 1 2 338.791 3.022 10 5 EGBELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248811045 455732235 /nfs/dbraw/zinc/73/22/35/455732235.db2.gz HSHFGVXPNYYUJP-ZBINZKHDSA-N 1 2 338.791 3.022 10 5 EGBELO Cc1csc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000195384958 455954637 /nfs/dbraw/zinc/95/46/37/455954637.db2.gz AHMQOFKYDNMVNE-HNNXBMFYSA-N 1 2 333.413 3.242 10 5 EGBELO Cc1csc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000195384958 455954640 /nfs/dbraw/zinc/95/46/40/455954640.db2.gz AHMQOFKYDNMVNE-HNNXBMFYSA-N 1 2 333.413 3.242 10 5 EGBELO CC(C)(C)[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000340566570 456534609 /nfs/dbraw/zinc/53/46/09/456534609.db2.gz DBCHSNUUZVOONM-IUODEOHRSA-N 1 2 328.359 3.102 10 5 EGBELO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000340566570 456534617 /nfs/dbraw/zinc/53/46/17/456534617.db2.gz DBCHSNUUZVOONM-IUODEOHRSA-N 1 2 328.359 3.102 10 5 EGBELO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000324434283 456667298 /nfs/dbraw/zinc/66/72/98/456667298.db2.gz CWWMCSMKRREGHZ-QWHCGFSZSA-N 1 2 329.404 3.325 10 5 EGBELO CCOC(=O)c1sc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1C ZINC000348498338 456717047 /nfs/dbraw/zinc/71/70/47/456717047.db2.gz SZUNKKNZPWTDKA-LLVKDONJSA-N 1 2 349.412 3.387 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000358851565 457006490 /nfs/dbraw/zinc/00/64/90/457006490.db2.gz COQJJJHGYYVCEI-UHFFFAOYSA-N 1 2 341.323 3.145 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc3[nH+]c(C)[nH]c3c2)c1 ZINC000358851565 457006496 /nfs/dbraw/zinc/00/64/96/457006496.db2.gz COQJJJHGYYVCEI-UHFFFAOYSA-N 1 2 341.323 3.145 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000359087770 457052436 /nfs/dbraw/zinc/05/24/36/457052436.db2.gz YBFPOKDGMSSNIT-UHFFFAOYSA-N 1 2 327.388 3.214 10 5 EGBELO COc1ccccc1C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000349946084 457117847 /nfs/dbraw/zinc/11/78/47/457117847.db2.gz RCPCAVFRHGHRRT-UHFFFAOYSA-N 1 2 328.368 3.474 10 5 EGBELO COc1ccccc1C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000349946084 457117854 /nfs/dbraw/zinc/11/78/54/457117854.db2.gz RCPCAVFRHGHRRT-UHFFFAOYSA-N 1 2 328.368 3.474 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000351977662 457325857 /nfs/dbraw/zinc/32/58/57/457325857.db2.gz IXWNJSWJMLCAKE-SFHVURJKSA-N 1 2 346.358 3.316 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000351977662 457325863 /nfs/dbraw/zinc/32/58/63/457325863.db2.gz IXWNJSWJMLCAKE-SFHVURJKSA-N 1 2 346.358 3.316 10 5 EGBELO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000361046747 457542594 /nfs/dbraw/zinc/54/25/94/457542594.db2.gz RJGWQXYWVUHULY-UHFFFAOYSA-N 1 2 329.404 3.207 10 5 EGBELO CC[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000376022444 458167727 /nfs/dbraw/zinc/16/77/27/458167727.db2.gz SQLVUDOBPZYIGI-CJNGLKHVSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000376022444 458167733 /nfs/dbraw/zinc/16/77/33/458167733.db2.gz SQLVUDOBPZYIGI-CJNGLKHVSA-N 1 2 340.807 3.018 10 5 EGBELO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000595892957 459478541 /nfs/dbraw/zinc/47/85/41/459478541.db2.gz VMBYEQSHVHUBIB-SMDDNHRTSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000595892957 459478545 /nfs/dbraw/zinc/47/85/45/459478545.db2.gz VMBYEQSHVHUBIB-SMDDNHRTSA-N 1 2 348.321 3.015 10 5 EGBELO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000574752600 459866596 /nfs/dbraw/zinc/86/65/96/459866596.db2.gz LVSQUXQZNONZAS-CQSZACIVSA-N 1 2 345.424 3.080 10 5 EGBELO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000574752600 459866599 /nfs/dbraw/zinc/86/65/99/459866599.db2.gz LVSQUXQZNONZAS-CQSZACIVSA-N 1 2 345.424 3.080 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000589495316 460094747 /nfs/dbraw/zinc/09/47/47/460094747.db2.gz NOPZNZWPLYTYSE-UHFFFAOYSA-N 1 2 332.331 3.153 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000589495316 460094756 /nfs/dbraw/zinc/09/47/56/460094756.db2.gz NOPZNZWPLYTYSE-UHFFFAOYSA-N 1 2 332.331 3.153 10 5 EGBELO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000599056315 460143486 /nfs/dbraw/zinc/14/34/86/460143486.db2.gz WRWSKPUJIKVMDP-TVQRCGJNSA-N 1 2 341.289 3.299 10 5 EGBELO Cn1cc[nH+]c1[C@H]1N(c2ccc3ncccc3c2[N+](=O)[O-])CC1(C)C ZINC000576670790 460189846 /nfs/dbraw/zinc/18/98/46/460189846.db2.gz SDCYROZNKFAWNS-MRXNPFEDSA-N 1 2 337.383 3.464 10 5 EGBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611223220 460310890 /nfs/dbraw/zinc/31/08/90/460310890.db2.gz HRYJISICJORIIB-UHFFFAOYSA-N 1 2 333.307 3.043 10 5 EGBELO COC(=O)c1ccc(OCc2ccc3[nH]c(C)[nH+]c3c2)cc1[N+](=O)[O-] ZINC000613453037 548120789 /nfs/dbraw/zinc/12/07/89/548120789.db2.gz PDWUUSKXZZAIPE-UHFFFAOYSA-N 1 2 341.323 3.145 10 5 EGBELO COC(=O)c1ccc(OCc2ccc3[nH+]c(C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000613453037 548120810 /nfs/dbraw/zinc/12/08/10/548120810.db2.gz PDWUUSKXZZAIPE-UHFFFAOYSA-N 1 2 341.323 3.145 10 5 EGBELO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000733331739 575328913 /nfs/dbraw/zinc/32/89/13/575328913.db2.gz RQCGPVHZRDFAHF-UHFFFAOYSA-N 1 2 326.381 3.403 10 5 EGBELO C[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000694912970 1298155977 /nfs/dbraw/zinc/15/59/77/1298155977.db2.gz QVSFYUZHJRXLAP-MNOVXSKESA-N 1 2 343.221 3.357 10 5 EGBELO C[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000694912970 1298155982 /nfs/dbraw/zinc/15/59/82/1298155982.db2.gz QVSFYUZHJRXLAP-MNOVXSKESA-N 1 2 343.221 3.357 10 5 EGBELO C[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000878355142 1299940569 /nfs/dbraw/zinc/94/05/69/1299940569.db2.gz FXYGMOMECJZQMA-LLVKDONJSA-N 1 2 343.412 3.303 10 5 EGBELO CC(C)C[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)n1cc[nH+]c1 ZINC000923772916 1322806480 /nfs/dbraw/zinc/80/64/80/1322806480.db2.gz GABKPTKWJMQCRQ-CQSZACIVSA-N 1 2 327.344 3.477 10 5 EGBELO CC(C)(C)OC(=O)NCC1(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001117812865 1371093563 /nfs/dbraw/zinc/09/35/63/1371093563.db2.gz AOKWIMNFLTVOMA-UHFFFAOYSA-N 1 2 347.415 3.215 10 5 EGBELO CC(C)(C)OC(=O)NCC1(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001117812865 1371093566 /nfs/dbraw/zinc/09/35/66/1371093566.db2.gz AOKWIMNFLTVOMA-UHFFFAOYSA-N 1 2 347.415 3.215 10 5 EGBELO C[C@@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC001306962380 1383926541 /nfs/dbraw/zinc/92/65/41/1383926541.db2.gz NPUFVMKTMCGCPB-GHMZBOCLSA-N 1 2 347.337 3.135 10 5 EGBELO C[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001347877452 1391139650 /nfs/dbraw/zinc/13/96/50/1391139650.db2.gz JYUSUFWSBZSDFP-ZDUSSCGKSA-N 1 2 348.362 3.372 10 5 EGBELO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(F)c1 ZINC001349145832 1391306542 /nfs/dbraw/zinc/30/65/42/1391306542.db2.gz UILNFUKYMLTJNY-UHFFFAOYSA-N 1 2 340.314 3.480 10 5 EGBELO C[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC001354775166 1392168283 /nfs/dbraw/zinc/16/82/83/1392168283.db2.gz GTTCHZMYMQPZQP-VNHYZAJKSA-N 1 2 342.399 3.335 10 5 EGBELO CCc1[nH+]c2cc(CNc3ccncc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000338483229 163241932 /nfs/dbraw/zinc/24/19/32/163241932.db2.gz BKIXQXIJCNVECD-UHFFFAOYSA-N 1 2 337.383 3.271 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342362790 163858011 /nfs/dbraw/zinc/85/80/11/163858011.db2.gz QZDLLWWVSUSYMD-UHFFFAOYSA-N 1 2 332.389 3.064 10 5 EGBELO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000351984439 165177228 /nfs/dbraw/zinc/17/72/28/165177228.db2.gz MHDFBCABBIQGKN-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000351984439 165177232 /nfs/dbraw/zinc/17/72/32/165177232.db2.gz MHDFBCABBIQGKN-UHFFFAOYSA-N 1 2 328.368 3.170 10 5 EGBELO COC(=O)c1cc(NCCc2cc[nH+]cc2C)cc(C)c1[N+](=O)[O-] ZINC000269919850 266382229 /nfs/dbraw/zinc/38/22/29/266382229.db2.gz ATHCDPWYIINMNU-UHFFFAOYSA-N 1 2 329.356 3.048 10 5 EGBELO CC(=O)c1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000287718335 276150578 /nfs/dbraw/zinc/15/05/78/276150578.db2.gz FENCVKZXSGSHQG-YVEFUNNKSA-N 1 2 328.372 3.081 10 5 EGBELO COCCC1(C)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000289117872 276293313 /nfs/dbraw/zinc/29/33/13/276293313.db2.gz QMSYRLVQGIYBQJ-UHFFFAOYSA-N 1 2 342.399 3.223 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(F)c1 ZINC000449425317 310061048 /nfs/dbraw/zinc/06/10/48/310061048.db2.gz QAHHLGFNLARTDQ-AEFFLSMTSA-N 1 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ZINC000536671948 314137240 /nfs/dbraw/zinc/13/72/40/314137240.db2.gz VRDBOTJVNFRPLE-UHFFFAOYSA-N 1 2 346.456 3.244 10 5 EGBELO CCCn1c2ccccc2[nH+]c1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000539709289 314330532 /nfs/dbraw/zinc/33/05/32/314330532.db2.gz DOBJKXOWDIJZOP-UHFFFAOYSA-N 1 2 340.383 3.397 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000551315352 315150258 /nfs/dbraw/zinc/15/02/58/315150258.db2.gz UIGQZVDKBKAQBW-LBPRGKRZSA-N 1 2 326.356 3.102 10 5 EGBELO Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-] ZINC000181818892 323505853 /nfs/dbraw/zinc/50/58/53/323505853.db2.gz RBPJCVPFKNRKCQ-NSHDSACASA-N 1 2 328.328 3.397 10 5 EGBELO CO[C@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1C ZINC000425450991 457560105 /nfs/dbraw/zinc/56/01/05/457560105.db2.gz VGZPSWAKEMGFCN-YGRLFVJLSA-N 1 2 343.221 3.214 10 5 EGBELO CO[C@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1C ZINC000425450991 457560112 /nfs/dbraw/zinc/56/01/12/457560112.db2.gz VGZPSWAKEMGFCN-YGRLFVJLSA-N 1 2 343.221 3.214 10 5 EGBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173910376 455340931 /nfs/dbraw/zinc/34/09/31/455340931.db2.gz WUPGTJIJOSSAHE-CYBMUJFWSA-N 1 2 336.351 3.272 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000008120535 453165793 /nfs/dbraw/zinc/16/57/93/453165793.db2.gz SQBLNKDNJDDMJJ-UHFFFAOYSA-N 1 2 331.347 3.113 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000008120535 453165800 /nfs/dbraw/zinc/16/58/00/453165800.db2.gz SQBLNKDNJDDMJJ-UHFFFAOYSA-N 1 2 331.347 3.113 10 5 EGBELO Cc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000032251643 453866210 /nfs/dbraw/zinc/86/62/10/453866210.db2.gz QNTZIAJBOZEQNQ-LBPRGKRZSA-N 1 2 340.339 3.173 10 5 EGBELO Cc1sc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000055696928 454007184 /nfs/dbraw/zinc/00/71/84/454007184.db2.gz UIEJGOSGVBTMRA-UHFFFAOYSA-N 1 2 342.380 3.080 10 5 EGBELO COC(=O)c1oc([C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000089267222 454132034 /nfs/dbraw/zinc/13/20/34/454132034.db2.gz AJOBZVUPCNBABT-GFCCVEGCSA-N 1 2 344.367 3.402 10 5 EGBELO COC(=O)c1oc([C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000089267222 454132037 /nfs/dbraw/zinc/13/20/37/454132037.db2.gz AJOBZVUPCNBABT-GFCCVEGCSA-N 1 2 344.367 3.402 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@H](O)c2ccc(F)cc2F)c1 ZINC000058177859 454168401 /nfs/dbraw/zinc/16/84/01/454168401.db2.gz FMHLXRTYWAISDA-INIZCTEOSA-N 1 2 345.305 3.470 10 5 EGBELO Cc1nc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000073368555 454430288 /nfs/dbraw/zinc/43/02/88/454430288.db2.gz SYCNZYXYEFJPQV-CYBMUJFWSA-N 1 2 346.456 3.239 10 5 EGBELO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000134129501 454505872 /nfs/dbraw/zinc/50/58/72/454505872.db2.gz ICVLAHLWTSGUMK-DYVFJYSZSA-N 1 2 330.388 3.025 10 5 EGBELO C[C@@H]1CN(c2ccc(CNc3ccccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000052218639 454663018 /nfs/dbraw/zinc/66/30/18/454663018.db2.gz 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456300070 /nfs/dbraw/zinc/30/00/70/456300070.db2.gz SWNHYAMTRAKKKX-UHFFFAOYSA-N 1 2 340.383 3.122 10 5 EGBELO CCC1(CC)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000347757895 456353829 /nfs/dbraw/zinc/35/38/29/456353829.db2.gz STNQPSFPMZSBNA-HKPHNFCXSA-N 1 2 336.457 3.231 10 5 EGBELO CCC1(CC)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000347757895 456353833 /nfs/dbraw/zinc/35/38/33/456353833.db2.gz STNQPSFPMZSBNA-HKPHNFCXSA-N 1 2 336.457 3.231 10 5 EGBELO CCc1nc([C@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000363013543 457195786 /nfs/dbraw/zinc/19/57/86/457195786.db2.gz CFEWAHBBLNCALE-OAHLLOKOSA-N 1 2 330.388 3.310 10 5 EGBELO CCc1nc([C@H]2CCCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000363013543 457195790 /nfs/dbraw/zinc/19/57/90/457195790.db2.gz CFEWAHBBLNCALE-OAHLLOKOSA-N 1 2 330.388 3.310 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339772260 457259845 /nfs/dbraw/zinc/25/98/45/457259845.db2.gz RAEVTYZBRVBBPG-KRWDZBQOSA-N 1 2 334.416 3.385 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ZINC000599034975 460133200 /nfs/dbraw/zinc/13/32/00/460133200.db2.gz JTHPZUAQPRJGEW-LLVKDONJSA-N 1 2 340.305 3.192 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000599059188 460146068 /nfs/dbraw/zinc/14/60/68/460146068.db2.gz OQTYVXRTAGCODV-CABCVRRESA-N 1 2 327.384 3.396 10 5 EGBELO Cc1cc[nH+]c([C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)c1 ZINC000599100776 460161440 /nfs/dbraw/zinc/16/14/40/460161440.db2.gz NQRREEWEZHKDAQ-CQSZACIVSA-N 1 2 342.399 3.474 10 5 EGBELO Cc1cc(N[C@@H]2C[C@H]2C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000619698232 460417459 /nfs/dbraw/zinc/41/74/59/460417459.db2.gz PTGNDAYAVNNQHY-VXGBXAGGSA-N 1 2 338.289 3.145 10 5 EGBELO CC(C)(C(=O)Nc1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1F ZINC000612997987 460798510 /nfs/dbraw/zinc/79/85/10/460798510.db2.gz SDYWYVZDUBMBJV-UHFFFAOYSA-N 1 2 342.330 3.298 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000613300120 460901279 /nfs/dbraw/zinc/90/12/79/460901279.db2.gz 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O=[N+]([O-])c1cc(C[NH+]2CCC(c3nc(C4CC4)n[nH]3)CC2)cs1 ZINC000069010798 215352652 /nfs/dbraw/zinc/35/26/52/215352652.db2.gz REHIKVKWBSVGRJ-UHFFFAOYSA-N 1 2 333.417 3.031 10 5 EGBELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000090014522 283055920 /nfs/dbraw/zinc/05/59/20/283055920.db2.gz ZAVXCAOAXQEOFK-DOMZBBRYSA-N 1 2 349.774 3.016 10 5 EGBELO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000090014522 283055924 /nfs/dbraw/zinc/05/59/24/283055924.db2.gz ZAVXCAOAXQEOFK-DOMZBBRYSA-N 1 2 349.774 3.016 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189744313 153094323 /nfs/dbraw/zinc/09/43/23/153094323.db2.gz ZSYPLJKOECZELN-ZDUSSCGKSA-N 1 2 341.415 3.079 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000338890350 163376424 /nfs/dbraw/zinc/37/64/24/163376424.db2.gz PVUZWHQXVMQLET-UHFFFAOYSA-N 1 2 326.352 3.295 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000338890350 163376425 /nfs/dbraw/zinc/37/64/25/163376425.db2.gz PVUZWHQXVMQLET-UHFFFAOYSA-N 1 2 326.352 3.295 10 5 EGBELO Cc1[nH+]c2ccccc2n1CCCCCn1cccc([N+](=O)[O-])c1=O ZINC000359181579 167089481 /nfs/dbraw/zinc/08/94/81/167089481.db2.gz ZEWYYEVELZBKIR-UHFFFAOYSA-N 1 2 340.383 3.285 10 5 EGBELO CC[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000177797059 265278470 /nfs/dbraw/zinc/27/84/70/265278470.db2.gz IDJNEYSYZMCPAF-INIZCTEOSA-N 1 2 338.367 3.053 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000302185927 308732455 /nfs/dbraw/zinc/73/24/55/308732455.db2.gz UFPAZGMRYCSZPJ-UHFFFAOYSA-N 1 2 346.818 3.274 10 5 EGBELO CC[C@@H]1C[C@@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000420623370 309290669 /nfs/dbraw/zinc/29/06/69/309290669.db2.gz VBIUHHKMKWRKPV-GOEBONIOSA-N 1 2 342.399 3.152 10 5 EGBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000449859533 310091207 /nfs/dbraw/zinc/09/12/07/310091207.db2.gz HFGIWKDYZZQTBG-GFCCVEGCSA-N 1 2 328.372 3.089 10 5 EGBELO CCOC(=O)c1cc(NCCc2[nH+]cccc2C)ccc1[N+](=O)[O-] ZINC000450737268 310140059 /nfs/dbraw/zinc/14/00/59/310140059.db2.gz IUVOWOSVRJRFBO-UHFFFAOYSA-N 1 2 329.356 3.130 10 5 EGBELO C[C@H]1C[C@H](C)[NH+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562066222 315798066 /nfs/dbraw/zinc/79/80/66/315798066.db2.gz GGKUHDDSCMCOOI-IUCAKERBSA-N 1 2 346.168 3.182 10 5 EGBELO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172021573 323265981 /nfs/dbraw/zinc/26/59/81/323265981.db2.gz JNLLIBRJSGGTNR-AWEZNQCLSA-N 1 2 339.823 3.081 10 5 EGBELO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172021573 323265985 /nfs/dbraw/zinc/26/59/85/323265985.db2.gz JNLLIBRJSGGTNR-AWEZNQCLSA-N 1 2 339.823 3.081 10 5 EGBELO C[NH+](C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000006881845 453002696 /nfs/dbraw/zinc/00/26/96/453002696.db2.gz NXHKZFOTLVIQGC-ZDUSSCGKSA-N 1 2 338.770 3.497 10 5 EGBELO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000616764483 460617362 /nfs/dbraw/zinc/61/73/62/460617362.db2.gz HASQKYCBKCTXFL-CYBMUJFWSA-N 1 2 338.404 3.156 10 5 EGBELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000616764483 460617365 /nfs/dbraw/zinc/61/73/65/460617365.db2.gz HASQKYCBKCTXFL-CYBMUJFWSA-N 1 2 338.404 3.156 10 5 EGBELO O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@@H](O)c2ccccc2F)c1 ZINC000058268249 454176112 /nfs/dbraw/zinc/17/61/12/454176112.db2.gz KZDOIJIXWFCIGD-MRXNPFEDSA-N 1 2 327.315 3.331 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000093388304 454710337 /nfs/dbraw/zinc/71/03/37/454710337.db2.gz SNFJIVPMQJXGBP-IBGZPJMESA-N 1 2 342.395 3.172 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000093388304 454710343 /nfs/dbraw/zinc/71/03/43/454710343.db2.gz SNFJIVPMQJXGBP-IBGZPJMESA-N 1 2 342.395 3.172 10 5 EGBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000125005774 454789803 /nfs/dbraw/zinc/78/98/03/454789803.db2.gz GAIZULGNWOXVLM-ABAIWWIYSA-N 1 2 348.790 3.168 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160600941 455478935 /nfs/dbraw/zinc/47/89/35/455478935.db2.gz HTXFXIOUHFMLGZ-MRXNPFEDSA-N 1 2 341.415 3.250 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160600941 455478941 /nfs/dbraw/zinc/47/89/41/455478941.db2.gz HTXFXIOUHFMLGZ-MRXNPFEDSA-N 1 2 341.415 3.250 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160601048 455479134 /nfs/dbraw/zinc/47/91/34/455479134.db2.gz HTXFXIOUHFMLGZ-INIZCTEOSA-N 1 2 341.415 3.250 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160601048 455479137 /nfs/dbraw/zinc/47/91/37/455479137.db2.gz HTXFXIOUHFMLGZ-INIZCTEOSA-N 1 2 341.415 3.250 10 5 EGBELO CC(C)c1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000188101302 455996961 /nfs/dbraw/zinc/99/69/61/455996961.db2.gz MVEHVNLFQPQIKZ-UHFFFAOYSA-N 1 2 342.399 3.109 10 5 EGBELO C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000297344673 456192645 /nfs/dbraw/zinc/19/26/45/456192645.db2.gz BCRPPYCDLONUFP-GUYCJALGSA-N 1 2 337.383 3.427 10 5 EGBELO Cc1c(CNc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)cnn1C ZINC000301847864 456231722 /nfs/dbraw/zinc/23/17/22/456231722.db2.gz VDWJEZWKLJNGMT-UHFFFAOYSA-N 1 2 338.371 3.014 10 5 EGBELO C[C@@H]1CN(c2ccc(CNc3sccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000302003237 456267692 /nfs/dbraw/zinc/26/76/92/456267692.db2.gz TUITWFAYLPZARU-TXEJJXNPSA-N 1 2 348.428 3.277 10 5 EGBELO Cc1cc(N(C)[C@H]2CC[C@H](O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275903904 456346522 /nfs/dbraw/zinc/34/65/22/456346522.db2.gz NPTOONXAHWDKSI-KOMQPUFPSA-N 1 2 342.399 3.100 10 5 EGBELO COC(=O)c1cc(NCCCc2cccc(C)[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000343236140 456472212 /nfs/dbraw/zinc/47/22/12/456472212.db2.gz GMYDOMWNXZSPPT-UHFFFAOYSA-N 1 2 343.383 3.438 10 5 EGBELO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccnc2)no1)c1ccccc1[N+](=O)[O-] ZINC000340901308 456749430 /nfs/dbraw/zinc/74/94/30/456749430.db2.gz OWUWBXHHGLAYIX-NEPJUHHUSA-N 1 2 339.355 3.452 10 5 EGBELO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000339008957 456898523 /nfs/dbraw/zinc/89/85/23/456898523.db2.gz DLXQRBVLPMUOMM-KRWDZBQOSA-N 1 2 344.411 3.380 10 5 EGBELO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000339008957 456898527 /nfs/dbraw/zinc/89/85/27/456898527.db2.gz DLXQRBVLPMUOMM-KRWDZBQOSA-N 1 2 344.411 3.380 10 5 EGBELO Cn1cc([C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])c2ccccc2)cn1 ZINC000369910716 457457081 /nfs/dbraw/zinc/45/70/81/457457081.db2.gz VMFWHUCQBKKEIS-SFHVURJKSA-N 1 2 340.358 3.347 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000540907981 459401120 /nfs/dbraw/zinc/40/11/20/459401120.db2.gz UESJFCULWHACOX-LJQANCHMSA-N 1 2 342.395 3.485 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000540907981 459401123 /nfs/dbraw/zinc/40/11/23/459401123.db2.gz UESJFCULWHACOX-LJQANCHMSA-N 1 2 342.395 3.485 10 5 EGBELO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888204 459475086 /nfs/dbraw/zinc/47/50/86/459475086.db2.gz CVMUDOROPANFRK-BXUZGUMPSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595888204 459475093 /nfs/dbraw/zinc/47/50/93/459475093.db2.gz CVMUDOROPANFRK-BXUZGUMPSA-N 1 2 348.321 3.015 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccccc2OC)CC1 ZINC000592143292 459535698 /nfs/dbraw/zinc/53/56/98/459535698.db2.gz SWKWWCMGBCWDGJ-UHFFFAOYSA-N 1 2 328.368 3.391 10 5 EGBELO COc1cc(NCc2ccc[nH+]c2N2CCCC2)c([N+](=O)[O-])cc1F ZINC000596357160 459606315 /nfs/dbraw/zinc/60/63/15/459606315.db2.gz MFAXAFVDXBZXTJ-UHFFFAOYSA-N 1 2 346.362 3.350 10 5 EGBELO CC[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904740 459610085 /nfs/dbraw/zinc/61/00/85/459610085.db2.gz KHYRKXOBYOXIAY-OCCSQVGLSA-N 1 2 327.375 3.317 10 5 EGBELO CC[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904740 459610090 /nfs/dbraw/zinc/61/00/90/459610090.db2.gz KHYRKXOBYOXIAY-OCCSQVGLSA-N 1 2 327.375 3.317 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC000543899218 459711709 /nfs/dbraw/zinc/71/17/09/459711709.db2.gz UXGAEGSBHCOBNU-UHFFFAOYSA-N 1 2 326.312 3.012 10 5 EGBELO Cc1cc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)cc([N+](=O)[O-])c1 ZINC000593301631 459834453 /nfs/dbraw/zinc/83/44/53/459834453.db2.gz HZSWTGCEWVALRV-UHFFFAOYSA-N 1 2 339.355 3.077 10 5 EGBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609618946 459995902 /nfs/dbraw/zinc/99/59/02/459995902.db2.gz MFCGYXMZLWADRE-LLVKDONJSA-N 1 2 342.380 3.362 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000589494364 460095259 /nfs/dbraw/zinc/09/52/59/460095259.db2.gz LWKDKFPXXDRLRM-MRXNPFEDSA-N 1 2 326.352 3.328 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000589494364 460095263 /nfs/dbraw/zinc/09/52/63/460095263.db2.gz LWKDKFPXXDRLRM-MRXNPFEDSA-N 1 2 326.352 3.328 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000589502789 460097188 /nfs/dbraw/zinc/09/71/88/460097188.db2.gz AQBSEEWYCNYFJV-MRXNPFEDSA-N 1 2 344.342 3.468 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000589502789 460097195 /nfs/dbraw/zinc/09/71/95/460097195.db2.gz AQBSEEWYCNYFJV-MRXNPFEDSA-N 1 2 344.342 3.468 10 5 EGBELO CCC(C)(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597954294 460126258 /nfs/dbraw/zinc/12/62/58/460126258.db2.gz IDBQRUBSGQWUSY-GFCCVEGCSA-N 1 2 330.388 3.335 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCSC2(CCOCC2)C1 ZINC000599068348 460148612 /nfs/dbraw/zinc/14/86/12/460148612.db2.gz NNOVSFMSKXUUSX-UHFFFAOYSA-N 1 2 345.424 3.245 10 5 EGBELO O=[N+]([O-])c1c(NCCCO[C@@H]2CCCCO2)ccc2c[nH+]ccc21 ZINC000599071189 460150728 /nfs/dbraw/zinc/15/07/28/460150728.db2.gz QAQQVQKGAGDGRN-MRXNPFEDSA-N 1 2 331.372 3.488 10 5 EGBELO C[S@](=O)[C@H]1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599100364 460161263 /nfs/dbraw/zinc/16/12/63/460161263.db2.gz CJQKGYOFFDEQNN-PSVOKBTDSA-N 1 2 333.413 3.245 10 5 EGBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)s1 ZINC000599178181 460189551 /nfs/dbraw/zinc/18/95/51/460189551.db2.gz CNDMMWMPEZOOED-UHFFFAOYSA-N 1 2 342.424 3.460 10 5 EGBELO O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3cccnn3)CC2)ccc1Cl ZINC000153793609 534879905 /nfs/dbraw/zinc/87/99/05/534879905.db2.gz DHAPXNXLOLZNPZ-UHFFFAOYSA-N 1 2 347.806 3.115 10 5 EGBELO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000727770831 574689309 /nfs/dbraw/zinc/68/93/09/574689309.db2.gz JHGHUOLULGWTSC-UHFFFAOYSA-N 1 2 349.778 3.031 10 5 EGBELO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1[nH+]ccn1CC(F)(F)F ZINC000742258605 576763636 /nfs/dbraw/zinc/76/36/36/576763636.db2.gz JNBSICCPMLMICV-JTQLQIEISA-N 1 2 340.305 3.305 10 5 EGBELO CC[N@H+](C)[C@@H](C(=O)OCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000745103060 576841342 /nfs/dbraw/zinc/84/13/42/576841342.db2.gz ZGNIPZBNKWLFEN-OAHLLOKOSA-N 1 2 334.397 3.393 10 5 EGBELO CC[N@@H+](C)[C@@H](C(=O)OCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000745103060 576841343 /nfs/dbraw/zinc/84/13/43/576841343.db2.gz ZGNIPZBNKWLFEN-OAHLLOKOSA-N 1 2 334.397 3.393 10 5 EGBELO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025320 1296667631 /nfs/dbraw/zinc/66/76/31/1296667631.db2.gz KPOAMPBTEYFASU-ZDUSSCGKSA-N 1 2 345.374 3.043 10 5 EGBELO COCCOc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872025837 1296671541 /nfs/dbraw/zinc/67/15/41/1296671541.db2.gz UNSQSGNXOGARHG-LBPRGKRZSA-N 1 2 349.362 3.005 10 5 EGBELO C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872087510 1296727360 /nfs/dbraw/zinc/72/73/60/1296727360.db2.gz IZRFSSOUAGFFFM-JOYOIKCWSA-N 1 2 346.284 3.385 10 5 EGBELO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001323865762 1387482517 /nfs/dbraw/zinc/48/25/17/1387482517.db2.gz MAPQKSGYUSRJHF-WYPFBEBGSA-N 1 2 345.226 3.494 10 5 EGBELO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001323865762 1387482519 /nfs/dbraw/zinc/48/25/19/1387482519.db2.gz MAPQKSGYUSRJHF-WYPFBEBGSA-N 1 2 345.226 3.494 10 5 EGBELO CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC001128281774 1373245901 /nfs/dbraw/zinc/24/59/01/1373245901.db2.gz AFSVOPJVZFDQAH-STQMWFEESA-N 1 2 328.372 3.041 10 5 EGBELO Cc1cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])ccc1-n1cc[nH+]c1 ZINC001136624640 1377410607 /nfs/dbraw/zinc/41/06/07/1377410607.db2.gz CULOPBDLWGHOQI-UHFFFAOYSA-N 1 2 340.314 3.480 10 5 EGBELO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001142588771 1378461920 /nfs/dbraw/zinc/46/19/20/1378461920.db2.gz FSPTUTQFHXNVKD-UHFFFAOYSA-N 1 2 326.287 3.376 10 5 EGBELO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001348558101 1391237171 /nfs/dbraw/zinc/23/71/71/1391237171.db2.gz IZSFXJCBSGPSFC-UHFFFAOYSA-N 1 2 348.790 3.066 10 5 EGBELO O=C(Oc1ccccc1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001351450574 1391640386 /nfs/dbraw/zinc/64/03/86/1391640386.db2.gz NWMFHMFUXKIADL-UHFFFAOYSA-N 1 2 327.271 3.139 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000361724352 278312843 /nfs/dbraw/zinc/31/28/43/278312843.db2.gz BSZQIOUALOPYKE-FZKQIMNGSA-N 1 2 328.368 3.435 10 5 EGBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000361724352 278312845 /nfs/dbraw/zinc/31/28/45/278312845.db2.gz BSZQIOUALOPYKE-FZKQIMNGSA-N 1 2 328.368 3.435 10 5 EGBELO CC[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000255494395 308051426 /nfs/dbraw/zinc/05/14/26/308051426.db2.gz LADYSSWKDYAPHX-PKYBCLHXSA-N 1 2 339.386 3.269 10 5 EGBELO CC[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000255494395 308051427 /nfs/dbraw/zinc/05/14/27/308051427.db2.gz LADYSSWKDYAPHX-PKYBCLHXSA-N 1 2 339.386 3.269 10 5 EGBELO CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000255494397 308051556 /nfs/dbraw/zinc/05/15/56/308051556.db2.gz LADYSSWKDYAPHX-ZQMJAJRESA-N 1 2 339.386 3.269 10 5 EGBELO CC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000255494397 308051558 /nfs/dbraw/zinc/05/15/58/308051558.db2.gz LADYSSWKDYAPHX-ZQMJAJRESA-N 1 2 339.386 3.269 10 5 EGBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc2[nH+]ccn21 ZINC000439173454 309827854 /nfs/dbraw/zinc/82/78/54/309827854.db2.gz UFZHZOOQAHBOOE-UHFFFAOYSA-N 1 2 330.731 3.457 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000158141588 455273972 /nfs/dbraw/zinc/27/39/72/455273972.db2.gz JWIZKCAFSDJWGW-DAXOMENPSA-N 1 2 340.807 3.017 10 5 EGBELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000158141588 455273976 /nfs/dbraw/zinc/27/39/76/455273976.db2.gz JWIZKCAFSDJWGW-DAXOMENPSA-N 1 2 340.807 3.017 10 5 EGBELO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153204289 454770539 /nfs/dbraw/zinc/77/05/39/454770539.db2.gz SPBLNNPNLRLOFD-CQSZACIVSA-N 1 2 339.395 3.289 10 5 EGBELO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153204289 454770541 /nfs/dbraw/zinc/77/05/41/454770541.db2.gz SPBLNNPNLRLOFD-CQSZACIVSA-N 1 2 339.395 3.289 10 5 EGBELO Cc1ccc(NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000153284550 454778323 /nfs/dbraw/zinc/77/83/23/454778323.db2.gz JOIUTJXQMJTSGS-UHFFFAOYSA-N 1 2 339.395 3.208 10 5 EGBELO Cc1ccc(NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c1 ZINC000153284550 454778325 /nfs/dbraw/zinc/77/83/25/454778325.db2.gz JOIUTJXQMJTSGS-UHFFFAOYSA-N 1 2 339.395 3.208 10 5 EGBELO C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000125648798 454837041 /nfs/dbraw/zinc/83/70/41/454837041.db2.gz ICGSKPDHDIQCQS-XHDPSFHLSA-N 1 2 348.790 3.168 10 5 EGBELO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000301259570 456074072 /nfs/dbraw/zinc/07/40/72/456074072.db2.gz OGHTWGCWQWHBPI-LBPRGKRZSA-N 1 2 348.353 3.345 10 5 EGBELO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000301259570 456074079 /nfs/dbraw/zinc/07/40/79/456074079.db2.gz OGHTWGCWQWHBPI-LBPRGKRZSA-N 1 2 348.353 3.345 10 5 EGBELO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000301381084 456102703 /nfs/dbraw/zinc/10/27/03/456102703.db2.gz UMGXMYMLYJPCIK-GFCCVEGCSA-N 1 2 340.221 3.032 10 5 EGBELO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c(Br)c1 ZINC000301381084 456102707 /nfs/dbraw/zinc/10/27/07/456102707.db2.gz UMGXMYMLYJPCIK-GFCCVEGCSA-N 1 2 340.221 3.032 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC1(F)CCC1 ZINC000340913484 456756963 /nfs/dbraw/zinc/75/69/63/456756963.db2.gz MOOQLBMJCJEKEV-UHFFFAOYSA-N 1 2 337.395 3.121 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000339065541 456924591 /nfs/dbraw/zinc/92/45/91/456924591.db2.gz GQFPFISBBIHTOK-RDTXWAMCSA-N 1 2 328.368 3.168 10 5 EGBELO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000356469383 457005776 /nfs/dbraw/zinc/00/57/76/457005776.db2.gz YGRHKWZSQUASLM-UHFFFAOYSA-N 1 2 349.456 3.017 10 5 EGBELO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000595607191 459364394 /nfs/dbraw/zinc/36/43/94/459364394.db2.gz UNSFKTTYXDJVJP-GFCCVEGCSA-N 1 2 338.404 3.156 10 5 EGBELO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)C(=O)OC(C)(C)C ZINC000595607191 459364396 /nfs/dbraw/zinc/36/43/96/459364396.db2.gz UNSFKTTYXDJVJP-GFCCVEGCSA-N 1 2 338.404 3.156 10 5 EGBELO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000595892952 459478479 /nfs/dbraw/zinc/47/84/79/459478479.db2.gz VMBYEQSHVHUBIB-BXUZGUMPSA-N 1 2 348.321 3.015 10 5 EGBELO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000595892952 459478481 /nfs/dbraw/zinc/47/84/81/459478481.db2.gz VMBYEQSHVHUBIB-BXUZGUMPSA-N 1 2 348.321 3.015 10 5 EGBELO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000541775445 459491375 /nfs/dbraw/zinc/49/13/75/459491375.db2.gz OJYFRKCRGVCHGS-UHFFFAOYSA-N 1 2 342.395 3.121 10 5 EGBELO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000541775445 459491377 /nfs/dbraw/zinc/49/13/77/459491377.db2.gz OJYFRKCRGVCHGS-UHFFFAOYSA-N 1 2 342.395 3.121 10 5 EGBELO COC(=O)C[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000596491323 459655141 /nfs/dbraw/zinc/65/51/41/459655141.db2.gz GIJXYDIQRCIQKU-ZDUSSCGKSA-N 1 2 329.356 3.144 10 5 EGBELO CCc1cc[nH+]cc1N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593679138 459948139 /nfs/dbraw/zinc/94/81/39/459948139.db2.gz BJNQXZNGCGBIRC-LBPRGKRZSA-N 1 2 328.372 3.381 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000597630541 460012463 /nfs/dbraw/zinc/01/24/63/460012463.db2.gz DJNHCKQLTRQONS-LLVKDONJSA-N 1 2 342.399 3.359 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000597630541 460012472 /nfs/dbraw/zinc/01/24/72/460012472.db2.gz DJNHCKQLTRQONS-LLVKDONJSA-N 1 2 342.399 3.359 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](C2CCOCC2)C1 ZINC000599057286 460143390 /nfs/dbraw/zinc/14/33/90/460143390.db2.gz BNNHEMFSRPYHED-HNNXBMFYSA-N 1 2 327.384 3.396 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000599083834 460155234 /nfs/dbraw/zinc/15/52/34/460155234.db2.gz YANKPLGHFDMGJC-CYBMUJFWSA-N 1 2 343.774 3.444 10 5 EGBELO Cc1cc[nH+]c([C@@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)c1 ZINC000599103670 460161988 /nfs/dbraw/zinc/16/19/88/460161988.db2.gz XRPSKCIHHUMWDU-CYBMUJFWSA-N 1 2 335.367 3.235 10 5 EGBELO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(CO)ccc1F)C1CC1 ZINC000599333850 460231521 /nfs/dbraw/zinc/23/15/21/460231521.db2.gz AFRHANYCABIXPC-UHFFFAOYSA-N 1 2 330.359 3.391 10 5 EGBELO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(CO)ccc1F)C1CC1 ZINC000599333850 460231524 /nfs/dbraw/zinc/23/15/24/460231524.db2.gz AFRHANYCABIXPC-UHFFFAOYSA-N 1 2 330.359 3.391 10 5 EGBELO O=c1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000599642905 460295472 /nfs/dbraw/zinc/29/54/72/460295472.db2.gz XLENFVLWZFDANH-CQSZACIVSA-N 1 2 334.763 3.081 10 5 EGBELO O=c1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000599642905 460295475 /nfs/dbraw/zinc/29/54/75/460295475.db2.gz XLENFVLWZFDANH-CQSZACIVSA-N 1 2 334.763 3.081 10 5 EGBELO CC[C@@H]([NH2+]Cc1csc(NC(C)=O)n1)c1cccc([N+](=O)[O-])c1 ZINC000181537297 529189619 /nfs/dbraw/zinc/18/96/19/529189619.db2.gz HRAUGFPGAKACIT-CQSZACIVSA-N 1 2 334.401 3.251 10 5 EGBELO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1c(C)nn(C)c1C ZINC000351730555 535805137 /nfs/dbraw/zinc/80/51/37/535805137.db2.gz PUFVEZWPTAUKBE-OAHLLOKOSA-N 1 2 338.358 3.464 10 5 EGBELO O=C(NCC1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000031812409 546536255 /nfs/dbraw/zinc/53/62/55/546536255.db2.gz FZOMODCJEFJLFG-UHFFFAOYSA-N 1 2 328.372 3.091 10 5 EGBELO O=[N+]([O-])c1nn(C[N@@H+]2CCC3(C2)CCCCC3)cc1Br ZINC000742166342 576754157 /nfs/dbraw/zinc/75/41/57/576754157.db2.gz OOQGFBKYAMPYCI-UHFFFAOYSA-N 1 2 343.225 3.168 10 5 EGBELO O=[N+]([O-])c1nn(C[N@H+]2CCC3(C2)CCCCC3)cc1Br ZINC000742166342 576754159 /nfs/dbraw/zinc/75/41/59/576754159.db2.gz OOQGFBKYAMPYCI-UHFFFAOYSA-N 1 2 343.225 3.168 10 5 EGBELO C[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000878355143 1299940699 /nfs/dbraw/zinc/94/06/99/1299940699.db2.gz FXYGMOMECJZQMA-NSHDSACASA-N 1 2 343.412 3.303 10 5 EGBELO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867628412 1330211715 /nfs/dbraw/zinc/21/17/15/1330211715.db2.gz ZZNJHFBMTHXCQG-UHFFFAOYSA-N 1 2 341.414 3.047 10 5 EGBELO Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC001192451738 1367785332 /nfs/dbraw/zinc/78/53/32/1367785332.db2.gz ATYDLLHODAPLHK-UHFFFAOYSA-N 1 2 329.375 3.365 10 5 EGBELO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC001350904179 1391555263 /nfs/dbraw/zinc/55/52/63/1391555263.db2.gz FGQPMQTYRCVWBJ-LBPRGKRZSA-N 1 2 346.387 3.159 10 5 EGBELO CCc1c[nH+]ccc1NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000349148169 156369619 /nfs/dbraw/zinc/36/96/19/156369619.db2.gz IZWPELRSVXRPBW-UHFFFAOYSA-N 1 2 339.273 3.245 10 5 EGBELO CC(F)(F)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450553692 310129804 /nfs/dbraw/zinc/12/98/04/310129804.db2.gz JFODYQFQFCWTNC-UHFFFAOYSA-N 1 2 343.374 3.274 10 5 EGBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451276457 310169376 /nfs/dbraw/zinc/16/93/76/310169376.db2.gz ZGLUEULCTNIIIF-YJBOKZPZSA-N 1 2 348.349 3.034 10 5 EGBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451276457 310169377 /nfs/dbraw/zinc/16/93/77/310169377.db2.gz ZGLUEULCTNIIIF-YJBOKZPZSA-N 1 2 348.349 3.034 10 5 EGBELO CC[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000455487807 310363427 /nfs/dbraw/zinc/36/34/27/310363427.db2.gz QMNYOJVTBMOTPH-BYCMXARLSA-N 1 2 343.387 3.248 10 5 EGBELO O=[N+]([O-])c1cnc2ccccc2c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000487934083 311043417 /nfs/dbraw/zinc/04/34/17/311043417.db2.gz WBAHNYIOSOYIRY-UHFFFAOYSA-N 1 2 349.394 3.041 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1C ZINC000488116278 311051813 /nfs/dbraw/zinc/05/18/13/311051813.db2.gz XMCAIZDWLOYTNZ-UHFFFAOYSA-N 1 2 345.374 3.421 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccc(F)cc1C ZINC000488116278 311051814 /nfs/dbraw/zinc/05/18/14/311051814.db2.gz XMCAIZDWLOYTNZ-UHFFFAOYSA-N 1 2 345.374 3.421 10 5 EGBELO Cc1cc(N[C@H]2CSC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000549219520 315082255 /nfs/dbraw/zinc/08/22/55/315082255.db2.gz OPIBLNQSUJFWHJ-ZDUSSCGKSA-N 1 2 330.413 3.088 10 5 EGBELO Cc1nc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000578450488 324971027 /nfs/dbraw/zinc/97/10/27/324971027.db2.gz CBGNJFMEXCHMFM-OAHLLOKOSA-N 1 2 348.790 3.193 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000157871696 455242463 /nfs/dbraw/zinc/24/24/63/455242463.db2.gz WXTHODLGDSTAHF-HNNXBMFYSA-N 1 2 334.397 3.109 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000157871696 455242465 /nfs/dbraw/zinc/24/24/65/455242465.db2.gz WXTHODLGDSTAHF-HNNXBMFYSA-N 1 2 334.397 3.109 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000007731317 453108855 /nfs/dbraw/zinc/10/88/55/453108855.db2.gz WICQZWRNFHSRHM-LBPRGKRZSA-N 1 2 331.347 3.365 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000007731317 453108864 /nfs/dbraw/zinc/10/88/64/453108864.db2.gz WICQZWRNFHSRHM-LBPRGKRZSA-N 1 2 331.347 3.365 10 5 EGBELO CC1CCN(c2ccc(CNc3ccncc3[N+](=O)[O-])c[nH+]2)CC1 ZINC000066809281 453876036 /nfs/dbraw/zinc/87/60/36/453876036.db2.gz ANFZAUJAYNKBJP-UHFFFAOYSA-N 1 2 327.388 3.233 10 5 EGBELO COc1cc(CNc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])cc1O ZINC000089420841 454147593 /nfs/dbraw/zinc/14/75/93/454147593.db2.gz OUWCPSBOHJTHFI-UHFFFAOYSA-N 1 2 340.339 3.107 10 5 EGBELO Cc1nc(CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000073368554 454429770 /nfs/dbraw/zinc/42/97/70/454429770.db2.gz SYCNZYXYEFJPQV-ZDUSSCGKSA-N 1 2 346.456 3.239 10 5 EGBELO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCCCC1 ZINC000135226257 454650571 /nfs/dbraw/zinc/65/05/71/454650571.db2.gz FXGJJVHRBDRKKO-UHFFFAOYSA-N 1 2 331.416 3.008 10 5 EGBELO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCCCC1 ZINC000135226257 454650577 /nfs/dbraw/zinc/65/05/77/454650577.db2.gz FXGJJVHRBDRKKO-UHFFFAOYSA-N 1 2 331.416 3.008 10 5 EGBELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000106374017 454692822 /nfs/dbraw/zinc/69/28/22/454692822.db2.gz SIUUKLBDTRBRGZ-UHFFFAOYSA-N 1 2 332.379 3.149 10 5 EGBELO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153402936 454790526 /nfs/dbraw/zinc/79/05/26/454790526.db2.gz YJSDRESHKHJITR-ZBFHGGJFSA-N 1 2 345.443 3.133 10 5 EGBELO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153402936 454790528 /nfs/dbraw/zinc/79/05/28/454790528.db2.gz YJSDRESHKHJITR-ZBFHGGJFSA-N 1 2 345.443 3.133 10 5 EGBELO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000185057096 455493265 /nfs/dbraw/zinc/49/32/65/455493265.db2.gz QEHTYPRAHBKLCY-LBPRGKRZSA-N 1 2 334.401 3.039 10 5 EGBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938800 455342654 /nfs/dbraw/zinc/34/26/54/455342654.db2.gz WZPDHUYMEXGAJR-LLVKDONJSA-N 1 2 342.380 3.333 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265832368 455389889 /nfs/dbraw/zinc/38/98/89/455389889.db2.gz DJINEJASYSVGIH-CYBMUJFWSA-N 1 2 348.424 3.191 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265832368 455389892 /nfs/dbraw/zinc/38/98/92/455389892.db2.gz DJINEJASYSVGIH-CYBMUJFWSA-N 1 2 348.424 3.191 10 5 EGBELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185273568 455533042 /nfs/dbraw/zinc/53/30/42/455533042.db2.gz NQZCLEDQUBWIQD-LBPRGKRZSA-N 1 2 348.378 3.006 10 5 EGBELO CC1(C)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280366707 455955894 /nfs/dbraw/zinc/95/58/94/455955894.db2.gz UVVIWZQTGSIPKY-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280366707 455955896 /nfs/dbraw/zinc/95/58/96/455955896.db2.gz UVVIWZQTGSIPKY-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO CCc1cc(N[C@H](C)[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301357640 456097774 /nfs/dbraw/zinc/09/77/74/456097774.db2.gz NQUXBUMUCLULLW-NWDGAFQWSA-N 1 2 330.388 3.043 10 5 EGBELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601136933 460726267 /nfs/dbraw/zinc/72/62/67/460726267.db2.gz NFBAAQFQLNXFRV-LBPRGKRZSA-N 1 2 348.353 3.151 10 5 EGBELO O=[N+]([O-])c1ccc(F)cc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000302788031 456401413 /nfs/dbraw/zinc/40/14/13/456401413.db2.gz BSHBYYXQHWFWFT-GOSISDBHSA-N 1 2 345.374 3.219 10 5 EGBELO Cc1cn2cc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)ccc2[nH+]1 ZINC000339269366 457030485 /nfs/dbraw/zinc/03/04/85/457030485.db2.gz FOHWDBLNAVMVQZ-UHFFFAOYSA-N 1 2 335.323 3.285 10 5 EGBELO Cc1nc2[nH]ccc2c(NCCc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000349916315 457106533 /nfs/dbraw/zinc/10/65/33/457106533.db2.gz ODONJFWGMGLEJV-UHFFFAOYSA-N 1 2 331.763 3.434 10 5 EGBELO COc1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c([N+](=O)[O-])cc1F ZINC000339773918 457261137 /nfs/dbraw/zinc/26/11/37/457261137.db2.gz YNMFAUKHOHJCGA-AWEZNQCLSA-N 1 2 338.379 3.134 10 5 EGBELO COc1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c([N+](=O)[O-])cc1F ZINC000339773918 457261144 /nfs/dbraw/zinc/26/11/44/457261144.db2.gz YNMFAUKHOHJCGA-AWEZNQCLSA-N 1 2 338.379 3.134 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000352544612 457454053 /nfs/dbraw/zinc/45/40/53/457454053.db2.gz BKYUTKWXHLKATI-MRXNPFEDSA-N 1 2 334.397 3.238 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000352544612 457454054 /nfs/dbraw/zinc/45/40/54/457454054.db2.gz BKYUTKWXHLKATI-MRXNPFEDSA-N 1 2 334.397 3.238 10 5 EGBELO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000361865388 457917477 /nfs/dbraw/zinc/91/74/77/457917477.db2.gz MOKCGSBAJMXPDY-UHFFFAOYSA-N 1 2 349.394 3.042 10 5 EGBELO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000361865388 457917480 /nfs/dbraw/zinc/91/74/80/457917480.db2.gz MOKCGSBAJMXPDY-UHFFFAOYSA-N 1 2 349.394 3.042 10 5 EGBELO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCCC2 ZINC000372350706 458285398 /nfs/dbraw/zinc/28/53/98/458285398.db2.gz SGFROSZLYFTLQH-NSHDSACASA-N 1 2 349.822 3.417 10 5 EGBELO O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532392170 459078947 /nfs/dbraw/zinc/07/89/47/459078947.db2.gz IGXHNDYDEZLKCC-UHFFFAOYSA-N 1 2 336.307 3.429 10 5 EGBELO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1[nH+]ccn1C ZINC000594996635 459209568 /nfs/dbraw/zinc/20/95/68/459209568.db2.gz UPEGIIZEFQGJDT-NSHDSACASA-N 1 2 343.412 3.303 10 5 EGBELO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nccn1C ZINC000594996635 459209575 /nfs/dbraw/zinc/20/95/75/459209575.db2.gz UPEGIIZEFQGJDT-NSHDSACASA-N 1 2 343.412 3.303 10 5 EGBELO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595064158 459233597 /nfs/dbraw/zinc/23/35/97/459233597.db2.gz DRTLRSUVRBDWBN-VCTAVGKDSA-N 1 2 327.388 3.204 10 5 EGBELO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000595489738 459323299 /nfs/dbraw/zinc/32/32/99/459323299.db2.gz OHJHJTZOUUVWMJ-UHFFFAOYSA-N 1 2 330.315 3.107 10 5 EGBELO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000595489738 459323307 /nfs/dbraw/zinc/32/33/07/459323307.db2.gz OHJHJTZOUUVWMJ-UHFFFAOYSA-N 1 2 330.315 3.107 10 5 EGBELO COc1cc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000595815368 459449398 /nfs/dbraw/zinc/44/93/98/459449398.db2.gz OPTJIVFEHBARST-LBPRGKRZSA-N 1 2 338.379 3.276 10 5 EGBELO COc1cc(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000595815368 459449409 /nfs/dbraw/zinc/44/94/09/459449409.db2.gz OPTJIVFEHBARST-LBPRGKRZSA-N 1 2 338.379 3.276 10 5 EGBELO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)no1 ZINC000592130310 459530953 /nfs/dbraw/zinc/53/09/53/459530953.db2.gz BCKIAIWYZKHUCL-QAQDUYKDSA-N 1 2 345.399 3.197 10 5 EGBELO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)no1 ZINC000592130310 459530954 /nfs/dbraw/zinc/53/09/54/459530954.db2.gz BCKIAIWYZKHUCL-QAQDUYKDSA-N 1 2 345.399 3.197 10 5 EGBELO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593117054 459777807 /nfs/dbraw/zinc/77/78/07/459777807.db2.gz MOZGPRVIUZZFQI-CYBMUJFWSA-N 1 2 338.404 3.156 10 5 EGBELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593117054 459777812 /nfs/dbraw/zinc/77/78/12/459777812.db2.gz MOZGPRVIUZZFQI-CYBMUJFWSA-N 1 2 338.404 3.156 10 5 EGBELO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000597256175 459897515 /nfs/dbraw/zinc/89/75/15/459897515.db2.gz LQLRUKFMQNSZCI-BTCCRZGASA-N 1 2 326.343 3.353 10 5 EGBELO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000597256175 459897521 /nfs/dbraw/zinc/89/75/21/459897521.db2.gz LQLRUKFMQNSZCI-BTCCRZGASA-N 1 2 326.343 3.353 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1F)[C@@H](C)O ZINC000593660039 459942849 /nfs/dbraw/zinc/94/28/49/459942849.db2.gz YXALXXPMWLGFRP-XIKOKIGWSA-N 1 2 348.374 3.344 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000589518502 460098651 /nfs/dbraw/zinc/09/86/51/460098651.db2.gz RVXLNRRJRUCMTK-INIZCTEOSA-N 1 2 341.367 3.114 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000589518502 460098655 /nfs/dbraw/zinc/09/86/55/460098655.db2.gz RVXLNRRJRUCMTK-INIZCTEOSA-N 1 2 341.367 3.114 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cc(C)ccc3C2)c1 ZINC000589513914 460099434 /nfs/dbraw/zinc/09/94/34/460099434.db2.gz QNBFMJMKSBBLBJ-UHFFFAOYSA-N 1 2 340.379 3.248 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cc(C)ccc3C2)c1 ZINC000589513914 460099437 /nfs/dbraw/zinc/09/94/37/460099437.db2.gz QNBFMJMKSBBLBJ-UHFFFAOYSA-N 1 2 340.379 3.248 10 5 EGBELO COc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c(OC)c1 ZINC000598994947 460121248 /nfs/dbraw/zinc/12/12/48/460121248.db2.gz KXPYFIHYQSLUCC-NSHDSACASA-N 1 2 332.356 3.168 10 5 EGBELO O=[N+]([O-])c1c(NC2CCN(CC(F)F)CC2)ccc2c[nH+]ccc21 ZINC000599037334 460135758 /nfs/dbraw/zinc/13/57/58/460135758.db2.gz YRFCMZYOLAHOBO-UHFFFAOYSA-N 1 2 336.342 3.284 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@@H]1CCC[N@@H+]1CC(F)F ZINC000599133978 460170115 /nfs/dbraw/zinc/17/01/15/460170115.db2.gz OLLLUWDWJVILEB-LBPRGKRZSA-N 1 2 336.342 3.284 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)nccc2NC[C@@H]1CCC[N@H+]1CC(F)F ZINC000599133978 460170120 /nfs/dbraw/zinc/17/01/20/460170120.db2.gz OLLLUWDWJVILEB-LBPRGKRZSA-N 1 2 336.342 3.284 10 5 EGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501369 460379001 /nfs/dbraw/zinc/37/90/01/460379001.db2.gz BEDISWCRVMGCHE-UHIISALHSA-N 1 2 334.351 3.386 10 5 EGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501369 460379011 /nfs/dbraw/zinc/37/90/11/460379011.db2.gz BEDISWCRVMGCHE-UHIISALHSA-N 1 2 334.351 3.386 10 5 EGBELO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872043645 1296691026 /nfs/dbraw/zinc/69/10/26/1296691026.db2.gz JPVIGRIPTNHAEQ-WFASDCNBSA-N 1 2 343.358 3.190 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(Cl)s1 ZINC000895156446 1309215596 /nfs/dbraw/zinc/21/55/96/1309215596.db2.gz YVXVTKIOWIOSIA-UHFFFAOYSA-N 1 2 327.793 3.393 10 5 EGBELO C[C@@H](c1ccc(F)nc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000929247639 1328548413 /nfs/dbraw/zinc/54/84/13/1328548413.db2.gz VHIXLSZCRQAVOP-ZDUSSCGKSA-N 1 2 330.363 3.012 10 5 EGBELO Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)[nH+]1 ZINC000921267193 1322282329 /nfs/dbraw/zinc/28/23/29/1322282329.db2.gz 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O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC001333836882 1390418920 /nfs/dbraw/zinc/41/89/20/1390418920.db2.gz SISUHLCGLCFHIA-KBPBESRZSA-N 1 2 330.306 3.063 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC2 ZINC001333836882 1390418924 /nfs/dbraw/zinc/41/89/24/1390418924.db2.gz SISUHLCGLCFHIA-KBPBESRZSA-N 1 2 330.306 3.063 10 5 EGBELO C[C@@H](N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000178245411 533011134 /nfs/dbraw/zinc/01/11/34/533011134.db2.gz QZEJLBBYIVQSER-NWDGAFQWSA-N 1 2 331.338 3.224 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000338061332 141085400 /nfs/dbraw/zinc/08/54/00/141085400.db2.gz YYQOKPMXLJFHDC-UHFFFAOYSA-N 1 2 340.314 3.480 10 5 EGBELO Cc1nnc([C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000173378786 144040126 /nfs/dbraw/zinc/04/01/26/144040126.db2.gz RCXDRMDOBXXMFJ-SJKOYZFVSA-N 1 2 337.383 3.462 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189744337 153095255 /nfs/dbraw/zinc/09/52/55/153095255.db2.gz ZSYPLJKOECZELN-CYBMUJFWSA-N 1 2 341.415 3.079 10 5 EGBELO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000325112180 154176968 /nfs/dbraw/zinc/17/69/68/154176968.db2.gz HBWGKCLEVQBMQK-QWHCGFSZSA-N 1 2 329.404 3.325 10 5 EGBELO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000350312047 165028349 /nfs/dbraw/zinc/02/83/49/165028349.db2.gz LZMOALJIWNAORX-UHFFFAOYSA-N 1 2 341.367 3.149 10 5 EGBELO C[NH+](C)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000355494280 166220760 /nfs/dbraw/zinc/22/07/60/166220760.db2.gz DPFYYXHJVMIZEN-UHFFFAOYSA-N 1 2 349.774 3.268 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccccc2Cn2cc[nH+]c2)n1 ZINC000359109219 167069208 /nfs/dbraw/zinc/06/92/08/167069208.db2.gz NOPPKBYGUXYREB-UHFFFAOYSA-N 1 2 337.383 3.464 10 5 EGBELO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000366275228 168100808 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O=[N+]([O-])c1cc(Cl)cnc1NCc1ccccc1-n1cc[nH+]c1 ZINC000091506286 454443003 /nfs/dbraw/zinc/44/30/03/454443003.db2.gz PPWJWSDMRYSANY-UHFFFAOYSA-N 1 2 329.747 3.441 10 5 EGBELO Cc1ccc(C[N@@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 ZINC000134088824 454502610 /nfs/dbraw/zinc/50/26/10/454502610.db2.gz BWWFAQKRVQSBNS-UHFFFAOYSA-N 1 2 328.328 3.178 10 5 EGBELO Cc1ccc(C[N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)o1 ZINC000134088824 454502615 /nfs/dbraw/zinc/50/26/15/454502615.db2.gz BWWFAQKRVQSBNS-UHFFFAOYSA-N 1 2 328.328 3.178 10 5 EGBELO Cn1cc(Br)cc1C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000151513679 454996053 /nfs/dbraw/zinc/99/60/53/454996053.db2.gz JQGAWYHQGBCFEW-UHFFFAOYSA-N 1 2 344.234 3.389 10 5 EGBELO Cn1cc(Br)cc1C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000151513679 454996056 /nfs/dbraw/zinc/99/60/56/454996056.db2.gz JQGAWYHQGBCFEW-UHFFFAOYSA-N 1 2 344.234 3.389 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000128309116 455044858 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JWIZKCAFSDJWGW-UHOFOFEASA-N 1 2 340.807 3.017 10 5 EGBELO Cc1csc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CCC2)n1 ZINC000284067575 455632027 /nfs/dbraw/zinc/63/20/27/455632027.db2.gz KLTZCPNJWYBEPY-UHFFFAOYSA-N 1 2 348.384 3.437 10 5 EGBELO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000285582775 455875020 /nfs/dbraw/zinc/87/50/20/455875020.db2.gz IHMZGVLWLGCYNK-UHFFFAOYSA-N 1 2 339.461 3.269 10 5 EGBELO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1csc([N+](=O)[O-])c1 ZINC000285582775 455875024 /nfs/dbraw/zinc/87/50/24/455875024.db2.gz IHMZGVLWLGCYNK-UHFFFAOYSA-N 1 2 339.461 3.269 10 5 EGBELO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280324038 455947752 /nfs/dbraw/zinc/94/77/52/455947752.db2.gz QPGYECLJUFGBFG-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280324038 455947756 /nfs/dbraw/zinc/94/77/56/455947756.db2.gz QPGYECLJUFGBFG-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000301381085 456103180 /nfs/dbraw/zinc/10/31/80/456103180.db2.gz UMGXMYMLYJPCIK-LBPRGKRZSA-N 1 2 340.221 3.032 10 5 EGBELO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)c(Br)c1 ZINC000301381085 456103187 /nfs/dbraw/zinc/10/31/87/456103187.db2.gz UMGXMYMLYJPCIK-LBPRGKRZSA-N 1 2 340.221 3.032 10 5 EGBELO COc1cc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000352778193 456298554 /nfs/dbraw/zinc/29/85/54/456298554.db2.gz JNKFMQTZKPBVMI-OAHLLOKOSA-N 1 2 346.387 3.351 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348237220 456557530 /nfs/dbraw/zinc/55/75/30/456557530.db2.gz YMRFZKNHEGSDFS-AXFHLTTASA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348237220 456557531 /nfs/dbraw/zinc/55/75/31/456557531.db2.gz YMRFZKNHEGSDFS-AXFHLTTASA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348237224 456557793 /nfs/dbraw/zinc/55/77/93/456557793.db2.gz YMRFZKNHEGSDFS-MXWKQRLJSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348237224 456557796 /nfs/dbraw/zinc/55/77/96/456557796.db2.gz YMRFZKNHEGSDFS-MXWKQRLJSA-N 1 2 345.321 3.195 10 5 EGBELO CC(C)(CO)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccs1 ZINC000339198357 456987587 /nfs/dbraw/zinc/98/75/87/456987587.db2.gz IGESVHYELSNVCO-HNNXBMFYSA-N 1 2 336.413 3.211 10 5 EGBELO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nnc2n1CCCCC2 ZINC000360111582 457260536 /nfs/dbraw/zinc/26/05/36/457260536.db2.gz DAMPWHXSHYLDRA-NSHDSACASA-N 1 2 349.822 3.417 10 5 EGBELO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cn[nH]c1 ZINC000339791280 457271026 /nfs/dbraw/zinc/27/10/26/457271026.db2.gz FOGUFCONKMFMHJ-JTQLQIEISA-N 1 2 329.385 3.292 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470955503 458668826 /nfs/dbraw/zinc/66/88/26/458668826.db2.gz LWMQWSWZOXYRKE-GHMZBOCLSA-N 1 2 345.321 3.114 10 5 EGBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470955503 458668827 /nfs/dbraw/zinc/66/88/27/458668827.db2.gz LWMQWSWZOXYRKE-GHMZBOCLSA-N 1 2 345.321 3.114 10 5 EGBELO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000494841252 458755458 /nfs/dbraw/zinc/75/54/58/458755458.db2.gz ACCXOIHIISXLOF-UHFFFAOYSA-N 1 2 349.431 3.029 10 5 EGBELO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)o2)c(Cl)c1 ZINC000590053139 459073873 /nfs/dbraw/zinc/07/38/73/459073873.db2.gz MOKJWHYZCPMTJL-ZBFHGGJFSA-N 1 2 334.759 3.481 10 5 EGBELO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)o2)c(Cl)c1 ZINC000590053139 459073877 /nfs/dbraw/zinc/07/38/77/459073877.db2.gz MOKJWHYZCPMTJL-ZBFHGGJFSA-N 1 2 334.759 3.481 10 5 EGBELO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nccn1CC(C)C ZINC000595029372 459221826 /nfs/dbraw/zinc/22/18/26/459221826.db2.gz XNZCBMUSLQXNCM-CYBMUJFWSA-N 1 2 332.404 3.307 10 5 EGBELO Cc1noc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595386371 459288295 /nfs/dbraw/zinc/28/82/95/459288295.db2.gz DOBUVEULSXGJQB-CQSZACIVSA-N 1 2 347.346 3.268 10 5 EGBELO Cc1noc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595386371 459288299 /nfs/dbraw/zinc/28/82/99/459288299.db2.gz DOBUVEULSXGJQB-CQSZACIVSA-N 1 2 347.346 3.268 10 5 EGBELO Cc1c(C[N@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000595891951 459477787 /nfs/dbraw/zinc/47/77/87/459477787.db2.gz RNWNQRDXVDMWFJ-ZWNOBZJWSA-N 1 2 332.322 3.445 10 5 EGBELO Cc1c(C[N@@H+]2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000595891951 459477793 /nfs/dbraw/zinc/47/77/93/459477793.db2.gz RNWNQRDXVDMWFJ-ZWNOBZJWSA-N 1 2 332.322 3.445 10 5 EGBELO CCN(CC)c1ccc(CNc2c(OC)cccc2[N+](=O)[O-])c[nH+]1 ZINC000583450969 459541627 /nfs/dbraw/zinc/54/16/27/459541627.db2.gz GHZBIFYYHJGLMW-UHFFFAOYSA-N 1 2 330.388 3.457 10 5 EGBELO CC[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922385 459611691 /nfs/dbraw/zinc/61/16/91/459611691.db2.gz CIKFPRBIZILWRZ-OLZOCXBDSA-N 1 2 327.375 3.317 10 5 EGBELO CC[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000498922385 459611693 /nfs/dbraw/zinc/61/16/93/459611693.db2.gz CIKFPRBIZILWRZ-OLZOCXBDSA-N 1 2 327.375 3.317 10 5 EGBELO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000596598372 459692748 /nfs/dbraw/zinc/69/27/48/459692748.db2.gz DIHDWMMROCHIHG-UHFFFAOYSA-N 1 2 332.379 3.052 10 5 EGBELO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000596598372 459692752 /nfs/dbraw/zinc/69/27/52/459692752.db2.gz DIHDWMMROCHIHG-UHFFFAOYSA-N 1 2 332.379 3.052 10 5 EGBELO COc1cc(C[NH2+]Cc2ccc(Cl)o2)c([N+](=O)[O-])cc1OC ZINC000608781852 459881526 /nfs/dbraw/zinc/88/15/26/459881526.db2.gz LEJPYAWAJPGOSU-UHFFFAOYSA-N 1 2 326.736 3.148 10 5 EGBELO Cc1cn2cc(NC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000610018747 460052207 /nfs/dbraw/zinc/05/22/07/460052207.db2.gz NKLQYWACJJPORH-LBPRGKRZSA-N 1 2 339.355 3.434 10 5 EGBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](C2CCOCC2)C1 ZINC000599057287 460144445 /nfs/dbraw/zinc/14/44/45/460144445.db2.gz BNNHEMFSRPYHED-OAHLLOKOSA-N 1 2 327.384 3.396 10 5 EGBELO CCO[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@]12CCCO2 ZINC000599067396 460149248 /nfs/dbraw/zinc/14/92/48/460149248.db2.gz VVXFUQWWKSDAIN-NUJGCVRESA-N 1 2 343.383 3.282 10 5 EGBELO O=C1CCCC12CCN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CC2 ZINC000599103710 460161644 /nfs/dbraw/zinc/16/16/44/460161644.db2.gz JVNHSUIFTPMBFR-UHFFFAOYSA-N 1 2 325.368 3.483 10 5 EGBELO NC(=O)CC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCCC1 ZINC000599110892 460164258 /nfs/dbraw/zinc/16/42/58/460164258.db2.gz FZHGHUZVVDCDGR-UHFFFAOYSA-N 1 2 342.399 3.381 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000611274692 460325787 /nfs/dbraw/zinc/32/57/87/460325787.db2.gz HKDZTBKTKSTOIU-UHFFFAOYSA-N 1 2 340.379 3.322 10 5 EGBELO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502381 460378909 /nfs/dbraw/zinc/37/89/09/460378909.db2.gz RRTBNUZZOSNEDD-ONGXEEELSA-N 1 2 348.321 3.385 10 5 EGBELO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611502381 460378914 /nfs/dbraw/zinc/37/89/14/460378914.db2.gz RRTBNUZZOSNEDD-ONGXEEELSA-N 1 2 348.321 3.385 10 5 EGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501368 460379811 /nfs/dbraw/zinc/37/98/11/460379811.db2.gz BEDISWCRVMGCHE-SUNKGSAMSA-N 1 2 334.351 3.386 10 5 EGBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501368 460379815 /nfs/dbraw/zinc/37/98/15/460379815.db2.gz BEDISWCRVMGCHE-SUNKGSAMSA-N 1 2 334.351 3.386 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000613025697 460806412 /nfs/dbraw/zinc/80/64/12/460806412.db2.gz MUJCTUMPVYPEDW-ZDUSSCGKSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000613025697 460806416 /nfs/dbraw/zinc/80/64/16/460806416.db2.gz MUJCTUMPVYPEDW-ZDUSSCGKSA-N 1 2 349.362 3.130 10 5 EGBELO COc1cccc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000167527931 533735537 /nfs/dbraw/zinc/73/55/37/533735537.db2.gz GZHPXLQXQDDHIV-SFHVURJKSA-N 1 2 328.368 3.177 10 5 EGBELO COc1cccc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000167527931 533735547 /nfs/dbraw/zinc/73/55/47/533735547.db2.gz GZHPXLQXQDDHIV-SFHVURJKSA-N 1 2 328.368 3.177 10 5 EGBELO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cnc2C)[nH+]1 ZINC000371252192 547797681 /nfs/dbraw/zinc/79/76/81/547797681.db2.gz AYBOVUQVDLGJRE-UHFFFAOYSA-N 1 2 337.339 3.249 10 5 EGBELO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000872057619 1296705786 /nfs/dbraw/zinc/70/57/86/1296705786.db2.gz ZLOCYZMIGJLDBG-LBPRGKRZSA-N 1 2 346.362 3.139 10 5 EGBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000881772782 1301716311 /nfs/dbraw/zinc/71/63/11/1301716311.db2.gz YCIAXRZKVMKGJL-UHFFFAOYSA-N 1 2 345.424 3.181 10 5 EGBELO CC(F)(F)CCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000922662538 1322582839 /nfs/dbraw/zinc/58/28/39/1322582839.db2.gz NFXUXKDAYWNYAC-UHFFFAOYSA-N 1 2 339.298 3.373 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000927095121 1327860009 /nfs/dbraw/zinc/86/00/09/1327860009.db2.gz NXMUKEVFKMYNTA-UHFFFAOYSA-N 1 2 340.383 3.015 10 5 EGBELO C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197135112 1368751406 /nfs/dbraw/zinc/75/14/06/1368751406.db2.gz GSSKYMVENXFEBN-BZNIZROVSA-N 1 2 349.337 3.361 10 5 EGBELO O=C(Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124367329 1372695273 /nfs/dbraw/zinc/69/52/73/1372695273.db2.gz CVGXPCNSUWQWKD-UHFFFAOYSA-N 1 2 344.277 3.311 10 5 EGBELO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001171670852 1384597163 /nfs/dbraw/zinc/59/71/63/1384597163.db2.gz MNSHPBBQIBWUTN-OAHLLOKOSA-N 1 2 338.404 3.026 10 5 EGBELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001171670852 1384597164 /nfs/dbraw/zinc/59/71/64/1384597164.db2.gz MNSHPBBQIBWUTN-OAHLLOKOSA-N 1 2 338.404 3.026 10 5 EGBELO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001353185973 1391953732 /nfs/dbraw/zinc/95/37/32/1391953732.db2.gz SEPVHOLBMCHMCL-UHFFFAOYSA-N 1 2 348.790 3.066 10 5 EGBELO Cc1csc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)n1 ZINC000183315451 235004061 /nfs/dbraw/zinc/00/40/61/235004061.db2.gz YOXXOVLJOZVTIN-OAHLLOKOSA-N 1 2 333.413 3.242 10 5 EGBELO Cc1csc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)n1 ZINC000183315451 235004064 /nfs/dbraw/zinc/00/40/64/235004064.db2.gz YOXXOVLJOZVTIN-OAHLLOKOSA-N 1 2 333.413 3.242 10 5 EGBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000112712494 220383490 /nfs/dbraw/zinc/38/34/90/220383490.db2.gz PIMQPAILJNTFEW-UHFFFAOYSA-N 1 2 343.387 3.042 10 5 EGBELO Cc1nnc([C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc2)[nH]1 ZINC000173378797 144040288 /nfs/dbraw/zinc/04/02/88/144040288.db2.gz RCXDRMDOBXXMFJ-PXAZEXFGSA-N 1 2 337.383 3.462 10 5 EGBELO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000125175718 162266168 /nfs/dbraw/zinc/26/61/68/162266168.db2.gz FJHOVNPAWMKWCN-KRWDZBQOSA-N 1 2 348.424 3.499 10 5 EGBELO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000125175718 162266174 /nfs/dbraw/zinc/26/61/74/162266174.db2.gz FJHOVNPAWMKWCN-KRWDZBQOSA-N 1 2 348.424 3.499 10 5 EGBELO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000131053502 162388539 /nfs/dbraw/zinc/38/85/39/162388539.db2.gz MIYCCGMQXDCBOV-DOMZBBRYSA-N 1 2 329.404 3.325 10 5 EGBELO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000359301476 167119459 /nfs/dbraw/zinc/11/94/59/167119459.db2.gz NKVPYIRRYUDBLP-UHFFFAOYSA-N 1 2 341.371 3.005 10 5 EGBELO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000359301476 167119462 /nfs/dbraw/zinc/11/94/62/167119462.db2.gz NKVPYIRRYUDBLP-UHFFFAOYSA-N 1 2 341.371 3.005 10 5 EGBELO C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000276538389 267568364 /nfs/dbraw/zinc/56/83/64/267568364.db2.gz CVLRHCQSPVBAFG-DYVFJYSZSA-N 1 2 337.383 3.427 10 5 EGBELO Cc1cc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])ccc1[NH+](C)C ZINC000301867752 308719192 /nfs/dbraw/zinc/71/91/92/308719192.db2.gz GNBFSHCQIYWTMS-UHFFFAOYSA-N 1 2 349.412 3.116 10 5 EGBELO O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000413295051 309025506 /nfs/dbraw/zinc/02/55/06/309025506.db2.gz OQMOKJFTIPCBKE-HAQNSBGRSA-N 1 2 331.351 3.359 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450503781 310127061 /nfs/dbraw/zinc/12/70/61/310127061.db2.gz WKXNVAMZRQNKIG-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO C[C@H]1CC2(CCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451203484 310165849 /nfs/dbraw/zinc/16/58/49/310165849.db2.gz ZEAWBZDELAVAHF-ZDUSSCGKSA-N 1 2 340.383 3.185 10 5 EGBELO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000456141603 310390366 /nfs/dbraw/zinc/39/03/66/310390366.db2.gz CTRJTIVHGQOHHF-UHFFFAOYSA-N 1 2 328.372 3.089 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487739021 311036274 /nfs/dbraw/zinc/03/62/74/311036274.db2.gz NGQJIVFFNURNJL-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000514678997 312238540 /nfs/dbraw/zinc/23/85/40/312238540.db2.gz DGEYPMGSILMRGS-ZDUSSCGKSA-N 1 2 330.331 3.196 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000514678997 312238542 /nfs/dbraw/zinc/23/85/42/312238542.db2.gz DGEYPMGSILMRGS-ZDUSSCGKSA-N 1 2 330.331 3.196 10 5 EGBELO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532391265 313793502 /nfs/dbraw/zinc/79/35/02/313793502.db2.gz HATNWXJDGXTPBD-UHFFFAOYSA-N 1 2 336.307 3.429 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000183398044 455287649 /nfs/dbraw/zinc/28/76/49/455287649.db2.gz UQFYNGXABRCPOA-CRAIPNDOSA-N 1 2 348.349 3.489 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000183398044 455287654 /nfs/dbraw/zinc/28/76/54/455287654.db2.gz UQFYNGXABRCPOA-CRAIPNDOSA-N 1 2 348.349 3.489 10 5 EGBELO C[C@H](c1nccs1)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000184590299 455409088 /nfs/dbraw/zinc/40/90/88/455409088.db2.gz VVBMOBKPWGVPJZ-ZIAGYGMSSA-N 1 2 346.456 3.491 10 5 EGBELO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000092486100 454574442 /nfs/dbraw/zinc/57/44/42/454574442.db2.gz BEEQSHXVDIHULO-SCLBCKFNSA-N 1 2 328.368 3.262 10 5 EGBELO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000092486100 454574446 /nfs/dbraw/zinc/57/44/46/454574446.db2.gz BEEQSHXVDIHULO-SCLBCKFNSA-N 1 2 328.368 3.262 10 5 EGBELO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093687785 454728853 /nfs/dbraw/zinc/72/88/53/454728853.db2.gz LPQRIZHEKDWDMM-INIZCTEOSA-N 1 2 330.384 3.074 10 5 EGBELO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093687785 454728855 /nfs/dbraw/zinc/72/88/55/454728855.db2.gz LPQRIZHEKDWDMM-INIZCTEOSA-N 1 2 330.384 3.074 10 5 EGBELO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000283817694 455599576 /nfs/dbraw/zinc/59/95/76/455599576.db2.gz YQBHUUJOQAZNQX-KGLIPLIRSA-N 1 2 330.413 3.210 10 5 EGBELO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000283817694 455599581 /nfs/dbraw/zinc/59/95/81/455599581.db2.gz YQBHUUJOQAZNQX-KGLIPLIRSA-N 1 2 330.413 3.210 10 5 EGBELO Cc1cn2cc(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)ccc2[nH+]1 ZINC000347729361 456332104 /nfs/dbraw/zinc/33/21/04/456332104.db2.gz JAUUOSRNNMHRPP-LLVKDONJSA-N 1 2 342.330 3.432 10 5 EGBELO C[C@@](CO)([NH2+]Cc1ccsc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601149523 460732235 /nfs/dbraw/zinc/73/22/35/460732235.db2.gz NPBGWAZCLCAVBO-AWEZNQCLSA-N 1 2 326.805 3.307 10 5 EGBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000338950931 456872278 /nfs/dbraw/zinc/87/22/78/456872278.db2.gz GYTWJHJBUYMMJM-GOSISDBHSA-N 1 2 328.368 3.046 10 5 EGBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000338950931 456872282 /nfs/dbraw/zinc/87/22/82/456872282.db2.gz GYTWJHJBUYMMJM-GOSISDBHSA-N 1 2 328.368 3.046 10 5 EGBELO Cc1cn2cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000339690475 457215512 /nfs/dbraw/zinc/21/55/12/457215512.db2.gz FBJCYMKYRSBCMP-UHFFFAOYSA-N 1 2 338.367 3.467 10 5 EGBELO CC(C)(C)c1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1[N+](=O)[O-] ZINC000347213029 457291005 /nfs/dbraw/zinc/29/10/05/457291005.db2.gz JHUARPTWJISAEF-UHFFFAOYSA-N 1 2 343.387 3.022 10 5 EGBELO CO[C@H](C)c1noc(C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000347375968 457385878 /nfs/dbraw/zinc/38/58/78/457385878.db2.gz SPPLBZMUGHFQNH-YQCJOKCJSA-N 1 2 346.387 3.221 10 5 EGBELO CO[C@H](C)c1noc(C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000347375968 457385887 /nfs/dbraw/zinc/38/58/87/457385887.db2.gz SPPLBZMUGHFQNH-YQCJOKCJSA-N 1 2 346.387 3.221 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444687206 457939455 /nfs/dbraw/zinc/93/94/55/457939455.db2.gz AFDAHVBYHPTDRT-NSHDSACASA-N 1 2 345.321 3.116 10 5 EGBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444687206 457939462 /nfs/dbraw/zinc/93/94/62/457939462.db2.gz AFDAHVBYHPTDRT-NSHDSACASA-N 1 2 345.321 3.116 10 5 EGBELO Cn1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)n1 ZINC000358493454 458036596 /nfs/dbraw/zinc/03/65/96/458036596.db2.gz CRRQLENHSGMCNU-GOSISDBHSA-N 1 2 340.358 3.347 10 5 EGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)cs2)c1 ZINC000459750635 458467434 /nfs/dbraw/zinc/46/74/34/458467434.db2.gz JFONVHXWRYRQHP-KBPBESRZSA-N 1 2 333.438 3.408 10 5 EGBELO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3C[C@@H]4C[C@H]3CS4)cs2)c1 ZINC000459750635 458467439 /nfs/dbraw/zinc/46/74/39/458467439.db2.gz JFONVHXWRYRQHP-KBPBESRZSA-N 1 2 333.438 3.408 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]c2cccc(Cl)c2n1C ZINC000466633068 458910290 /nfs/dbraw/zinc/91/02/90/458910290.db2.gz DIJFWZBWUPYTFV-UHFFFAOYSA-N 1 2 330.775 3.477 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484563898 459419788 /nfs/dbraw/zinc/41/97/88/459419788.db2.gz FBMWTHMBPIEVLZ-DNVCBOLYSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000484563898 459419792 /nfs/dbraw/zinc/41/97/92/459419792.db2.gz FBMWTHMBPIEVLZ-DNVCBOLYSA-N 1 2 342.395 3.436 10 5 EGBELO COc1cc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1C ZINC000596077666 459510759 /nfs/dbraw/zinc/51/07/59/459510759.db2.gz LKMODRZTMHTLLZ-UHFFFAOYSA-N 1 2 342.399 3.388 10 5 EGBELO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904738 459610521 /nfs/dbraw/zinc/61/05/21/459610521.db2.gz KHYRKXOBYOXIAY-GXTWGEPZSA-N 1 2 327.375 3.317 10 5 EGBELO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000498904738 459610524 /nfs/dbraw/zinc/61/05/24/459610524.db2.gz KHYRKXOBYOXIAY-GXTWGEPZSA-N 1 2 327.375 3.317 10 5 EGBELO CC(C)c1nc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc[nH+]1 ZINC000573716926 459723861 /nfs/dbraw/zinc/72/38/61/459723861.db2.gz MCDGVALNFRDDGG-UHFFFAOYSA-N 1 2 325.372 3.066 10 5 EGBELO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000584421009 459735548 /nfs/dbraw/zinc/73/55/48/459735548.db2.gz ZJSQLRYKVLYSNE-IUODEOHRSA-N 1 2 341.415 3.251 10 5 EGBELO CCO[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@]12CCCO2 ZINC000599067394 460149141 /nfs/dbraw/zinc/14/91/41/460149141.db2.gz VVXFUQWWKSDAIN-JZXOWHBKSA-N 1 2 343.383 3.282 10 5 EGBELO CC(C)[C@]1(CO)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086327 460156635 /nfs/dbraw/zinc/15/66/35/460156635.db2.gz JRJSYWQTHZBGIK-GOSISDBHSA-N 1 2 329.400 3.378 10 5 EGBELO C[C@@H]1C[C@@H](NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c2[nH+]ccn21 ZINC000601616652 460847545 /nfs/dbraw/zinc/84/75/45/460847545.db2.gz FNTFTLYWWOMOJT-IUODEOHRSA-N 1 2 340.383 3.035 10 5 EGBELO CCOCCCNc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)c[nH+]1 ZINC000600791040 468659151 /nfs/dbraw/zinc/65/91/51/468659151.db2.gz DEVYSESZYLRCOD-UHFFFAOYSA-N 1 2 345.399 3.030 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000175175425 528611722 /nfs/dbraw/zinc/61/17/22/528611722.db2.gz UHJUZIRQLCWUJY-MRXNPFEDSA-N 1 2 330.388 3.064 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000175175425 528611725 /nfs/dbraw/zinc/61/17/25/528611725.db2.gz UHJUZIRQLCWUJY-MRXNPFEDSA-N 1 2 330.388 3.064 10 5 EGBELO C[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872087511 1296727023 /nfs/dbraw/zinc/72/70/23/1296727023.db2.gz IZRFSSOUAGFFFM-SKDRFNHKSA-N 1 2 346.284 3.385 10 5 EGBELO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(C)n1 ZINC001126970039 1373061058 /nfs/dbraw/zinc/06/10/58/1373061058.db2.gz PQALNBFTZRWSCW-UHFFFAOYSA-N 1 2 337.339 3.045 10 5 EGBELO Cc1ccnc(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001128813589 1373313165 /nfs/dbraw/zinc/31/31/65/1373313165.db2.gz VLTOKKRRKTXXKP-UHFFFAOYSA-N 1 2 337.339 3.045 10 5 EGBELO CCc1[nH]c(CNc2cccc(Br)c2[N+](=O)[O-])c[nH+]1 ZINC001164234032 1383169426 /nfs/dbraw/zinc/16/94/26/1383169426.db2.gz GXUUCQNGQXQSDM-UHFFFAOYSA-N 1 2 325.166 3.255 10 5 EGBELO CCc1[nH]cc(CNc2cccc(Br)c2[N+](=O)[O-])[nH+]1 ZINC001164234032 1383169428 /nfs/dbraw/zinc/16/94/28/1383169428.db2.gz GXUUCQNGQXQSDM-UHFFFAOYSA-N 1 2 325.166 3.255 10 5 EGBELO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc([N+](=O)[O-])cc1O ZINC000372477098 304007288 /nfs/dbraw/zinc/00/72/88/304007288.db2.gz ACLFEJRKVHYMHX-UHFFFAOYSA-N 1 2 339.351 3.031 10 5 EGBELO O=C(Nc1cccc2c1C[N@H+](C1CC1)C2)c1ccc([N+](=O)[O-])cc1O ZINC000372477098 304007292 /nfs/dbraw/zinc/00/72/92/304007292.db2.gz ACLFEJRKVHYMHX-UHFFFAOYSA-N 1 2 339.351 3.031 10 5 EGBELO Cc1ccc(Cl)cc1Nc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040593081 213357172 /nfs/dbraw/zinc/35/71/72/213357172.db2.gz MMULFNJAVDBXNM-UHFFFAOYSA-N 1 2 330.735 3.276 10 5 EGBELO CSc1cccc(C(=O)NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000188173118 144169730 /nfs/dbraw/zinc/16/97/30/144169730.db2.gz FVWXSVOFNUWLCQ-UHFFFAOYSA-N 1 2 348.428 3.099 10 5 EGBELO Cc1ccsc1[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351819806 144311504 /nfs/dbraw/zinc/31/15/04/144311504.db2.gz BSOKOOVTLIBRBP-CYBMUJFWSA-N 1 2 328.340 3.066 10 5 EGBELO Cc1c(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cccc1[N+](=O)[O-] ZINC000126758011 162311547 /nfs/dbraw/zinc/31/15/47/162311547.db2.gz ICBWRQUSAZZFFJ-GOSISDBHSA-N 1 2 328.368 3.182 10 5 EGBELO Cc1c(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cccc1[N+](=O)[O-] ZINC000126758011 162311548 /nfs/dbraw/zinc/31/15/48/162311548.db2.gz ICBWRQUSAZZFFJ-GOSISDBHSA-N 1 2 328.368 3.182 10 5 EGBELO C[N@H+](CCOc1ccccc1Cl)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338881860 163372971 /nfs/dbraw/zinc/37/29/71/163372971.db2.gz VLERPQMDAIWVDV-UHFFFAOYSA-N 1 2 336.775 3.465 10 5 EGBELO C[N@@H+](CCOc1ccccc1Cl)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338881860 163372974 /nfs/dbraw/zinc/37/29/74/163372974.db2.gz VLERPQMDAIWVDV-UHFFFAOYSA-N 1 2 336.775 3.465 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361059126 279236277 /nfs/dbraw/zinc/23/62/77/279236277.db2.gz DWFOFYGHQGHNNZ-CHWSQXEVSA-N 1 2 325.368 3.499 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361059126 279236278 /nfs/dbraw/zinc/23/62/78/279236278.db2.gz DWFOFYGHQGHNNZ-CHWSQXEVSA-N 1 2 325.368 3.499 10 5 EGBELO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000054322450 307337515 /nfs/dbraw/zinc/33/75/15/307337515.db2.gz PJXRNVWMBGNFSB-AWEZNQCLSA-N 1 2 349.431 3.059 10 5 EGBELO CCOC(=O)c1cc(NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000135304573 307700824 /nfs/dbraw/zinc/70/08/24/307700824.db2.gz LQXQWYQKDMTTTC-UHFFFAOYSA-N 1 2 346.387 3.236 10 5 EGBELO Cc1cc(NC[C@](C)(O)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301222057 308692213 /nfs/dbraw/zinc/69/22/13/308692213.db2.gz CLNWWHKUSNVLAS-KRWDZBQOSA-N 1 2 330.388 3.179 10 5 EGBELO Cc1[nH+]c2ccccc2n1CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301738175 308713246 /nfs/dbraw/zinc/71/32/46/308713246.db2.gz ISRGYUIMZCOGLM-UHFFFAOYSA-N 1 2 331.763 3.413 10 5 EGBELO COc1c(C)c[nH+]c(CN(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000447691453 309985762 /nfs/dbraw/zinc/98/57/62/309985762.db2.gz ROVNOMYMWSSTFH-UHFFFAOYSA-N 1 2 341.371 3.128 10 5 EGBELO C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450005511 310098449 /nfs/dbraw/zinc/09/84/49/310098449.db2.gz WFOWJYVSOBUTFQ-QWHCGFSZSA-N 1 2 328.372 3.041 10 5 EGBELO CC[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1CC)c1cccc([N+](=O)[O-])c1 ZINC000455476221 310362565 /nfs/dbraw/zinc/36/25/65/310362565.db2.gz SPGHKFVNIMADSZ-SWLSCSKDSA-N 1 2 345.403 3.323 10 5 EGBELO COc1cc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000537605583 314194887 /nfs/dbraw/zinc/19/48/87/314194887.db2.gz VVMYSRTVVAEDGW-GFCCVEGCSA-N 1 2 348.321 3.147 10 5 EGBELO COc1cc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000537605583 314194889 /nfs/dbraw/zinc/19/48/89/314194889.db2.gz VVMYSRTVVAEDGW-GFCCVEGCSA-N 1 2 348.321 3.147 10 5 EGBELO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000570959233 317133039 /nfs/dbraw/zinc/13/30/39/317133039.db2.gz YETYESWMKUPUIN-NEPJUHHUSA-N 1 2 340.387 3.343 10 5 EGBELO O=[N+]([O-])c1cccc2c1CCN2Cc1[nH+]ccn1Cc1ccccc1 ZINC000178950354 323362955 /nfs/dbraw/zinc/36/29/55/323362955.db2.gz MPQYPMYTWPEBHG-UHFFFAOYSA-N 1 2 334.379 3.402 10 5 EGBELO O=C(NC[C@H]1CCCC12CC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600803492 460609896 /nfs/dbraw/zinc/60/98/96/460609896.db2.gz JUPIOJRGWLQYLZ-CQSZACIVSA-N 1 2 340.383 3.091 10 5 EGBELO Cc1csc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000184236537 455365017 /nfs/dbraw/zinc/36/50/17/455365017.db2.gz NJLOJDXPUBJGIW-QWRGUYRKSA-N 1 2 334.401 3.038 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000026851964 453806442 /nfs/dbraw/zinc/80/64/42/453806442.db2.gz POSXZETUNHBTDX-HNNXBMFYSA-N 1 2 339.395 3.114 10 5 EGBELO COc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000134050550 454498176 /nfs/dbraw/zinc/49/81/76/454498176.db2.gz RXKDIKYVVDJSSE-ABAIWWIYSA-N 1 2 334.351 3.027 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081010545 454669935 /nfs/dbraw/zinc/66/99/35/454669935.db2.gz GWFMJMAGBQFONP-OAHLLOKOSA-N 1 2 341.411 3.179 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000081010545 454669939 /nfs/dbraw/zinc/66/99/39/454669939.db2.gz GWFMJMAGBQFONP-OAHLLOKOSA-N 1 2 341.411 3.179 10 5 EGBELO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153194353 454769527 /nfs/dbraw/zinc/76/95/27/454769527.db2.gz OPAFHWAVIYLFGU-CQSZACIVSA-N 1 2 345.443 3.133 10 5 EGBELO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153194353 454769528 /nfs/dbraw/zinc/76/95/28/454769528.db2.gz OPAFHWAVIYLFGU-CQSZACIVSA-N 1 2 345.443 3.133 10 5 EGBELO COc1cccc2c1[nH+]c(NCc1ccc(C)c([N+](=O)[O-])c1)n2C ZINC000184790237 455448031 /nfs/dbraw/zinc/44/80/31/455448031.db2.gz BWKNGLAEDMGBAR-UHFFFAOYSA-N 1 2 326.356 3.411 10 5 EGBELO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000247262434 455580466 /nfs/dbraw/zinc/58/04/66/455580466.db2.gz XRADQWIYNIKYLW-KDOFPFPSSA-N 1 2 348.349 3.489 10 5 EGBELO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000247262434 455580468 /nfs/dbraw/zinc/58/04/68/455580468.db2.gz XRADQWIYNIKYLW-KDOFPFPSSA-N 1 2 348.349 3.489 10 5 EGBELO COCc1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000268262280 455634393 /nfs/dbraw/zinc/63/43/93/455634393.db2.gz FIIWZELHYQDCFX-UHFFFAOYSA-N 1 2 327.793 3.141 10 5 EGBELO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280396602 455963886 /nfs/dbraw/zinc/96/38/86/455963886.db2.gz XMDMNAFGQQCLDR-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@]2(CCOC2)O1 ZINC000280396602 455963891 /nfs/dbraw/zinc/96/38/91/455963891.db2.gz XMDMNAFGQQCLDR-MRXNPFEDSA-N 1 2 340.807 3.018 10 5 EGBELO C[C@](CO)([NH2+]Cc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601150075 460732441 /nfs/dbraw/zinc/73/24/41/460732441.db2.gz UCFMVUVBAIEAHB-MRXNPFEDSA-N 1 2 338.766 3.385 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348287742 456598895 /nfs/dbraw/zinc/59/88/95/456598895.db2.gz VXTNCCQZWIEQTO-OPQQBVKSSA-N 1 2 345.321 3.195 10 5 EGBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348287742 456598900 /nfs/dbraw/zinc/59/89/00/456598900.db2.gz VXTNCCQZWIEQTO-OPQQBVKSSA-N 1 2 345.321 3.195 10 5 EGBELO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000338419595 456807100 /nfs/dbraw/zinc/80/71/00/456807100.db2.gz ALFHEAXEPWETRQ-INIZCTEOSA-N 1 2 325.372 3.124 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000339065539 456924915 /nfs/dbraw/zinc/92/49/15/456924915.db2.gz GQFPFISBBIHTOK-KDOFPFPSSA-N 1 2 328.368 3.168 10 5 EGBELO CCOc1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000356594896 457074481 /nfs/dbraw/zinc/07/44/81/457074481.db2.gz AVLCAZPJIGQRFE-UHFFFAOYSA-N 1 2 344.293 3.364 10 5 EGBELO COc1cc2c(cc1F)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000347629831 457560972 /nfs/dbraw/zinc/56/09/72/457560972.db2.gz MAUOCBIVQWAONK-UHFFFAOYSA-N 1 2 346.358 3.309 10 5 EGBELO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000347629831 457560979 /nfs/dbraw/zinc/56/09/79/457560979.db2.gz MAUOCBIVQWAONK-UHFFFAOYSA-N 1 2 346.358 3.309 10 5 EGBELO COCC[N@H+](Cc1ccnn1C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000426494104 457842797 /nfs/dbraw/zinc/84/27/97/457842797.db2.gz FJOXTZADYIPEKE-UHFFFAOYSA-N 1 2 346.431 3.100 10 5 EGBELO COCC[N@@H+](Cc1ccnn1C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000426494104 457842805 /nfs/dbraw/zinc/84/28/05/457842805.db2.gz FJOXTZADYIPEKE-UHFFFAOYSA-N 1 2 346.431 3.100 10 5 EGBELO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000369628892 458295050 /nfs/dbraw/zinc/29/50/50/458295050.db2.gz HFFLTBLPKUNUGY-UHFFFAOYSA-N 1 2 348.790 3.082 10 5 EGBELO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CC4(C3)CCOCC4)cs2)c1 ZINC000459626041 458430382 /nfs/dbraw/zinc/43/03/82/458430382.db2.gz VZAPCBHCDACOFC-UHFFFAOYSA-N 1 2 345.424 3.331 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]c2cc(Cl)ccc2n1C ZINC000463498181 458706797 /nfs/dbraw/zinc/70/67/97/458706797.db2.gz FVNCULLPSIPKRP-UHFFFAOYSA-N 1 2 330.775 3.477 10 5 EGBELO CC[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000456803969 458787232 /nfs/dbraw/zinc/78/72/32/458787232.db2.gz UGIAGVKLAHLJJD-UONOGXRCSA-N 1 2 342.399 3.431 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2[nH+]cc(C)cc2C)c1 ZINC000594595794 459103622 /nfs/dbraw/zinc/10/36/22/459103622.db2.gz KHTUCARVUPQNAZ-UHFFFAOYSA-N 1 2 329.356 3.048 10 5 EGBELO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ncnn21 ZINC000594956086 459192231 /nfs/dbraw/zinc/19/22/31/459192231.db2.gz FADNYHPIDBNFLM-IAQYHMDHSA-N 1 2 339.355 3.242 10 5 EGBELO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@]1(F)c1ccccc1)OCCO2 ZINC000591640250 459416560 /nfs/dbraw/zinc/41/65/60/459416560.db2.gz ZBKMXTXBBNSOGG-ROUUACIJSA-N 1 2 344.342 3.093 10 5 EGBELO CC(C)(C)[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1O ZINC000599064713 460146633 /nfs/dbraw/zinc/14/66/33/460146633.db2.gz GSXPWZIXVLZNMC-HOCLYGCPSA-N 1 2 329.400 3.376 10 5 EGBELO CCO[C@@H]1C[C@](O)(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1(C)C ZINC000599082032 460154852 /nfs/dbraw/zinc/15/48/52/460154852.db2.gz WXIBWMPSHLVXLO-QAPCUYQASA-N 1 2 345.399 3.121 10 5 EGBELO Cn1cc[nH+]c1[C@H](NCc1ccc(Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000611560294 460398782 /nfs/dbraw/zinc/39/87/82/460398782.db2.gz PZVVYZOFWQHCRI-OAHLLOKOSA-N 1 2 346.774 3.454 10 5 EGBELO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](CCF)C2)o1 ZINC000600205964 460439687 /nfs/dbraw/zinc/43/96/87/460439687.db2.gz VUVUYAHSDHFTRK-CYBMUJFWSA-N 1 2 334.347 3.415 10 5 EGBELO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@H](CCF)C2)o1 ZINC000600205964 460439695 /nfs/dbraw/zinc/43/96/95/460439695.db2.gz VUVUYAHSDHFTRK-CYBMUJFWSA-N 1 2 334.347 3.415 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000178245377 534094007 /nfs/dbraw/zinc/09/40/07/534094007.db2.gz QZEJLBBYIVQSER-RYUDHWBXSA-N 1 2 331.338 3.224 10 5 EGBELO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041638 1296690960 /nfs/dbraw/zinc/69/09/60/1296690960.db2.gz VLPNRDVXUYLUSA-LBPRGKRZSA-N 1 2 337.395 3.176 10 5 EGBELO C[C@H](c1ccc(F)nc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000929247638 1328548679 /nfs/dbraw/zinc/54/86/79/1328548679.db2.gz VHIXLSZCRQAVOP-CYBMUJFWSA-N 1 2 330.363 3.012 10 5 EGBELO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccnn1C ZINC000865838470 1329744168 /nfs/dbraw/zinc/74/41/68/1329744168.db2.gz JETMIYZUAZXGTG-LLVKDONJSA-N 1 2 343.412 3.303 10 5 EGBELO CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC001128281772 1373245651 /nfs/dbraw/zinc/24/56/51/1373245651.db2.gz AFSVOPJVZFDQAH-QWHCGFSZSA-N 1 2 328.372 3.041 10 5 EGBELO Cc1cc(CNC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001299550891 1383565513 /nfs/dbraw/zinc/56/55/13/1383565513.db2.gz PSBDXFUTCCRARC-UHFFFAOYSA-N 1 2 333.775 3.119 10 5 EGBELO CCC[N@H+](CCNC(=O)CC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001714646682 1419422469 /nfs/dbraw/zinc/42/24/69/1419422469.db2.gz MDXWHNKOIRJUMT-UHFFFAOYSA-N 1 2 341.477 3.421 10 5 EGBELO CCC[N@@H+](CCNC(=O)CC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC001714646682 1419422470 /nfs/dbraw/zinc/42/24/70/1419422470.db2.gz MDXWHNKOIRJUMT-UHFFFAOYSA-N 1 2 341.477 3.421 10 5 EGBELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000167808497 529750148 /nfs/dbraw/zinc/75/01/48/529750148.db2.gz RPXLTDJVTRPUKR-OCCSQVGLSA-N 1 2 329.404 3.243 10 5 EGBELO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000174682082 144050423 /nfs/dbraw/zinc/05/04/23/144050423.db2.gz HIWSHXQFDIBZKE-UHFFFAOYSA-N 1 2 338.314 3.269 10 5 EGBELO Cc1ccsc1[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351819808 144311538 /nfs/dbraw/zinc/31/15/38/144311538.db2.gz BSOKOOVTLIBRBP-ZDUSSCGKSA-N 1 2 328.340 3.066 10 5 EGBELO COc1cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000337245549 163178102 /nfs/dbraw/zinc/17/81/02/163178102.db2.gz HGUSLLNNVRTACA-OAHLLOKOSA-N 1 2 330.388 3.064 10 5 EGBELO COc1cc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000337245549 163178104 /nfs/dbraw/zinc/17/81/04/163178104.db2.gz HGUSLLNNVRTACA-OAHLLOKOSA-N 1 2 330.388 3.064 10 5 EGBELO Cc1cn2cc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000343824060 164043766 /nfs/dbraw/zinc/04/37/66/164043766.db2.gz LBNQBQZCXNYFIH-UHFFFAOYSA-N 1 2 342.380 3.282 10 5 EGBELO COc1cccc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000167528055 226193991 /nfs/dbraw/zinc/19/39/91/226193991.db2.gz GZHPXLQXQDDHIV-GOSISDBHSA-N 1 2 328.368 3.177 10 5 EGBELO COc1cccc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000167528055 226193993 /nfs/dbraw/zinc/19/39/93/226193993.db2.gz GZHPXLQXQDDHIV-GOSISDBHSA-N 1 2 328.368 3.177 10 5 EGBELO C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000276538400 267569982 /nfs/dbraw/zinc/56/99/82/267569982.db2.gz CVLRHCQSPVBAFG-SUMWQHHRSA-N 1 2 337.383 3.427 10 5 EGBELO CCOC(=O)C(F)(F)[C@@]1([NH3+])CCC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000095642919 276272720 /nfs/dbraw/zinc/27/27/20/276272720.db2.gz VSIMRJQCWWLCFB-OAHLLOKOSA-N 1 2 342.342 3.019 10 5 EGBELO Cc1ccc(C2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)c[nH+]1 ZINC000363675954 308897558 /nfs/dbraw/zinc/89/75/58/308897558.db2.gz VDMMEKJUNHDFFO-UHFFFAOYSA-N 1 2 343.412 3.391 10 5 EGBELO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448220 309480653 /nfs/dbraw/zinc/48/06/53/309480653.db2.gz RAUXJWAUZIJFHL-UWVGGRQHSA-N 1 2 343.221 3.091 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450928084 310150245 /nfs/dbraw/zinc/15/02/45/310150245.db2.gz DVHXTVONTOODST-UHFFFAOYSA-N 1 2 331.347 3.156 10 5 EGBELO CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248726 314034658 /nfs/dbraw/zinc/03/46/58/314034658.db2.gz YIKLESIYJJXZHH-OAHLLOKOSA-N 1 2 347.459 3.284 10 5 EGBELO CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535248726 314034660 /nfs/dbraw/zinc/03/46/60/314034660.db2.gz YIKLESIYJJXZHH-OAHLLOKOSA-N 1 2 347.459 3.284 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000157871841 455242280 /nfs/dbraw/zinc/24/22/80/455242280.db2.gz WXTHODLGDSTAHF-OAHLLOKOSA-N 1 2 334.397 3.109 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000157871841 455242285 /nfs/dbraw/zinc/24/22/85/455242285.db2.gz WXTHODLGDSTAHF-OAHLLOKOSA-N 1 2 334.397 3.109 10 5 EGBELO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000158017646 455259988 /nfs/dbraw/zinc/25/99/88/455259988.db2.gz XLSWEIBFVVGEBJ-MRXNPFEDSA-N 1 2 348.424 3.499 10 5 EGBELO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000158017646 455259989 /nfs/dbraw/zinc/25/99/89/455259989.db2.gz XLSWEIBFVVGEBJ-MRXNPFEDSA-N 1 2 348.424 3.499 10 5 EGBELO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cccs1 ZINC000032475857 453874617 /nfs/dbraw/zinc/87/46/17/453874617.db2.gz MPZUSCIHFVWSGG-LLVKDONJSA-N 1 2 342.380 3.333 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@H+](Cc2nc(-c3ccoc3)no2)C2CC2)cc1 ZINC000130723669 454214292 /nfs/dbraw/zinc/21/42/92/454214292.db2.gz MSWBYVRDGLHEHV-UHFFFAOYSA-N 1 2 340.339 3.402 10 5 EGBELO O=[N+]([O-])c1ccc(C[N@@H+](Cc2nc(-c3ccoc3)no2)C2CC2)cc1 ZINC000130723669 454214297 /nfs/dbraw/zinc/21/42/97/454214297.db2.gz MSWBYVRDGLHEHV-UHFFFAOYSA-N 1 2 340.339 3.402 10 5 EGBELO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046289275 454237722 /nfs/dbraw/zinc/23/77/22/454237722.db2.gz HJCCUBCSPWDEBP-UHFFFAOYSA-N 1 2 349.778 3.031 10 5 EGBELO O=[N+]([O-])c1ccc(NCc2cccnc2-n2cc[nH+]c2)c2ccncc21 ZINC000073291963 454416983 /nfs/dbraw/zinc/41/69/83/454416983.db2.gz ROMQKCPPCNLOEA-UHFFFAOYSA-N 1 2 346.350 3.336 10 5 EGBELO COc1cc(F)c([N+](=O)[O-])c(NCc2cn3cccc(C)c3[nH+]2)c1 ZINC000091628399 454452289 /nfs/dbraw/zinc/45/22/89/454452289.db2.gz UGGORRYEXHZZIS-UHFFFAOYSA-N 1 2 330.319 3.311 10 5 EGBELO Cc1ccc(C[S@@](=O)CCCOc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000600910098 460639987 /nfs/dbraw/zinc/63/99/87/460639987.db2.gz UPPCPBKSUZVPPG-DEOSSOPVSA-N 1 2 348.424 3.324 10 5 EGBELO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153083946 454758834 /nfs/dbraw/zinc/75/88/34/454758834.db2.gz AUTVFGNVEWSSEX-NPCAHTBFSA-N 1 2 345.443 3.036 10 5 EGBELO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153083946 454758836 /nfs/dbraw/zinc/75/88/36/454758836.db2.gz AUTVFGNVEWSSEX-NPCAHTBFSA-N 1 2 345.443 3.036 10 5 EGBELO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153293474 454779689 /nfs/dbraw/zinc/77/96/89/454779689.db2.gz FNZLKCRVUIAJMC-RBSFLKMASA-N 1 2 345.443 3.131 10 5 EGBELO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153293474 454779692 /nfs/dbraw/zinc/77/96/92/454779692.db2.gz FNZLKCRVUIAJMC-RBSFLKMASA-N 1 2 345.443 3.131 10 5 EGBELO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000108141547 454787673 /nfs/dbraw/zinc/78/76/73/454787673.db2.gz ZAVXCAOAXQEOFK-SWLSCSKDSA-N 1 2 349.774 3.016 10 5 EGBELO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000108141547 454787676 /nfs/dbraw/zinc/78/76/76/454787676.db2.gz ZAVXCAOAXQEOFK-SWLSCSKDSA-N 1 2 349.774 3.016 10 5 EGBELO Cc1cc(N(C)[C@H](CO)CC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000185878289 455641682 /nfs/dbraw/zinc/64/16/82/455641682.db2.gz HXCZKEMBRSDMEB-INIZCTEOSA-N 1 2 344.415 3.203 10 5 EGBELO COc1cc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000301637184 456170187 /nfs/dbraw/zinc/17/01/87/456170187.db2.gz XGFHJQAOTQXXDE-UHFFFAOYSA-N 1 2 346.362 3.218 10 5 EGBELO COc1cc(C[N@H+](C)Cc2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000352783726 456302562 /nfs/dbraw/zinc/30/25/62/456302562.db2.gz LBYFQXUWPOTBKV-UHFFFAOYSA-N 1 2 327.340 3.377 10 5 EGBELO COc1cc(C[N@@H+](C)Cc2nc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000352783726 456302572 /nfs/dbraw/zinc/30/25/72/456302572.db2.gz LBYFQXUWPOTBKV-UHFFFAOYSA-N 1 2 327.340 3.377 10 5 EGBELO Cc1cn2cc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)ccc2[nH+]1 ZINC000342907515 456305031 /nfs/dbraw/zinc/30/50/31/456305031.db2.gz PQPFZNOIZSKNEA-UHFFFAOYSA-N 1 2 335.323 3.285 10 5 EGBELO CCOC(=O)c1sc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1C ZINC000348498340 456716542 /nfs/dbraw/zinc/71/65/42/456716542.db2.gz SZUNKKNZPWTDKA-NSHDSACASA-N 1 2 349.412 3.387 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000340107217 457335101 /nfs/dbraw/zinc/33/51/01/457335101.db2.gz USKJLSWDXSBBHO-UHFFFAOYSA-N 1 2 346.818 3.274 10 5 EGBELO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000376119325 458203345 /nfs/dbraw/zinc/20/33/45/458203345.db2.gz VUPQCFQYVOMADJ-UHFFFAOYSA-N 1 2 329.747 3.441 10 5 EGBELO O=[N+]([O-])c1cc(C[NH+]2CCC(Oc3cnccn3)CC2)ccc1Cl ZINC000369671891 458311661 /nfs/dbraw/zinc/31/16/61/458311661.db2.gz WNLXTXLUWBVBET-UHFFFAOYSA-N 1 2 348.790 3.082 10 5 EGBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459750899 458468721 /nfs/dbraw/zinc/46/87/21/458468721.db2.gz AREDTYMEPLQPHO-MRXNPFEDSA-N 1 2 348.786 3.004 10 5 EGBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459750899 458468725 /nfs/dbraw/zinc/46/87/25/458468725.db2.gz AREDTYMEPLQPHO-MRXNPFEDSA-N 1 2 348.786 3.004 10 5 EGBELO Cn1c2ccc(Cl)cc2[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000463497872 458704756 /nfs/dbraw/zinc/70/47/56/458704756.db2.gz OQOIFSXGLSSCIR-UHFFFAOYSA-N 1 2 334.738 3.308 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000595760352 459429485 /nfs/dbraw/zinc/42/94/85/459429485.db2.gz QLFSLBNMEWFGJK-SFHVURJKSA-N 1 2 346.358 3.186 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2c2cccc(F)c2)c1 ZINC000595760352 459429488 /nfs/dbraw/zinc/42/94/88/459429488.db2.gz QLFSLBNMEWFGJK-SFHVURJKSA-N 1 2 346.358 3.186 10 5 EGBELO CCOc1cc(C[N@@H+]2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000595845185 459462351 /nfs/dbraw/zinc/46/23/51/459462351.db2.gz LFLCXAFHFOCMHR-UHFFFAOYSA-N 1 2 344.367 3.094 10 5 EGBELO CCOc1cc(C[N@H+]2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000595845185 459462356 /nfs/dbraw/zinc/46/23/56/459462356.db2.gz LFLCXAFHFOCMHR-UHFFFAOYSA-N 1 2 344.367 3.094 10 5 EGBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H](c3[nH]c4ccccc4[nH+]3)C2)nc1 ZINC000591972521 459500740 /nfs/dbraw/zinc/50/07/40/459500740.db2.gz RECNIGGEJDQMNL-NWDGAFQWSA-N 1 2 338.371 3.399 10 5 EGBELO COc1cc(NCc2[nH+]ccn2CC(F)(F)F)c([N+](=O)[O-])cc1C ZINC000596110051 459524530 /nfs/dbraw/zinc/52/45/30/459524530.db2.gz IRJPZRXBUYHICP-UHFFFAOYSA-N 1 2 344.293 3.283 10 5 EGBELO O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000596233155 459569136 /nfs/dbraw/zinc/56/91/36/459569136.db2.gz YUOGFWFAXWGYBD-HAQNSBGRSA-N 1 2 347.806 3.295 10 5 EGBELO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000499262761 459630843 /nfs/dbraw/zinc/63/08/43/459630843.db2.gz IIAHDWPVSMWKOI-ZDUSSCGKSA-N 1 2 347.793 3.410 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000499262761 459630847 /nfs/dbraw/zinc/63/08/47/459630847.db2.gz IIAHDWPVSMWKOI-ZDUSSCGKSA-N 1 2 347.793 3.410 10 5 EGBELO COCCC1C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000597182944 459866552 /nfs/dbraw/zinc/86/65/52/459866552.db2.gz FSOJRUZEUSPBKJ-UHFFFAOYSA-N 1 2 333.413 3.187 10 5 EGBELO Cc1cc(NCC[C@@H]2CC2(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000598635094 459972073 /nfs/dbraw/zinc/97/20/73/459972073.db2.gz BAYXVVPYVYVOCU-GFCCVEGCSA-N 1 2 334.326 3.239 10 5 EGBELO O=C(C[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000588977667 460014751 /nfs/dbraw/zinc/01/47/51/460014751.db2.gz GCXYAIVFMCPIDI-GFCCVEGCSA-N 1 2 337.807 3.309 10 5 EGBELO O=C(C[N@H+]1CCC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000588977667 460014757 /nfs/dbraw/zinc/01/47/57/460014757.db2.gz GCXYAIVFMCPIDI-GFCCVEGCSA-N 1 2 337.807 3.309 10 5 EGBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C2CCCC1CCC2 ZINC000610235897 460090906 /nfs/dbraw/zinc/09/09/06/460090906.db2.gz HOKMULCVVITVMY-UHFFFAOYSA-N 1 2 340.383 3.328 10 5 EGBELO CCOC(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1 ZINC000599049475 460140939 /nfs/dbraw/zinc/14/09/39/460140939.db2.gz YCOPAVPGMHNPBZ-UHFFFAOYSA-N 1 2 329.356 3.288 10 5 EGBELO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000599443032 460255197 /nfs/dbraw/zinc/25/51/97/460255197.db2.gz HIDPGQBVZFCLOD-UHFFFAOYSA-N 1 2 349.774 3.062 10 5 EGBELO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000599443032 460255201 /nfs/dbraw/zinc/25/52/01/460255201.db2.gz HIDPGQBVZFCLOD-UHFFFAOYSA-N 1 2 349.774 3.062 10 5 EGBELO O=c1ccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000599640108 460296052 /nfs/dbraw/zinc/29/60/52/460296052.db2.gz BTBSYEFIUKONDZ-CYBMUJFWSA-N 1 2 334.763 3.081 10 5 EGBELO O=c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000599640108 460296057 /nfs/dbraw/zinc/29/60/57/460296057.db2.gz BTBSYEFIUKONDZ-CYBMUJFWSA-N 1 2 334.763 3.081 10 5 EGBELO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](CCF)C3)o2)cc1 ZINC000600204895 460437732 /nfs/dbraw/zinc/43/77/32/460437732.db2.gz OIADZRZBKWBIHN-HNNXBMFYSA-N 1 2 334.347 3.415 10 5 EGBELO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H](CCF)C3)o2)cc1 ZINC000600204895 460437737 /nfs/dbraw/zinc/43/77/37/460437737.db2.gz OIADZRZBKWBIHN-HNNXBMFYSA-N 1 2 334.347 3.415 10 5 EGBELO CC[N@H+](C)[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000745103059 576841323 /nfs/dbraw/zinc/84/13/23/576841323.db2.gz ZGNIPZBNKWLFEN-HNNXBMFYSA-N 1 2 334.397 3.393 10 5 EGBELO CC[N@@H+](C)[C@H](C(=O)OCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000745103059 576841324 /nfs/dbraw/zinc/84/13/24/576841324.db2.gz ZGNIPZBNKWLFEN-HNNXBMFYSA-N 1 2 334.397 3.393 10 5 EGBELO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041635 1296692809 /nfs/dbraw/zinc/69/28/09/1296692809.db2.gz VLPNRDVXUYLUSA-GFCCVEGCSA-N 1 2 337.395 3.176 10 5 EGBELO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872047419 1296699946 /nfs/dbraw/zinc/69/99/46/1296699946.db2.gz BNOSHUGGKZZFFS-WFASDCNBSA-N 1 2 349.406 3.318 10 5 EGBELO O=C(NC1CCC=CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000895205678 1309239681 /nfs/dbraw/zinc/23/96/81/1309239681.db2.gz FYIMDTPUPKUMNB-UHFFFAOYSA-N 1 2 326.356 3.009 10 5 EGBELO Cc1nn(Cc2c[nH+]c(N(C)C)c3ccccc23)c(C)c1[N+](=O)[O-] ZINC000915323226 1319467630 /nfs/dbraw/zinc/46/76/30/1319467630.db2.gz YHOABZAVNFFUSC-UHFFFAOYSA-N 1 2 325.372 3.071 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921687375 1322378567 /nfs/dbraw/zinc/37/85/67/1322378567.db2.gz DCQVNRQGQKPBPH-UHFFFAOYSA-N 1 2 336.779 3.147 10 5 EGBELO COc1cc(C[NH2+]Cc2c(F)cc(C)cc2F)c([N+](=O)[O-])cc1O ZINC000922946118 1322655794 /nfs/dbraw/zinc/65/57/94/1322655794.db2.gz CUIWHFLTBSZHFT-UHFFFAOYSA-N 1 2 338.310 3.185 10 5 EGBELO C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000926927885 1327781279 /nfs/dbraw/zinc/78/12/79/1327781279.db2.gz VVGKTYIDSWNTSQ-MRVPVSSYSA-N 1 2 346.284 3.337 10 5 EGBELO O=[N+]([O-])c1cc(C[NH2+]Cc2cn(C3CC3)cn2)cc(C(F)(F)F)c1 ZINC000865545933 1329711939 /nfs/dbraw/zinc/71/19/39/1329711939.db2.gz QZRPWXKFEZTJSO-UHFFFAOYSA-N 1 2 340.305 3.435 10 5 EGBELO O=[N+]([O-])c1cnc(NCc2ccn3cc[nH+]c3c2)c(C(F)(F)F)c1 ZINC001185767348 1387793934 /nfs/dbraw/zinc/79/39/34/1387793934.db2.gz TYBQHKMTJWDUAG-UHFFFAOYSA-N 1 2 337.261 3.268 10 5 EGBELO CC[C@@H]([NH2+]Cc1nc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001192814244 1367880240 /nfs/dbraw/zinc/88/02/40/1367880240.db2.gz FYJUKNMSNYQHQR-OAHLLOKOSA-N 1 2 338.367 3.485 10 5 EGBELO C[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC001129594894 1373401141 /nfs/dbraw/zinc/40/11/41/1373401141.db2.gz ZLGAEQYHFRVDHA-JTQLQIEISA-N 1 2 328.303 3.124 10 5 EGBELO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC001181021949 1386918022 /nfs/dbraw/zinc/91/80/22/1386918022.db2.gz MLIUCTXDDJNAJQ-AWEZNQCLSA-N 1 2 339.395 3.289 10 5 EGBELO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC001181021949 1386918027 /nfs/dbraw/zinc/91/80/27/1386918027.db2.gz MLIUCTXDDJNAJQ-AWEZNQCLSA-N 1 2 339.395 3.289 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1CN1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000183335741 235014852 /nfs/dbraw/zinc/01/48/52/235014852.db2.gz KQLBUBXJHGVGDX-UHFFFAOYSA-N 1 2 328.416 3.318 10 5 EGBELO O=[N+]([O-])c1ccc2c(c1)nc(Cn1cc[nH+]c1)n2-c1ccc(F)cc1 ZINC000011407965 211215388 /nfs/dbraw/zinc/21/53/88/211215388.db2.gz CKGFGZCYBHAJRI-UHFFFAOYSA-N 1 2 337.314 3.318 10 5 EGBELO O=c1c2ccccc2oc2nc3ccc(C[NH+]4CCOCC4)cc3cc12 ZINC000012788497 285213270 /nfs/dbraw/zinc/21/32/70/285213270.db2.gz PHASARDSGKVVNZ-UHFFFAOYSA-N 1 2 346.386 3.327 10 5 EGBELO COc1cccc(NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000185190721 144106560 /nfs/dbraw/zinc/10/65/60/144106560.db2.gz GOLWHQNDOXAVRB-UHFFFAOYSA-N 1 2 338.367 3.460 10 5 EGBELO COc1cc(F)ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115550635 152017491 /nfs/dbraw/zinc/01/74/91/152017491.db2.gz MMFJTAVCZBRNFF-UHFFFAOYSA-N 1 2 345.374 3.065 10 5 EGBELO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000116277813 152056042 /nfs/dbraw/zinc/05/60/42/152056042.db2.gz LZHZKPAGCZOBDZ-UHFFFAOYSA-N 1 2 347.806 3.115 10 5 EGBELO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000131508931 162402867 /nfs/dbraw/zinc/40/28/67/162402867.db2.gz DPXFIMQMZHAXPE-UHFFFAOYSA-N 1 2 348.428 3.099 10 5 EGBELO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346545471 164394105 /nfs/dbraw/zinc/39/41/05/164394105.db2.gz ATMARBWMUQERQY-SFHVURJKSA-N 1 2 338.342 3.403 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(NCCc2[nH]c3ccc(F)cc3[nH+]2)n1 ZINC000359102620 167067465 /nfs/dbraw/zinc/06/74/65/167067465.db2.gz SRAOJNIFYFYJEJ-UHFFFAOYSA-N 1 2 329.335 3.277 10 5 EGBELO O=[N+]([O-])c1ccc(Cl)cc1NCc1cccnc1-n1cc[nH+]c1 ZINC000367643986 168254496 /nfs/dbraw/zinc/25/44/96/168254496.db2.gz MPZHJNMDCZXTLM-UHFFFAOYSA-N 1 2 329.747 3.441 10 5 EGBELO O=[N+]([O-])c1cc(F)c(NC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000301811282 308716331 /nfs/dbraw/zinc/71/63/31/308716331.db2.gz YAINHCCKIAIAPI-UHFFFAOYSA-N 1 2 334.326 3.349 10 5 EGBELO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436782189 309773769 /nfs/dbraw/zinc/77/37/69/309773769.db2.gz HWAXCOULNBKLDI-UHFFFAOYSA-N 1 2 349.431 3.027 10 5 EGBELO COc1ccc([N+](=O)[O-])cc1OCc1c[nH+]cn1Cc1ccccc1 ZINC000437606669 309795680 /nfs/dbraw/zinc/79/56/80/309795680.db2.gz VGIBUKGCTAXZSO-UHFFFAOYSA-N 1 2 339.351 3.427 10 5 EGBELO C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000488076164 311050327 /nfs/dbraw/zinc/05/03/27/311050327.db2.gz DTAHQBWTPWWTBW-SUMWQHHRSA-N 1 2 337.383 3.427 10 5 EGBELO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000180399426 323439281 /nfs/dbraw/zinc/43/92/81/323439281.db2.gz OIXYQUDQBRHSSI-CYBMUJFWSA-N 1 2 337.383 3.241 10 5 EGBELO O=[N+]([O-])c1ccc(C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000237997715 455243461 /nfs/dbraw/zinc/24/34/61/455243461.db2.gz NJKMQSYFBQMLAF-UHFFFAOYSA-N 1 2 328.372 3.414 10 5 EGBELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066851609 453880645 /nfs/dbraw/zinc/88/06/45/453880645.db2.gz YCZFCTMFGIHRBH-DNVCBOLYSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000066851609 453880648 /nfs/dbraw/zinc/88/06/48/453880648.db2.gz YCZFCTMFGIHRBH-DNVCBOLYSA-N 1 2 342.395 3.436 10 5 EGBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000184590268 455408995 /nfs/dbraw/zinc/40/89/95/455408995.db2.gz VVBMOBKPWGVPJZ-KGLIPLIRSA-N 1 2 346.456 3.491 10 5 EGBELO CCOc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC000071478571 454207657 /nfs/dbraw/zinc/20/76/57/454207657.db2.gz FBTQPYBXAYVXBP-UHFFFAOYSA-N 1 2 340.339 3.202 10 5 EGBELO Cc1cnc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000091628964 454451788 /nfs/dbraw/zinc/45/17/88/454451788.db2.gz OSAHNVTWHNIWMT-CQSZACIVSA-N 1 2 344.390 3.321 10 5 EGBELO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178671904 454967634 /nfs/dbraw/zinc/96/76/34/454967634.db2.gz MFDRZKBLCQWPEE-CVEARBPZSA-N 1 2 331.347 3.001 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265832371 455390039 /nfs/dbraw/zinc/39/00/39/455390039.db2.gz DJINEJASYSVGIH-ZDUSSCGKSA-N 1 2 348.424 3.191 10 5 EGBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265832371 455390042 /nfs/dbraw/zinc/39/00/42/455390042.db2.gz DJINEJASYSVGIH-ZDUSSCGKSA-N 1 2 348.424 3.191 10 5 EGBELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)o1 ZINC000182569044 455543678 /nfs/dbraw/zinc/54/36/78/455543678.db2.gz CLCPTHVHCSFUHU-LLVKDONJSA-N 1 2 328.328 3.397 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C)c2nccs2)CC1 ZINC000185619186 455585904 /nfs/dbraw/zinc/58/59/04/455585904.db2.gz ILMAODNRLYGTQR-AWEZNQCLSA-N 1 2 346.456 3.239 10 5 EGBELO COc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000271057990 456115683 /nfs/dbraw/zinc/11/56/83/456115683.db2.gz BGGNGKDOMQFSEV-ABAIWWIYSA-N 1 2 334.351 3.027 10 5 EGBELO COc1cc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c([N+](=O)[O-])cc1F ZINC000301726120 456199050 /nfs/dbraw/zinc/19/90/50/456199050.db2.gz PYVCOLMUDZKPMA-UHFFFAOYSA-N 1 2 348.309 3.413 10 5 EGBELO CN(C)c1[nH+]cccc1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302073343 456279836 /nfs/dbraw/zinc/27/98/36/456279836.db2.gz ZVTGXKQTVUMCKW-UHFFFAOYSA-N 1 2 338.314 3.269 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(OC(F)F)cc1)CC2 ZINC000353002475 456441164 /nfs/dbraw/zinc/44/11/64/456441164.db2.gz FNHZZVFUELAEDK-UHFFFAOYSA-N 1 2 335.310 3.150 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(OC(F)F)cc1)CC2 ZINC000353002475 456441170 /nfs/dbraw/zinc/44/11/70/456441170.db2.gz FNHZZVFUELAEDK-UHFFFAOYSA-N 1 2 335.310 3.150 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(NCCCc2cccc(C)[nH+]2)c1 ZINC000343222993 456462951 /nfs/dbraw/zinc/46/29/51/456462951.db2.gz OVJOYYPUWUJNNZ-UHFFFAOYSA-N 1 2 329.356 3.130 10 5 EGBELO Cn1c[nH+]cc1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000357606279 457618268 /nfs/dbraw/zinc/61/82/68/457618268.db2.gz MNNPCVBSUDCCIE-UHFFFAOYSA-N 1 2 336.351 3.171 10 5 EGBELO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373813650 458611611 /nfs/dbraw/zinc/61/16/11/458611611.db2.gz UWUDBSMCVHJSMG-HOCLYGCPSA-N 1 2 340.807 3.018 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373813650 458611617 /nfs/dbraw/zinc/61/16/17/458611617.db2.gz UWUDBSMCVHJSMG-HOCLYGCPSA-N 1 2 340.807 3.018 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470933330 458667024 /nfs/dbraw/zinc/66/70/24/458667024.db2.gz RGMABJPRDAWWFY-ZYHUDNBSSA-N 1 2 345.321 3.114 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470933330 458667030 /nfs/dbraw/zinc/66/70/30/458667030.db2.gz RGMABJPRDAWWFY-ZYHUDNBSSA-N 1 2 345.321 3.114 10 5 EGBELO COc1cc(NCc2cn3ccc(C)cc3[nH+]2)c([N+](=O)[O-])cc1C ZINC000590573577 459152467 /nfs/dbraw/zinc/15/24/67/459152467.db2.gz CYSWTMIPFDQXQW-UHFFFAOYSA-N 1 2 326.356 3.480 10 5 EGBELO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ncnn21 ZINC000594957414 459191972 /nfs/dbraw/zinc/19/19/72/459191972.db2.gz OIJJNVQTRXHBNQ-RISCZKNCSA-N 1 2 339.355 3.242 10 5 EGBELO C[C@H]1C[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1C ZINC000559349943 459254770 /nfs/dbraw/zinc/25/47/70/459254770.db2.gz VLEIGEYUROQPTI-IUCAKERBSA-N 1 2 346.168 3.040 10 5 EGBELO C[C@H]1C[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)[C@H]1C ZINC000559349943 459254766 /nfs/dbraw/zinc/25/47/66/459254766.db2.gz VLEIGEYUROQPTI-IUCAKERBSA-N 1 2 346.168 3.040 10 5 EGBELO COc1cc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000540907980 459401809 /nfs/dbraw/zinc/40/18/09/459401809.db2.gz UESJFCULWHACOX-IBGZPJMESA-N 1 2 342.395 3.485 10 5 EGBELO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000540907980 459401811 /nfs/dbraw/zinc/40/18/11/459401811.db2.gz UESJFCULWHACOX-IBGZPJMESA-N 1 2 342.395 3.485 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000595760348 459429589 /nfs/dbraw/zinc/42/95/89/459429589.db2.gz QLFSLBNMEWFGJK-GOSISDBHSA-N 1 2 346.358 3.186 10 5 EGBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)c1 ZINC000595760348 459429595 /nfs/dbraw/zinc/42/95/95/459429595.db2.gz QLFSLBNMEWFGJK-GOSISDBHSA-N 1 2 346.358 3.186 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000541769449 459490078 /nfs/dbraw/zinc/49/00/78/459490078.db2.gz XXTYSTYKCDIGAO-LJQANCHMSA-N 1 2 325.412 3.392 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000541769449 459490084 /nfs/dbraw/zinc/49/00/84/459490084.db2.gz XXTYSTYKCDIGAO-LJQANCHMSA-N 1 2 325.412 3.392 10 5 EGBELO O=[N+]([O-])c1cnccc1N[C@H]1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000591971617 459500995 /nfs/dbraw/zinc/50/09/95/459500995.db2.gz JXEMZDUXGMNFHY-OLZOCXBDSA-N 1 2 337.383 3.426 10 5 EGBELO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1CC(F)F ZINC000542048017 459523379 /nfs/dbraw/zinc/52/33/79/459523379.db2.gz WNLWWNREYJWOQG-GFCCVEGCSA-N 1 2 347.793 3.410 10 5 EGBELO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1CC(F)F ZINC000542048017 459523386 /nfs/dbraw/zinc/52/33/86/459523386.db2.gz WNLWWNREYJWOQG-GFCCVEGCSA-N 1 2 347.793 3.410 10 5 EGBELO O=C1NCCC[C@H]1Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000486999001 459525111 /nfs/dbraw/zinc/52/51/11/459525111.db2.gz OYIRMCSVYNBUAP-MRXNPFEDSA-N 1 2 348.431 3.406 10 5 EGBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H](CC(F)(F)F)C3)c2c1 ZINC000596558969 459676197 /nfs/dbraw/zinc/67/61/97/459676197.db2.gz VUOIVVBHUHPRPD-GFCCVEGCSA-N 1 2 341.289 3.301 10 5 EGBELO COC(=O)c1ccc2c(c1)C[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609313358 459941410 /nfs/dbraw/zinc/94/14/10/459941410.db2.gz WEFUYYKMUZGMQP-LBPRGKRZSA-N 1 2 326.352 3.458 10 5 EGBELO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609313358 459941420 /nfs/dbraw/zinc/94/14/20/459941420.db2.gz WEFUYYKMUZGMQP-LBPRGKRZSA-N 1 2 326.352 3.458 10 5 EGBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1F)[C@H](C)O ZINC000593660036 459942889 /nfs/dbraw/zinc/94/28/89/459942889.db2.gz YXALXXPMWLGFRP-SGTLLEGYSA-N 1 2 348.374 3.344 10 5 EGBELO Cc1noc([C@H]2CCCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)n1 ZINC000599026541 460130588 /nfs/dbraw/zinc/13/05/88/460130588.db2.gz HIUPOZMKLCYJQF-ZDUSSCGKSA-N 1 2 339.355 3.218 10 5 EGBELO O=[N+]([O-])c1c(NCCCOC2CCOCC2)ccc2c[nH+]ccc21 ZINC000599051497 460141111 /nfs/dbraw/zinc/14/11/11/460141111.db2.gz UOAYWFDBBUZNDE-UHFFFAOYSA-N 1 2 331.372 3.141 10 5 EGBELO O=[N+]([O-])c1c(N[C@@H]([C@@H](CO)C2CC2)C2CC2)ccc2c[nH+]ccc21 ZINC000599084224 460156260 /nfs/dbraw/zinc/15/62/60/460156260.db2.gz QBKXNCSLQXRCSV-DOTOQJQBSA-N 1 2 327.384 3.352 10 5 EGBELO Cc1cc[nH+]c([C@H]2CCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)c1 ZINC000599103675 460161576 /nfs/dbraw/zinc/16/15/76/460161576.db2.gz XRPSKCIHHUMWDU-ZDUSSCGKSA-N 1 2 335.367 3.235 10 5 EGBELO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000599110934 460164305 /nfs/dbraw/zinc/16/43/05/460164305.db2.gz HJNYCDNSNAIDNU-MGPLVRAMSA-N 1 2 337.326 3.392 10 5 EGBELO O=[N+]([O-])c1ccsc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599180214 460190835 /nfs/dbraw/zinc/19/08/35/460190835.db2.gz WHGJHAFZHSSBCS-UHFFFAOYSA-N 1 2 342.424 3.460 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180213 460302200 /nfs/dbraw/zinc/30/22/00/460302200.db2.gz UTDIJBOHSLJOTJ-BDAKNGLRSA-N 1 2 347.749 3.162 10 5 EGBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180213 460302207 /nfs/dbraw/zinc/30/22/07/460302207.db2.gz UTDIJBOHSLJOTJ-BDAKNGLRSA-N 1 2 347.749 3.162 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000611616507 460415206 /nfs/dbraw/zinc/41/52/06/460415206.db2.gz URFNXOZCNLCPBG-UHFFFAOYSA-N 1 2 329.404 3.026 10 5 EGBELO O=[N+]([O-])c1cnccc1N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000601187017 460743050 /nfs/dbraw/zinc/74/30/50/460743050.db2.gz KSFWMQVNWSTNGR-UHFFFAOYSA-N 1 2 337.383 3.325 10 5 EGBELO COC(=O)/C=C/c1ccc(NCCc2ccc(C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000732050615 575234273 /nfs/dbraw/zinc/23/42/73/575234273.db2.gz XCDOZIIEYPTEQS-SOFGYWHQSA-N 1 2 341.367 3.139 10 5 EGBELO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000930099461 1328784978 /nfs/dbraw/zinc/78/49/78/1328784978.db2.gz LAJBVXLVVGSDIW-BXUZGUMPSA-N 1 2 330.306 3.063 10 5 EGBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000930099461 1328784982 /nfs/dbraw/zinc/78/49/82/1328784982.db2.gz LAJBVXLVVGSDIW-BXUZGUMPSA-N 1 2 330.306 3.063 10 5 EGBELO Cn1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000859323831 1328968715 /nfs/dbraw/zinc/96/87/15/1328968715.db2.gz DOVMLPLVKQJMIU-CYBMUJFWSA-N 1 2 334.807 3.361 10 5 EGBELO Cn1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1Cl ZINC000859323831 1328968721 /nfs/dbraw/zinc/96/87/21/1328968721.db2.gz DOVMLPLVKQJMIU-CYBMUJFWSA-N 1 2 334.807 3.361 10 5 EGBELO Cc1cc(C)nc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001127376061 1373120922 /nfs/dbraw/zinc/12/09/22/1373120922.db2.gz KTHRKKDQGJUDJZ-UHFFFAOYSA-N 1 2 337.339 3.045 10 5 EGBELO Cc1cn2cc(Nc3c4ccccc4n(C)c(=O)c3[N+](=O)[O-])ccc2[nH+]1 ZINC001162568007 1382793405 /nfs/dbraw/zinc/79/34/05/1382793405.db2.gz LURGNXMOAYQMQZ-UHFFFAOYSA-N 1 2 349.350 3.146 10 5 EGBELO C[C@H](Nc1cccc(C(F)(F)F)c1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC001306962382 1383926346 /nfs/dbraw/zinc/92/63/46/1383926346.db2.gz NPUFVMKTMCGCPB-QWRGUYRKSA-N 1 2 347.337 3.135 10 5 EGBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344127174 1390757505 /nfs/dbraw/zinc/75/75/05/1390757505.db2.gz LUZNFRPYYRHDTE-GFCCVEGCSA-N 1 2 349.412 3.250 10 5 EGBELO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001354164421 1392123788 /nfs/dbraw/zinc/12/37/88/1392123788.db2.gz NCEOCLZLWIKSAH-UHFFFAOYSA-N 1 2 342.380 3.080 10 5 EGBELO CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001481374892 1394216728 /nfs/dbraw/zinc/21/67/28/1394216728.db2.gz CNNXNGKNPFMESA-HDICACEKSA-N 1 2 345.443 3.206 10 5 EGBELO CC(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001481374892 1394216734 /nfs/dbraw/zinc/21/67/34/1394216734.db2.gz CNNXNGKNPFMESA-HDICACEKSA-N 1 2 345.443 3.206 10 5 EGBELO CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000347916778 141216203 /nfs/dbraw/zinc/21/62/03/141216203.db2.gz KHAQTAINQOIHSK-LLVKDONJSA-N 1 2 334.401 3.039 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cc(F)cc3cccnc31)CC2 ZINC000353010603 141285239 /nfs/dbraw/zinc/28/52/39/141285239.db2.gz ZWPBTUCIHGNEBV-UHFFFAOYSA-N 1 2 338.342 3.235 10 5 EGBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cc(F)cc3cccnc31)CC2 ZINC000353010603 141285241 /nfs/dbraw/zinc/28/52/41/141285241.db2.gz ZWPBTUCIHGNEBV-UHFFFAOYSA-N 1 2 338.342 3.235 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000119815467 152228852 /nfs/dbraw/zinc/22/88/52/152228852.db2.gz CNWAIEKXIGPRRH-UHFFFAOYSA-N 1 2 345.403 3.386 10 5 EGBELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000325112179 154176437 /nfs/dbraw/zinc/17/64/37/154176437.db2.gz HBWGKCLEVQBMQK-OLZOCXBDSA-N 1 2 329.404 3.325 10 5 EGBELO Cc1ccncc1N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000343681064 164010673 /nfs/dbraw/zinc/01/06/73/164010673.db2.gz QCTRETVAJVPJEI-GQCTYLIASA-N 1 2 338.411 3.134 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116297375 275189379 /nfs/dbraw/zinc/18/93/79/275189379.db2.gz XDMDHIDZTMYUIJ-SWLSCSKDSA-N 1 2 329.356 3.352 10 5 EGBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116297375 275189380 /nfs/dbraw/zinc/18/93/80/275189380.db2.gz XDMDHIDZTMYUIJ-SWLSCSKDSA-N 1 2 329.356 3.352 10 5 EGBELO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000287712828 276150018 /nfs/dbraw/zinc/15/00/18/276150018.db2.gz DYPZWWRVIYJKLQ-SJKOYZFVSA-N 1 2 328.372 3.081 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248650254 308008531 /nfs/dbraw/zinc/00/85/31/308008531.db2.gz UQFYNGXABRCPOA-YJBOKZPZSA-N 1 2 348.349 3.489 10 5 EGBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248650254 308008532 /nfs/dbraw/zinc/00/85/32/308008532.db2.gz UQFYNGXABRCPOA-YJBOKZPZSA-N 1 2 348.349 3.489 10 5 EGBELO Cc1cc(N[C@@H]2CCCC[C@@H]2O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301274308 308694484 /nfs/dbraw/zinc/69/44/84/308694484.db2.gz YITIVDFRXDAPBH-CABCVRRESA-N 1 2 328.372 3.076 10 5 EGBELO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000412841405 309005493 /nfs/dbraw/zinc/00/54/93/309005493.db2.gz PCDNKFCUYOHKCT-UHFFFAOYSA-N 1 2 342.399 3.431 10 5 EGBELO Cc1cc[nH+]cc1N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413272417 309024471 /nfs/dbraw/zinc/02/44/71/309024471.db2.gz RGXCKPZFSNBHMU-UHFFFAOYSA-N 1 2 349.394 3.173 10 5 EGBELO Cc1cc(N2C[C@H](C)O[C@@H](C)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000445662315 309945135 /nfs/dbraw/zinc/94/51/35/309945135.db2.gz AAELHGODEKSDFK-IHRRRGAJSA-N 1 2 342.399 3.362 10 5 EGBELO CC(C)(C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)c1c[nH+]c[nH]1 ZINC000456138017 310390194 /nfs/dbraw/zinc/39/01/94/310390194.db2.gz JZSJMYDQMAZSEL-CQSZACIVSA-N 1 2 342.399 3.002 10 5 EGBELO CCn1cc([C@@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)cn1 ZINC000190785682 455382009 /nfs/dbraw/zinc/38/20/09/455382009.db2.gz CUDLIWBPJYOIFG-KSSFIOAISA-N 1 2 344.415 3.254 10 5 EGBELO CCn1cc([C@@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)cn1 ZINC000190785682 455382014 /nfs/dbraw/zinc/38/20/14/455382014.db2.gz CUDLIWBPJYOIFG-KSSFIOAISA-N 1 2 344.415 3.254 10 5 EGBELO Cc1cc(C)cc(OCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000612468206 460635888 /nfs/dbraw/zinc/63/58/88/460635888.db2.gz QJVASBYONAYGCP-UHFFFAOYSA-N 1 2 327.384 3.044 10 5 EGBELO Cc1cc(C)cc(OCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000612468206 460635891 /nfs/dbraw/zinc/63/58/91/460635891.db2.gz QJVASBYONAYGCP-UHFFFAOYSA-N 1 2 327.384 3.044 10 5 EGBELO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153293214 454779088 /nfs/dbraw/zinc/77/90/88/454779088.db2.gz FNZLKCRVUIAJMC-QLFBSQMISA-N 1 2 345.443 3.131 10 5 EGBELO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153293214 454779094 /nfs/dbraw/zinc/77/90/94/454779094.db2.gz FNZLKCRVUIAJMC-QLFBSQMISA-N 1 2 345.443 3.131 10 5 EGBELO CC(C)N(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000153384027 454787813 /nfs/dbraw/zinc/78/78/13/454787813.db2.gz SXSAFMOFOPYDEO-UHFFFAOYSA-N 1 2 345.443 3.133 10 5 EGBELO CC(C)N(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000153384027 454787818 /nfs/dbraw/zinc/78/78/18/454787818.db2.gz SXSAFMOFOPYDEO-UHFFFAOYSA-N 1 2 345.443 3.133 10 5 EGBELO Cc1[nH+]c2ccccc2n1CCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601100556 460709556 /nfs/dbraw/zinc/70/95/56/460709556.db2.gz NFJIQPQFZADWFQ-UHFFFAOYSA-N 1 2 329.335 3.289 10 5 EGBELO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1)CCCC2 ZINC000281772098 456315500 /nfs/dbraw/zinc/31/55/00/456315500.db2.gz DGBPQKKSUNDGJQ-LBPRGKRZSA-N 1 2 333.417 3.005 10 5 EGBELO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339044306 456913758 /nfs/dbraw/zinc/91/37/58/456913758.db2.gz QBNBXDQDZVDBTM-SGTLLEGYSA-N 1 2 328.368 3.124 10 5 EGBELO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339044306 456913761 /nfs/dbraw/zinc/91/37/61/456913761.db2.gz QBNBXDQDZVDBTM-SGTLLEGYSA-N 1 2 328.368 3.124 10 5 EGBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000339065540 456924578 /nfs/dbraw/zinc/92/45/78/456924578.db2.gz GQFPFISBBIHTOK-KSSFIOAISA-N 1 2 328.368 3.168 10 5 EGBELO Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341774761 456937981 /nfs/dbraw/zinc/93/79/81/456937981.db2.gz RFKLWKXGADPTPG-GFCCVEGCSA-N 1 2 338.367 3.130 10 5 EGBELO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000361057148 457551866 /nfs/dbraw/zinc/55/18/66/457551866.db2.gz KZQQFWTVSGXSTI-CYBMUJFWSA-N 1 2 330.363 3.012 10 5 EGBELO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000366610829 457869044 /nfs/dbraw/zinc/86/90/44/457869044.db2.gz TVENORLYZZHCPT-MRXNPFEDSA-N 1 2 342.399 3.487 10 5 EGBELO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000434791395 458052586 /nfs/dbraw/zinc/05/25/86/458052586.db2.gz CLVVJFCNEPZUGZ-ROUUACIJSA-N 1 2 340.379 3.474 10 5 EGBELO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000434791395 458052590 /nfs/dbraw/zinc/05/25/90/458052590.db2.gz CLVVJFCNEPZUGZ-ROUUACIJSA-N 1 2 340.379 3.474 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494144462 458632436 /nfs/dbraw/zinc/63/24/36/458632436.db2.gz HCQUBMFLVBXNMP-UHFFFAOYSA-N 1 2 343.383 3.041 10 5 EGBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494144462 458632441 /nfs/dbraw/zinc/63/24/41/458632441.db2.gz HCQUBMFLVBXNMP-UHFFFAOYSA-N 1 2 343.383 3.041 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000547295494 458715949 /nfs/dbraw/zinc/71/59/49/458715949.db2.gz QQBFESPNIIGILX-HNNXBMFYSA-N 1 2 349.362 3.130 10 5 EGBELO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000547295494 458715955 /nfs/dbraw/zinc/71/59/55/458715955.db2.gz QQBFESPNIIGILX-HNNXBMFYSA-N 1 2 349.362 3.130 10 5 EGBELO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595816845 459451492 /nfs/dbraw/zinc/45/14/92/459451492.db2.gz YGOLQPDFUVUACG-LBPRGKRZSA-N 1 2 330.388 3.005 10 5 EGBELO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595816845 459451496 /nfs/dbraw/zinc/45/14/96/459451496.db2.gz YGOLQPDFUVUACG-LBPRGKRZSA-N 1 2 330.388 3.005 10 5 EGBELO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1CC(F)F ZINC000542048032 459522832 /nfs/dbraw/zinc/52/28/32/459522832.db2.gz WNLWWNREYJWOQG-LBPRGKRZSA-N 1 2 347.793 3.410 10 5 EGBELO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1CC(F)F ZINC000542048032 459522837 /nfs/dbraw/zinc/52/28/37/459522837.db2.gz WNLWWNREYJWOQG-LBPRGKRZSA-N 1 2 347.793 3.410 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000589494280 460095182 /nfs/dbraw/zinc/09/51/82/460095182.db2.gz HNMRGLSVSAJMOP-INIZCTEOSA-N 1 2 329.356 3.047 10 5 EGBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000589494280 460095188 /nfs/dbraw/zinc/09/51/88/460095188.db2.gz HNMRGLSVSAJMOP-INIZCTEOSA-N 1 2 329.356 3.047 10 5 EGBELO CC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000589505111 460097217 /nfs/dbraw/zinc/09/72/17/460097217.db2.gz RDYVEWMTWQIVCE-CYBMUJFWSA-N 1 2 349.412 3.387 10 5 EGBELO O=[N+]([O-])c1c(NCCCOC[C@@H]2CCCO2)ccc2c[nH+]ccc21 ZINC000599019023 460128216 /nfs/dbraw/zinc/12/82/16/460128216.db2.gz ASXOJWXUKSJBTB-AWEZNQCLSA-N 1 2 331.372 3.141 10 5 EGBELO CC[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000598249299 460221258 /nfs/dbraw/zinc/22/12/58/460221258.db2.gz HWOWDHQCVUKVML-QGZVFWFLSA-N 1 2 328.372 3.089 10 5 EGBELO COc1cc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000614923810 460245729 /nfs/dbraw/zinc/24/57/29/460245729.db2.gz FRURPJAJBGQSKY-AWEZNQCLSA-N 1 2 348.321 3.147 10 5 EGBELO COc1cc(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000614923810 460245732 /nfs/dbraw/zinc/24/57/32/460245732.db2.gz FRURPJAJBGQSKY-AWEZNQCLSA-N 1 2 348.321 3.147 10 5 EGBELO CCN1C[C@H](C[N@H+](C)Cc2csc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000603933566 460360762 /nfs/dbraw/zinc/36/07/62/460360762.db2.gz QIOPKSUJLMUBCF-AWEZNQCLSA-N 1 2 347.440 3.376 10 5 EGBELO CCN1C[C@H](C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000603933566 460360766 /nfs/dbraw/zinc/36/07/66/460360766.db2.gz QIOPKSUJLMUBCF-AWEZNQCLSA-N 1 2 347.440 3.376 10 5 EGBELO Cc1cc(C)c([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000611615814 460414315 /nfs/dbraw/zinc/41/43/15/460414315.db2.gz GPOOUUWZMZJHQG-UHFFFAOYSA-N 1 2 327.388 3.083 10 5 EGBELO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)CC2 ZINC000611764383 460455706 /nfs/dbraw/zinc/45/57/06/460455706.db2.gz QDQOLUAZUNHHDJ-UHFFFAOYSA-N 1 2 330.388 3.297 10 5 EGBELO O=C(NCC[C@H]1CC=CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600392570 460488781 /nfs/dbraw/zinc/48/87/81/460488781.db2.gz HVJRSMDECNKWQD-AWEZNQCLSA-N 1 2 340.383 3.257 10 5 EGBELO O=C(NC/C=C/c1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171992937 546997195 /nfs/dbraw/zinc/99/71/95/546997195.db2.gz VTLMZOBGJFUSKI-QPJJXVBHSA-N 1 2 348.362 3.224 10 5 EGBELO O=C(NCC1CCC(F)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592722209 548104169 /nfs/dbraw/zinc/10/41/69/548104169.db2.gz NRXMHBFZNCJWBE-UHFFFAOYSA-N 1 2 346.362 3.039 10 5 EGBELO Cc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000871920895 1296612527 /nfs/dbraw/zinc/61/25/27/1296612527.db2.gz KHFPXVPVQWKWJJ-GOSISDBHSA-N 1 2 339.395 3.013 10 5 EGBELO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872043643 1296692138 /nfs/dbraw/zinc/69/21/38/1296692138.db2.gz JPVIGRIPTNHAEQ-IUODEOHRSA-N 1 2 343.358 3.190 10 5 EGBELO C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872086558 1296725589 /nfs/dbraw/zinc/72/55/89/1296725589.db2.gz AAAWNEKHETWIDD-QMMMGPOBSA-N 1 2 346.284 3.337 10 5 EGBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895347200 1309291353 /nfs/dbraw/zinc/29/13/53/1309291353.db2.gz QVEFCLIRQZXQNR-UHFFFAOYSA-N 1 2 340.383 3.273 10 5 EGBELO CC(C)C[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)n1cc[nH+]c1 ZINC000923761770 1322804791 /nfs/dbraw/zinc/80/47/91/1322804791.db2.gz SNZMYEGMTVVQPY-CQSZACIVSA-N 1 2 327.344 3.477 10 5 EGBELO C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1c(F)cccc1[N+](=O)[O-] ZINC000926927887 1327780618 /nfs/dbraw/zinc/78/06/18/1327780618.db2.gz VVGKTYIDSWNTSQ-QMMMGPOBSA-N 1 2 346.284 3.337 10 5 EGBELO C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197135113 1368752225 /nfs/dbraw/zinc/75/22/25/1368752225.db2.gz GSSKYMVENXFEBN-MEDUHNTESA-N 1 2 349.337 3.361 10 5 EGBELO O=C(NCC12CCC(CC1)C2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127612767 1373147989 /nfs/dbraw/zinc/14/79/89/1373147989.db2.gz WSWIREACPJGCEJ-UHFFFAOYSA-N 1 2 340.383 3.091 10 5 EGBELO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCNc1cccc[nH+]1 ZINC001162004314 1382596784 /nfs/dbraw/zinc/59/67/84/1382596784.db2.gz ISJSYJVHESCZBY-UHFFFAOYSA-N 1 2 343.774 3.137 10 5 EGBELO Cn1c(SCc2cc[nH+]c(N)c2)nc2cc3ccccc3cc2c1=O ZINC001165297593 1383268525 /nfs/dbraw/zinc/26/85/25/1383268525.db2.gz VPHHJEDLJISZBP-UHFFFAOYSA-N 1 2 348.431 3.356 10 5 EGBELO COc1ccc(CN2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)cc1[N+](=O)[O-] ZINC001308069874 1384084589 /nfs/dbraw/zinc/08/45/89/1384084589.db2.gz BXMMKEYNGHWTFM-AWEZNQCLSA-N 1 2 330.388 3.280 10 5 EGBELO CC[N@H+](CCNC(=O)C(C)=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001731800853 1427962995 /nfs/dbraw/zinc/96/29/95/1427962995.db2.gz HKPCTOGPONQXDH-UHFFFAOYSA-N 1 2 337.445 3.095 10 5 EGBELO CC[N@@H+](CCNC(=O)C(C)=C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001731800853 1427962997 /nfs/dbraw/zinc/96/29/97/1427962997.db2.gz HKPCTOGPONQXDH-UHFFFAOYSA-N 1 2 337.445 3.095 10 5 EGBELO